diff --git a/APP_USAGE.md b/APP_USAGE.md new file mode 100644 index 0000000..d32ef31 --- /dev/null +++ b/APP_USAGE.md @@ -0,0 +1,33 @@ +Crossfiltering user interactive workflow: + +1. Looks at the periodic table and structure widget + +2. Selects the structure widget + * updates the elements that can be selected get highlighted. + +3. Selects the element widget (periodic table) + * updates the property choices, code, exchange that can + be selected in the respective widgets + +4. Selects the property widget + * updates the code widget (will remain the same mostly) + +5. Selects the code widgets + * updates the exchange widget + +6. Selects the exchange widgets + * final selection, updates the plottables (mostly fixed) + - value vs. k-point density + - value_error vs + + this means + x = ['k-point density', 'value', 'value_error'] + +7. Selects the plottables for x-y, in future x-y-z + - options are values vs. k-point + - update what statistical tools can be used on the data + - update what plot types are available too + +8. Selects plot type + * histogram for data in the database of the chosen specs + * scatter diff --git a/SETUP.md b/SETUP.md index 7730e8b..c01baf4 100644 --- a/SETUP.md +++ b/SETUP.md @@ -8,7 +8,7 @@ environment where we will install all the paltform dependencies. We recommand that you have three terminal windows to run these following sections. Each will producing a trace in the terminal that you might want -to look into. All three of them are servers and will not return the +to look into. All three of them are servers and will not return the terminal input unless you detach them with '&'. Every section commands should be run after activating the environment we just created. @@ -43,7 +43,7 @@ Then run it. $ pip install -r requirements.txt $ python run.py --host 0.0.0.0 --port 7000 -In a browser go to [API data entry](http://0.0.0.0:7000/bench/push/csv). +In a browser go to [API data entry](http://0.0.0.0:7000/bench/push/csv). This is the api frontend for uploading the dft data. Click on 'Choose File' and navigate to: dft-crossfilter/benchmark/data/francesca_data_full.csv. This will push this dft data set into the mongodb database 'benchmark-production'. @@ -51,6 +51,16 @@ To test it out go to [Data description dictionnary](http://0.0.0.0:7000/bench/de ## bokeh setup +(under testing but this should work, it worked on anaconda on windows) + + $ conda install bokeh + $ cd benchmark-view + $ bokeh serve crossfilter_app --show + +This should automatically start a browser window with the app rendered on it, this can be +host - port tuned later. + +(old setup which may not be necessary now) At this point you are set for the data access part. For the visualizatio part you will have to build this modified bokeh snapshot. You will need to have gulp installed. When asked, select the full install with the option: diff --git a/benchmark-api/requirements.txt b/benchmark-api/requirements.txt index c384b5b..f548836 100644 --- a/benchmark-api/requirements.txt +++ b/benchmark-api/requirements.txt @@ -5,13 +5,13 @@ Flask-Mongoengine==0.7.1 Flask-Wtf==0.11 Flask-Testing==0.4.2 Pymongo==2.8 -Twill==1.8.0 +#Twill==1.8.0 Cssselect==0.9.1 Mongoengine==0.8.7 Nose==1.3.4 Werkzeug==0.9.6 itsdangerous==0.24 -wsgiref==0.1.2 +#wsgiref==0.1.2 Requests==2.4.1 hurry.filesize == 0.9 -python-daemon==2.0.1 \ No newline at end of file +#python-daemon==2.0.1 diff --git a/benchmark-db/requirements.txt b/benchmark-db/requirements.txt index ed62451..ba793f2 100644 --- a/benchmark-db/requirements.txt +++ b/benchmark-db/requirements.txt @@ -1,11 +1,11 @@ Docopt==0.6.2 Pymongo==2.8 -Twill==1.8.0 +#Twill==1.8.0 Cssselect==0.9.1 Mongoengine==0.8.7 Nose==1.3.4 Werkzeug==0.9.6 itsdangerous==0.24 -wsgiref==0.1.2 +#wsgiref==0.1.2 Requests==2.4.1 -Click==3.3 \ No newline at end of file +Click==3.3 diff --git a/benchmark-view/Big_Picture_To_Do.md b/benchmark-view/Big_Picture_To_Do.md index 692521b..dc2832c 100644 --- a/benchmark-view/Big_Picture_To_Do.md +++ b/benchmark-view/Big_Picture_To_Do.md @@ -1,8 +1,7 @@ What we want to do in this branch: - "create a flask app using the new bokeh server that runs on Apache and can render an Iframe from Shiny R" - - - which uses bokeh's crossfilter model classes (that makes use of pandas dataframe tools) + create a flask app using the new bokeh server that runs on Apache and can render an Iframe from Shiny R + - which uses bokehs crossfilter model classes (that makes use of pandas dataframe tools) to crossfilter data - use the new bokeh server to interact directly with the REST api of benchmark-db - use Shiny R to create html that can be Iframed into python served bokeh app for the data analysis. @@ -21,3 +20,8 @@ What we want to do in this branch: statistics. - an about page linked that summarizes the project - a contact page linked that summarizes whom to contact + + ** widgets + - plotting checkboxes (log ? ) + - zoom/pan/download + - text entry of queries diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/Pade.py b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/Pade.py new file mode 100644 index 0000000..c2076f7 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/Pade.py @@ -0,0 +1,212 @@ +## python script to crossfilter out and run Pade approximation on a database +## inputs : Pade script nls.R, +## and one of database source csv or path to crossfiltered named +## files +## the necessary details to fit a Pade approximation for +## variety of functions. + +import pandas as pd +import numpy as np +import os +from glob import glob +import sys + +def crossfilters(database): + """ + crossfilter out completely a collection + """ + database = database #pd.read_csv('MainCollection.csv') + + # crossfilter down to VASP's fcc Nb Bulk modulus + + names = [] + + codes = np.unique(database['code']) + + for c in codes: + code = database[database['code']==c] + structures = np.unique(code['structure']) + for struct in structures: + struct_code = code[code['structure']==struct] + exchanges = np.unique(struct_code['exchange']) + for ex in exchanges: + ex_struct_code = struct_code[struct_code['exchange']==ex] + elements = np.unique(ex_struct_code['element']) + for el in elements: + el_ex_struct_code = ex_struct_code[ex_struct_code['element']==el] + properties = el_ex_struct_code['property'] + for pr in properties: + pr_el_ex_struct_code = el_ex_struct_code[el_ex_struct_code['property']==pr] + + prop = list(pr_el_ex_struct_code['value']) + kpts = list(pr_el_ex_struct_code['k-point']) + + k_atom = [ k**3 for k in kpts ] + + Pade_df = pd.DataFrame({'Kpts_atom': k_atom, 'P': prop}) + + TAG = {'element':el, + 'structure':struct, + 'exchange':ex, + 'code':c, + 'property':pr} + + NAME = '_'.join([pr, el, ex, struct, c])+'.csv' + names.append( (NAME,TAG) ) + print ("Writing {} ..".format(NAME)) + Pade_df.to_csv('Crossfilts/'+NAME, index=False) + + return names + + +def read_crossfilts_from_file(filename): + """ + reads the crossfiltered file and also decomposes the filename + into the tags and sends the crossfilt and the tags + """ + + if len(filename[11:-4].split('_')) == 6: + pr, el, ex, _, struct, c = filename[11:-4].split('_') + ex = '_'.join([ex,_]) + else: + pr, el, ex, struct, c = filename[11:-4].split('_') + + tags = {'element': el, + 'property': pr, + 'exchange': ex, + 'code': c, + 'structure':struct} + return filename, tags + +def run_pade_through_R(rscript, crossfilt, tags): + """ + runs the Pade through a python subprocess call to nls.R + on the input crossfilt + - copies the input to Rdata.csv for input to nls.R + - retrieves the output of nls.R that is pasted out into csv file + that can be read back into pandas + .. element, structure, exchange, code, property, extrapolate, fit error + which can serve as another reference collection for calculation of + the precision from the main database. + """ + + result = {'element':tags['element'], + 'structure':tags['structure'], + 'exchange':tags['exchange'], + 'code':tags['code'], + 'property':tags['property']} + + os.system('cp {} Rdata.csv'.format(crossfilt)) + # for making the first database + # os.system('cp Crossfilts/{} Rdata.csv'.format(crossfilt)) + # os.mkdir(crossfilt) + #os.chdir(crossfilt) + #os.system('cp ../{} Rdata.csv'.format(crossfilt)) + #os.system('cp ../{0} {0}'.format(rscript)) + + print ('copied {}'.format(crossfilt)) + + try: + os.system('Rscript {}'.format(rscript)) + print ('R executed') + R_result = pd.read_csv('Result.csv') + key = list(R_result['Error']).index(min(list(R_result['Error']))) + result['extrapolate'] = list(R_result['Extrapolate'])#[key] + result['best_extrapolate'] = list(R_result['Extrapolate'])[key] + result['best_error'] = list(R_result['Error'])[key] + result['best_order'] = list(R_result['Order'])[key] + result['fit_error'] = list(R_result['Error'])#[key] + result['pade_order'] = list(R_result['Order'])#[key] + #result['precision'] = list(R_result['Precisions']) + print ("R success") + + except: + print ("R failure") + result['best_extrapolate'] = 'xxx' + result['best_error'] = 'xxx' + result['best_order'] = 'xxx' + result['extrapolate'] = 'xxx' + result['fit_error'] = 'xxx' + result['pade_order'] = 'xxx' + + # os.chdir('../') + #print (result, type(result)) + #pade_result = pd.DataFrame(result) + + return result + + + +if __name__=='__main__': + """ + calculate the fit for a given crossfiltered set + for different Pade sets + + first Milestone - one crossfiltered set : + Nb B for m+n orders (m, n =2-4) .. output file Pade.csv + + + """ + + #database_path = 'MainCollection_v2moreclean.csv' + + rscript = 'hennig_nls.R'#'nls_kpts_choices.R' + database_path = None + crossfilts_path = 'Crossfilts/*.csv' + #crossfilts_path = None + + output_filename = 'Pade_extrapolates_v2.csv'#'Pade_kpts_choices_leave3_10.csv' + + if database_path: + print ("Performing crossfiltering on {}..".format(database_path)) + filetags = crossfilters(pd.read_csv(database_path)) + elif crossfilts_path: + print ("Reading crossfilters from {}..".format(crossfilts_path)) + filetags = [read_crossfilts_from_file(f) for f in glob(crossfilts_path) ] + length_crossfilts = len(filetags) + else: + print ('input not provided') + sys.exit(0) + + records = [] + + print ("Running Pade..") + + for n, (f,t) in enumerate(filetags): + print ("Running through {0} of {1}".format(n, length_crossfilts)) + records.append( run_pade_through_R(rscript, f, t) ) + + Pade_analysis= pd.DataFrame({'element': [r['element'] for r in records], + 'structure': [r['structure'] for r in records], + 'exchange': [r['exchange'] for r in records], + 'code': [r['code'] for r in records], + 'property': [r['property'] for r in records], + 'best_extrapolate': [r['best_extrapolate'] for r in records], + 'best_error': [r['best_error'] for r in records], + 'best_order': [r['best_order'] for r in records], + 'extrapolate': [r['extrapolate'] for r in records], + 'fit_error': [r['fit_error'] for r in records], + 'pade_order': [r['pade_order'] for r in records] }) + +# pade_analysis = pd.concat(records) + + # remove the index and duplicates + + print ("Writing out Pade analysis... ") + + Pade_analysis.to_csv(output_filename) + + Pade_analysis = pd.read_csv(output_filename) + + del Pade_analysis['Unnamed: 0'] + + Pade_analysis.drop_duplicates(inplace=True) + + Pade_analysis.to_csv(output_filename) + + + + + + + diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/README.md b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/README.md new file mode 100644 index 0000000..4c59368 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/README.md @@ -0,0 +1,13 @@ +Sequence of data processing to widget activated analysis and plotting + +* Pade.py run in crossfilter mode on main collecrtion + +* Pade.py run in Pade extrapolate mode -> intermediate Pade_extrapolates.csv file + +* create_precisions.py run to calculate numerical precisions from the Pade_extrapolates and Main collection files + +* calculate power law fits with histogram_debug.py + +* plot histogram for complete dataset with histogram_percs_plotter.py + +* transform for creating k-points densoity choice recommendations diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/create_precisions.py b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/create_precisions.py new file mode 100644 index 0000000..59ff590 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/create_precisions.py @@ -0,0 +1,142 @@ +# script to crossfilter each the extrapolates file and the main data file tio +# create a file containing the precisions + +## INPUTS +import pandas as pd +import numpy as np +import sys +import os +import getopt + +main_file = pd.read_csv('MainCollection_v2moreclean.csv') +extrapolates = pd.read_csv('Pade_extrapolates_v2.csv') #pd.read_csv('Pade_w3_r1.csv')#pd.read_csv('Pade_final.csv') + +def CLI(argv): + inputfile = '' + outputfile= '' + try: + opts, args = getopt.getopt(argv,"hi:o:",["ifile=", "ofile="]) + print (opts, args) + except getopt.GetoptError: + print ('check inputs') + sys.exit(2) + for opt, arg in opts: + if opt == '-h': + print ('python kpoints_choices_plot.py -i -o ') + sys.exit() + elif opt in ("-i", "--ifile"): + inputfile = arg + elif opt in ("-o"): + outputfile = arg + print ('Input file is "', inputfile) + return inputfile, outputfile + +def crossfilter(database, tags): + """ + crossfilter based on the tags input + """ + tag1_database = database[database['code']==tags['code']] + tag2_database = tag1_database[tag1_database['exchange']==tags['exchange']] + tag3_database = tag2_database[tag2_database['element']==tags['element']] + tag4_database = tag3_database[tag3_database['structure']==tags['structure']] + tag5_database = tag4_database[tag4_database['property']==tags['property']] + + return tag5_database + +if __name__=='__main__': + + #extrapolates_file, out_file = CLI(sys.argv[1:]) + #extrapolates = pd.read_csv(extrapolates_file) + out_file = 'main_with_precs_v2.csv' + withprecs = { } + frames = [] + + for c in np.unique(main_file['code']): + code = main_file[main_file['code']==c] + for e in np.unique(code['exchange']): + exch = code[code['exchange']==e] + for el in np.unique(exch['element']): + elem = exch[exch['element']==el] + for st in np.unique(elem['structure']): + struct = elem[elem['structure']==st] + for p in np.unique(struct['property']): + prop = struct[struct['property']==p] + val = prop['value'] + + tags = {'code': c, + 'exchange': e, + 'element': el, + 'structure': st, + 'property': p} + + extdb = crossfilter(extrapolates, tags) + #print ("HERE") + #print (tags) + print (extdb.columns) + + try: + #print ("AND HERE") + #print (extdb['extrapolate']) + try: + print (len(extdb['best_extrapolate'])) + ext = float(extdb['best_extrapolate']) + err = float(extdb['best_error']) + order = float(extdb['best_order']) + print ("passed getting extrapolate") + except: + ext_list=[e.replace('[','').replace(']','').replace(' ','').split(',') for e in extdb['extrapolate']] + errors_list=[e.replace('[','').replace(']','').replace(' ','').split(',') for e in extdb['fit_error']] + print (ext_list, errors_list) + ext_floats = [float(e) for e in ext_list[0]] + err_floats = [float(e) for e in errors_list[0]] + print (len(ext_floats), len(err_floats)) + err = min(err_floats) + order = float(extdb['best_order']) + ext = ext_floats[err_floats.index(min(err_floats))] +# ext = len(extdb['extrapolate'])#.replace('[','').replace(']','').split(',') + + # ext = extdb['extrapolate'][list(extdb['fit_error']).index(min(list(extdb['fit_error'])))] + #ext = ext[0] + #print (type(ext), len(ext), ext[0]) + exts = [ ext for v in list(prop['value']) ] + errs = [ err for v in list(prop['value']) ] + orders = [ order for v in list(prop['value']) ] + prec = [ (abs(v - ext)/ext) * 100.0 for v in list(prop['value']) ] + prec_r = [ ((v - ext)/ext) * 100.0 for v in list(prop['value']) ] + + withprecs['precision'] = prec_r + withprecs['perc_precisions'] = prec + withprecs['extrapolate'] = exts + withprecs['extrapolate_err'] = errs + withprecs['pade_order'] = orders + + fins = {'code':[tags['code'] for i in prec], + 'exchange':[tags['exchange'] for e in prec], + 'element':[tags['element'] for i in prec], + 'structure':[tags['structure'] for i in prec], + 'property':[tags['property'] for i in prec], + 'k-point': list(prop['k-point']), + 'value': list(prop['value']), + 'value_error': list(prop['value_error']), + 'energy': list(prop['energy']), + 'volume': list(prop['volume']), + 'calculations_type': list(prop['calculations_type']), + 'bz_integration': list(prop['bz_integration'])} + + withprecs.update(fins) + + f = pd.DataFrame(withprecs) + frames.append(f) + + withprecs = {} + + + except: + print ('no extrapolate') + +# if list(extdb['extrapolate'])[0]!='xxx': + + + R = pd.concat(frames) + #R.to_csv('PadePrecs_final_fix.csv') + R.to_csv(out_file) diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/hennig_nls.R b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/hennig_nls.R new file mode 100644 index 0000000..9cb7d94 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/hennig_nls.R @@ -0,0 +1,141 @@ +#x11(width=1, height=1) # X11 Plot dimensions +library(minpack.lm) # Load the minpack.lm package + +mydata = read.csv("Rdata.csv") # Read CSV data file +x<-mydata$Kpts_atom # Select the kpoints atom density +y<-mydata$P + +dy<-mydata$P_err # Select the ground state energy E0 + +l = length(x) # Length of data set for down selection +l1 = 3 # Number of data points to be removed from beginning +l2 = 0 # Number of data points to be removed from end + +precs = list() +predicts = list() +extrapolates = c() +errors = c() +orders = c() + +result <- tryCatch({ +# 1th order modified Pade +m<-nlsLM(y~(a1*x)/(b0+x), start = list(a1=y[l], b0=1), subset = l1:l-l2, weights = x^3 * dy^-1) +m1=m +#par(mfrow=c(1,2)) +extrapol = coef(m)[1] +#plot(x,y, lty=2,col="black",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, y-extrapol, col="black", ylim=c(-0.5, 0.5)) +#lines(x[l1:l-l2], predict(m)-extrapol, type="l", lty=2, col="red",lwd=3, log="") +#lines(x[l1:l-l2],abs(predict(m)-extrapol),lty=2,col="red",lwd=3) +summary(m) # Report summary of fit, values and error bars + +orders = append(orders, 1) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[1, "Std. Error"]) + +precs[[length(precs)+1]] <- predict(m)-extrapol +predicts[[length(predicts)+1]] <- predict(m) + +#precs = append(precs, predict(m)-extrapol) +#predicts = append(predicts, predict(m)) + + +# 2nd order Pade +m<-nlsLM(y~(a1*x+a2*x^2)/(b0+b1*x+x^2), start = list(a1 = coef(m)[1], a2 = coef(m)[1], b0 = coef(m)[2], b1 = 1.0), subset = l1:l-l2, weights = x^3 * dy^-1) +m2=m + +#par(mfrow=c(1,2)) +extrapol = coef(m)[2] +#plot(x,y, lty=2,col="blue",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, abs(y-extrapol), log="y") +#lines(x[l1:l-l2],predict(m)-extrapol,lty=2,col="green",lwd=3) +summary(m) # Report summary of fit, values and error bars + +orders = append(orders, 2) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[2, "Std. Error"]) +precs[[length(precs)+1]] <- predict(m)-extrapol +predicts[[length(predicts)+1]] <- predict(m) + + +# 3rd order Pade +m<-nlsLM(y~(a0+a1*x+a2*x^2+a3*x^3)/(b0+b1*x+b2*x^2+x^3), start = list(a0 = coef(m)[1], a1 = coef(m)[2], a2 = coef(m)[3], a3 = coef(m)[3], b0 = coef(m)[4], b1 = coef(m)[5], b2 = 1.0), subset = l1:l-l2, weights = x^3 * dy^-1) +m3=m +#par(mfrow=c(1,2)) +extrapol = coef(m)[4] +#plot(x,y, lty=2,col="blue",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, abs(y-extrapol), log="y") +#lines(x[l1:l-l2],abs(predict(m)-extrapol),lty=2,col="blue",lwd=3) +summary(m) # Report summary of fit, values and error bars + + +orders = append(orders, 3) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[4, "Std. Error"]) +precs[[length(precs)+1]] <- predict(m)-extrapol +predicts[[length(predicts)+1]] <- predict(m) + + +# 4th order Pade +m<-nlsLM(y~(a0+a1*x+a2*x^2+a3*x^3+a4*x^4)/(b0+b1*x+b2*x^2+b3*x^3+x^4), start = list(a0 = coef(m)[1], a1 = coef(m)[2], a2 = coef(m)[3], a3 = coef(m)[4], a4=coef(m)[4], b0 = coef(m)[5], b1 = coef(m)[6], b2 = coef(m)[7], b3 = 1.0), subset = l1:l-l2, weights = x^3 * dy^-1) +m4=m +#par(mfrow=c(1,2)) +extrapol = coef(m)[5] +#plot(x,y, lty=2,col="blue",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, abs(y-extrapol), log="y") +#lines(x[l1:l-l2],abs(predict(m)-extrapol),lty=2,col="black",lwd=3) +summary(m) # Report summary of fit, values and error bars + + +orders = append(orders, 4) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[4, "Std. Error"]) + +precs[[length(precs)+1]] <- predict(m)-extrapol +predicts[[length(predicts)+1]] <- predict(m) + + +print (paste(predict(m)-extrapol), length(predict(m)-extrapol)) +anova(m1,m2,m3,m4) +}, error = function(err){ + +print(paste("error found at ", err)) +} +) + +#print(paste(result)) + +summary(m) + +#std_err= coef(summary(m))[order+1, "Std. Error"] + +#print(paste(std_err, order, extrapolate)) +#print (paste(predict(m)-extrapol)) + +#print (paste(predict(m))) +#print(paste(precs)) +predicts +errors +#length(extrapolates) +output = data.frame(Order = orders, Extrapolate = extrapolates, Error=errors)# Precisions = list(precs), Predicts=list(predicts)) +write.csv(output, 'Result.csv') + + +pade1 <- function(x) { + pade <- (a0+a1*x)/(b0+x) + return(pade) +} + +a0 = y[l] +a1 = y[l] +b0 = 1 +plot(x,y, lty=2,col="red",lwd=3) +lines(x,pade1(x)) diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/histogram_debug.py b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/histogram_debug.py new file mode 100644 index 0000000..c0d4228 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/histogram_debug.py @@ -0,0 +1,472 @@ +import matplotlib.pyplot as plt +import os +#gaussian_numbers = np.random.randn(1000) +# slope m and intercept a +import numpy as np +import pandas as pd +from scipy.optimize import curve_fit + +def myPowFunc(x, a, b): + return a * np.power(x, b) + +def myExpFunc(x,a,b): + return a*np.exp(b*x) + +def myLinFunc(x,a,b): + return a*x+b + +def plot_all_together(name, a0, B, dB): + """ + plot everything on one plot + """ + + plt.scatter(a0['x'], a0['y'], marker = ".", color='black', label=None) + plt.scatter(B['x'], B['y'], marker = "*", color='blue', label=None) + plt.scatter(dB['x'], dB['y'], marker = "v", color='red', label=None) + + try: + ax = plt.gca() + ax.set_xscale('log') + ax.set_yscale('log') + ax.set_xlabel('\sigma_{E} in meV/atom') + ax.set_ylabel("$\sigma_{V_0}$, $\sigma_{B}$, $\sigma_{B'}$ Precision in percent") + plt.plot(a0['x'], a0['f'], color='black', label='$\sigma_{V_0}$') + plt.plot(B['x'], B['f'], color='blue', label='$\sigma_{B}$') + plt.plot(dB['x'], dB['f'], color='red', label="$\sigma_{B'}$") + plt.xlim(min([min(a0['f']), min(B['f']), min(dB['f'])]), 10.0) + plt.legend() + plt.savefig('v2_'+name+'.pdf') + plt.close() + except: + print ("plot problems") + + +def regress_with_R(name, X,Y,rscript='regression_linear_model.R'): + """ + fits with R the variable X and Y according to + the model provided by the script + """ + + dframe = pd.DataFrame({'X':X,'Y':Y}) + dframe.to_csv('Rdata.csv', index=False) + try: + os.system('Rscript {}'.format(rscript)) + except: + print (name, 'warnings') + + try: + params = pd.read_csv('params.csv') + preds = pd.read_csv('predicts.csv') + plt.scatter(preds['x'], preds['y']) + ax = plt.gca() + ax.set_xscale('log') + ax.set_yscale('log') + plt.plot(preds['x'], preds['f'], color='red') + plt.savefig(name) + plt.close() + + except: + params = pd.DataFrame( {'C':[np.nan],'M':[np.nan],'C_err':[np.nan],'M_err':[np.nan]} ) + + return name, params['C'][0], params['C_err'][0], params['M'][0], params['M_err'][0], preds + + +def evalFit(X,Y,name, fit_type='loglog', p='dB'): + """ + examine if the fit makes sense + """ + plt.scatter(X,Y) + + try: + + if fit_type=='loglog': + + popt, pcov = curve_fit(myPowFunc, X, Y) + newX = np.logspace(-6, 1, base=10) + + plt.plot(newX, myPowFunc(newX, *popt), 'r-',\ + label="({0:.3f}*x**{1:.3f})".format(*popt)) + err = np.sqrt(np.diag(pcov)) + ax=plt.gca() + ax.set_xscale('log') + ax.set_yscale('log') + plt.savefig('_'.join([fit_type,p,name])) + plt.close() + + #print ("\tc = popt[0] = {0}\n\tm = popt[1] = {1}".format(*popt)) + #print("\tE_c = pcov[0] = {0}\n\tE_m = pcov[1] = {1}\n\tE_c = pcov[2] = {0}\n\tE_m = pcov[3] = {1}".format(*pcov)) + #print("Std.dev error is {}".format(np.sqrt(np.diag(pcov)))) + return name, fit_type, popt, err + + elif fit_type=='loglin': + + popt, pcov = curve_fit(myExpFunc, X, Y) + newX = np.logspace(-6, 1, base=10) + + plt.plot(newX, myPowFunc(newX, *popt), 'r-',\ + label="({0:.3f}*x**{1:.3f})".format(*popt)) + + ax=plt.gca() + ax.set_xscale('log') + #ax.set_yscale('log') + + err = np.sqrt(np.diag(pcov)) + #print ("\tc = popt[0] = {0}\n\tm = popt[1] = {1}".format(*popt)) + #print("\tE_c = pcov[0] = {0}\n\tE_m = pcov[1] = {1}\n\tE_c = pcov[2] = {0}\n\tE_m = pcov[3] = {1}".format(*pcov)) + #print("Std.dev error is {}".format(np.sqrt(np.diag(pcov)))) + plt.savefig('_'.join([fit_type,p,name])) + plt.close() + + return name, fit_type, popt, err + + elif fit_type=='linlin': + + popt, pcov = curve_fit(myLinFunc, X, Y) + newX = np.linspace(0.000001,10) + + plt.plot(newX, myLinFunc(newX, *popt), 'r-',\ + label="({0:.3f}*x**{1:.3f})".format(*popt)) + + #print ("\tc = popt[0] = {0}\n\tm = popt[1] = {1}".format(*popt)) + #print("\tE_c = pcov[0] = {0}\n\tE_m = pcov[1] = {1}\n\tE_c = pcov[2] = {0}\n\tE_m = pcov[3] = {1}".format(*pcov)) + #print("Std.dev error is {}".format(np.sqrt(np.diag(pcov)))) + err = np.sqrt(np.diag(pcov)) + plt.savefig('_'.join([fit_type,p,name])) + plt.close() + return name, fit_type, popt, err + + except: + print ('No linear extrapolate fit possible for {} {}'.format(p, name)) + plt.savefig('_'.join([fit_type,p,name])) + plt.close() + return None, None, [None,None], [None,None] + + + return name, fit_type, popt, err + + +# user specifies which property, which code, which exchange to view +codes = 'VASP' +exchs = 'PBE' + +# read in the Pade precision table with weight 4 +# crossfilter down by specified code and exchange + +#mydata = pd.read_csv('PadePrecs_final.csv') + +mydata=pd.read_csv('main_with_precs_v2.csv') +code = mydata[mydata['code']==codes] +#print (code['exchange']) +exch_code = code[code['exchange']==exchs] + +# variable definitions for fits and scatter data +dB_fits = { } + +v0_fits = { } + +B_fits = { } + +E_vasp_pbe = exch_code[exch_code['property']=='E0'] ## VASP +dB_vasp_pbe = exch_code[exch_code['property']=='dB'] +B_vasp_pbe = exch_code[exch_code['property']=='B'] +v0_vasp_pbe = exch_code[exch_code['property']=='v0'] + +# separate data by element first and then by structure to rename +# the data labels as element_structure +for el in np.unique(E_vasp_pbe['element']): + + el_v0_vasp_pbe = v0_vasp_pbe[v0_vasp_pbe['element']==el] + el_B_vasp_pbe = B_vasp_pbe[B_vasp_pbe['element']==el] + el_dB_vasp_pbe = dB_vasp_pbe[dB_vasp_pbe['element']==el] + el_E_vasp_pbe = E_vasp_pbe[E_vasp_pbe['element']==el] + + # split it down to structures by following + # the unique structures found for energy data so that + # element property is plotted against the same element + # property + for st in np.unique(el_E_vasp_pbe['structure']): + + st_el_v0_vasp_pbe = el_v0_vasp_pbe[el_v0_vasp_pbe['structure']==st] + st_el_B_vasp_pbe = el_B_vasp_pbe[el_B_vasp_pbe['structure']==st] + st_el_dB_vasp_pbe = el_dB_vasp_pbe[el_dB_vasp_pbe['structure']==st] + st_el_E_vasp_pbe = el_E_vasp_pbe[el_E_vasp_pbe['structure']==st] + + + if len(st_el_dB_vasp_pbe['perc_precisions'])==len(st_el_E_vasp_pbe['perc_precisions']): + + #count = count + 1 + name = '_'.join([st,el]) + # perform fit on data log(abs(perc_precision)) + print ('fitting dB for {}'.format(name)) + X = list(10*abs(st_el_E_vasp_pbe['perc_precisions'])) + Y = list(abs(st_el_dB_vasp_pbe['perc_precisions'])) + names = '_'.join(['R_dB',name]) + params_powR = regress_with_R(names,X,Y) + print ('TESTING With R') + print('{0} dB yields C= {1} +- {2} and M= {3} +- {4}'.format(*params_powR)) + #print ('Prediction curve {0}'.format(params_powR)) + dframe = pd.DataFrame({'X':X,'Y':Y}) + dframe.to_csv(name+'_dB_fits.csv', index=False) + params_powR[5].to_csv(name+'_dB_preds.csv') + + # do a log-log fit for the power law +# n, t, popt, err = evalFit(X,Y,name, fit_type='loglog', p='dB') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + # do a log-lin fit for the exponential law +# n, t, popt, err = evalFit(X,Y,name, fit_type='loglin', p='dB') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + # do a lin-lin fit for the linear fit +# n, t, popt, err = evalFit(X,Y,name, fit_type='linlin', p='dB') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + + dB_fits['_'.join([st,el])]=params_powR + + # test fits + #frame= pd.DataFrame({'X': abs(10*st_el_E_vasp_pbe['perc_precisions']), 'Y': abs(st_el_dB_vasp_pbe['perc_precisions'])}) + #frame.to_csv('fit_linear_log.csv') + # collect scatter pairs of + + if len(st_el_v0_vasp_pbe['perc_precisions'])==len(st_el_E_vasp_pbe['perc_precisions']): + + name = '_'.join([st,el]) + print ('fitting a0 for {}'.format(name)) + X = list(10*abs(st_el_E_vasp_pbe['perc_precisions'])) + Y = list(abs(st_el_v0_vasp_pbe['perc_precisions'])) + names = '_'.join(['R_v0',name]) + params_powR = regress_with_R(names, X,Y) + print ('TESTING With R') + print('{0} v0 yields C= {1} +- {2} and M= {3} +- {4}'.format(*params_powR)) + + dframe = pd.DataFrame({'X':X,'Y':Y}) + dframe.to_csv(name+'_v0_fits.csv', index=False) + params_powR[5].to_csv(name+'_v0_preds.csv') + + # do a log-log fit for the power law +# n, t, popt, err = evalFit(X,Y,name, fit_type='loglog', p='a0') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + # do a log-lin fit for the exponential law +# n, t, popt, err = evalFit(X,Y,name, fit_type='loglin', p='a0') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + # do a lin-lin fit for the linear fit +# n, t, popt, err = evalFit(X,Y,name, fit_type='linlin', p='a0') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + + v0_fits['_'.join([st,el])]=params_powR + + + if len(st_el_B_vasp_pbe['perc_precisions'])==len(st_el_E_vasp_pbe['perc_precisions']): + + name = '_'.join([st,el]) + # perform fit on data log(abs(perc_precision)) + print ('fitting B for {}'.format(name)) + X = list(10*abs(st_el_E_vasp_pbe['perc_precisions'])) + Y = list(abs(st_el_B_vasp_pbe['perc_precisions'])) + names = '_'.join(['R_B',name]) + params_powR = regress_with_R(names,X,Y) + print ('TESTING With R') + print('{0} B yields C= {1} +- {2} and M= {3} +- {4}'.format(name, *params_powR)) + + dframe = pd.DataFrame({'X':X,'Y':Y}) + dframe.to_csv(name+'_B_fits.csv', index=False) + params_powR[5].to_csv(name+'_B_preds.csv') + # do a log-log fit for the power law +# n, t, popt, err = evalFit(X,Y,name, fit_type='loglog', p='B') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + # do a log-lin fit for the exponential law +# n, t, popt, err = evalFit(X,Y,name, fit_type='loglin', p='B') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + # do a lin-lin fit for the linear fit +# n, t, popt, err = evalFit(X,Y,name, fit_type='linlin', p='B') +# print('{0} {1} yields parameter a {2} +- {3} and parameter b {4} +- {5}'.format(n,t,popt[0],err[0],popt[1],err[1])) + + B_fits['_'.join([st,el])]=params_powR + + +#print (dB_fits.keys()) + +#col = ['red','blue'] + +#print (dB_fits.keys()) +#print (B_fits.keys()) +#print (a0_fits.keys()) + +import matplotlib +#print (matplotlib.rcParams.keys()) +matplotlib.rcParams.update({'font.size': 18,'legend.fontsize':16, 'lines.markersize': 14}) + +#elem = 'fcc_Nb' +#try: +# for e in B_fits.keys(): +# elem_set = e, a0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] +# plot_all_together(*elem_set) +#except: +# for e in dB_fits.keys(): +# elem_set = e, a0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] +# plot_all_together(*elem_set) + + + +B_slope_m = [B_fits[k][3] for k in B_fits.keys()]#[ B_fits[k](1) - B_fits[k](0) for k in B_fits.keys() ] +B_slope_m_err = [B_fits[k][4] for k in B_fits.keys()] +#B_slope_eqn = [myLinFunc(B_fits[k][3], B_fits[k][1]) for k in B_fits.keys()] +B_names = [B_fits[k][0] for k in B_fits.keys()] + +v0_slope_m = [v0_fits[k][3] for k in v0_fits.keys()] #[ a0_fits[k](1) - a0_fits[k](0) for k in a0_fits.keys() ] +v0_slope_m_err = [v0_fits[k][4] for k in v0_fits.keys()] +v0_names = [v0_fits[k][0] for k in v0_fits.keys()] + +dB_slope_m = [dB_fits[k][3] for k in dB_fits.keys()]#[ dB_fits[k](1) - dB_fits[k](0) for k in dB_fits.keys() ] +dB_slope_m_err = [dB_fits[k][4] for k in dB_fits.keys()] +dB_names = [dB_fits[k][0] for k in dB_fits.keys()] + +meV_intercept = 0.001 +E_intercept = np.log(meV_intercept) + +v0_intercept_c = [v0_fits[k][1] for k in v0_fits.keys()]#[ a0_fits[k](0) for k in a0_fits.keys() ] +v0_intercept_c_err = [v0_fits[k][2] for k in v0_fits.keys()] +v0_intercept_x = [myLinFunc(E_intercept, v0_fits[k][3], v0_fits[k][1]) for k in v0_fits.keys()] + +B_intercept_c = [B_fits[k][1] for k in B_fits.keys()]#[ B_fits[k](0) for k in B_fits.keys() ] +B_intercept_c_err = [B_fits[k][2] for k in B_fits.keys()] +B_intercept_x = [myLinFunc(E_intercept, B_fits[k][3], B_fits[k][1]) for k in B_fits.keys()] + +dB_intercept_c = [dB_fits[k][1] for k in dB_fits.keys()]#[ dB_fts[k](0) for k in dB_fits.keys() ] +dB_intercept_c_err = [dB_fits[k][2] for k in dB_fits.keys()] +dB_intercept_x = [myLinFunc(E_intercept, dB_fits[k][3],dB_fits[k][1]) for k in dB_fits.keys()] + +limits_compare = [len(B_slope_m), len(dB_slope_m), len(v0_slope_m)] +print (limits_compare, min(limits_compare)) +l = min(limits_compare) +## saving the data on the slopes and intercepts + +DataSet = {'v0_names': v0_names[:l], + 'v0_M': v0_slope_m[:l], + 'v0_M_err':v0_slope_m_err[:l], + 'v0_C': v0_intercept_c[:l], + 'v0_C_err': v0_intercept_c_err[:l], + 'v0_x': v0_intercept_x[:l], + 'B_names': B_names[:l], + 'B_M': B_slope_m[:l], + 'B_M_err': B_slope_m_err[:l], + 'B_C': B_intercept_c[:l], + 'B_C_err': B_intercept_c_err[:l], + 'B_x': B_intercept_x[:l], + 'dB_names': dB_names[:l], + 'dB_M': dB_slope_m[:l], + 'dB_M_err': dB_slope_m_err[:l], + 'dB_C': dB_intercept_c[:l], + 'dB_C_err': dB_intercept_c_err[:l], + 'dB_x': dB_intercept_x[:l],} + +try: + for e in list(B_fits.keys())[:l]: + elem_set = e, v0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] + plot_all_together(*elem_set) +except: + for e in list(dB_fits.keys())[:l]: + elem_set = e, v0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] + plot_all_together(*elem_set) + +plaws = pd.DataFrame(DataSet) +#.to_csv('PowerLawPairs_test_2.csv',index=False) +# 'B_E': B_extraps, +# 'a0_E': a0_extraps, +# 'dB_E': dB_extraps } + +### plotting the histograms +#fig,ax = plt.subplots(2,1) +print (type(v0_slope_m), type(B_slope_m), type(dB_slope_m)) +#n, bins, patches = plt.hist(np.array([v0_slope_m, B_slope_m, dB_slope_m]).transpose()) +#corrected_plaws = plaws.drop([6,31,11,10]) + +B_plaws = plaws[abs(plaws['B_C'])<5.0] +dB_plaws = B_plaws[abs(B_plaws['dB_C'])<5.0] +corrected_plaws = dB_plaws[abs(dB_plaws['v0_C']<6.0)] + +corrected_plaws = plaws + +print (corrected_plaws) +corrected_plaws.to_csv('PowerLawPairs_test_all.csv') +n, bins, patches = plt.hist(np.array([corrected_plaws['v0_M'], corrected_plaws['B_M'], corrected_plaws['dB_M']]).transpose()) + +plt.setp(patches[0], color="black", label='$a_0$') +plt.setp(patches[1], color="blue", label='$B$') +plt.setp(patches[2], color="red", label="$B'$") + +plt.title("Sensitivity of Numerical Precision") +print (max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) +print (min([min(corrected_plaws['v0_M']), min(corrected_plaws['B_M']), min(corrected_plaws['dB_M'])])) +plt.xlim(0.0, max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) +plt.xlabel("Value of Slope $M$ (% per meV/atom)") +plt.ylabel("Number of Elements") +#plt.legend() + +plt.savefig('{0}_{1}_slopes.pdf'.format(codes, exchs)) +plt.close() +## Intercepts +#fig,ax = plt.subplots() + +#n, bins, patches = plt.hist(np.array([v0_intercept_c, B_intercept_c, dB_intercept_c]).transpose()) +n, bins, patches = plt.hist(np.array([corrected_plaws['v0_C'], corrected_plaws['B_C'], corrected_plaws['dB_C']]).transpose()) + +plt.setp(patches[0], color="black") +plt.setp(patches[1], color="blue") +plt.setp(patches[2], color="red") +plt.title("Numerical Precision at 1 meV/atom") +minx = min([min(corrected_plaws['v0_C']), min(corrected_plaws['B_C']), min(corrected_plaws['dB_C'])]) +maxx = max([max(corrected_plaws['v0_C']), max(corrected_plaws['B_C']), max(corrected_plaws['dB_C'])]) +print(minx, maxx) +labels = ['$10^{'+str(s)+'}$' for s in [-6+x for x in range(0,8)]] +#print (labels) +ax = plt.gca() +ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) +plt.xlim(-6,2) +plt.xlabel("Value of Intercept $C$ (%)") +plt.ylabel("Number of Elements") + +#plt.show() +plt.tight_layout() +plt.savefig('{0}_{1}_intercepts.pdf'.format(codes, exchs)) +plt.close() + + +n, bins, patches = plt.hist(np.array([corrected_plaws['v0_x'], corrected_plaws['B_x'], corrected_plaws['dB_x']]).transpose()) + +plt.setp(patches[0], color="black") +plt.setp(patches[1], color="blue") +plt.setp(patches[2], color="red") +plt.title("Numerical Precision at {} meV/atom".format(str(meV_intercept))) +minx = min([min(corrected_plaws['v0_x']), min(corrected_plaws['B_x']), min(corrected_plaws['dB_x'])]) +maxx = max([max(corrected_plaws['v0_x']), max(corrected_plaws['B_x']), max(corrected_plaws['dB_x'])]) +print(minx, maxx) +labels = ['$10^{'+str(s)+'}$' for s in [-6+x for x in range(0,8)]] +#print (labels) +ax = plt.gca() +ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) +plt.xlim(-8,2) +plt.xlabel("Value of $\sigma_{V_0}, \sigma_{B_0}, \sigma_{B'}$ (%)") +plt.ylabel("Number of Elements") + +#plt.show() +plt.tight_layout() +print ('use saved {0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV_intercept))) +plt.savefig('{0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV_intercept))) +plt.close() + + +print('finished!') + + + +#ax[1].xlim(0.0,1.0) + +#plt.xlabel("Value of intercept c") +#plt.ylabel("Number of elements") + +#plt.title("Sensitivity of Relative Numerical Precision") +#plt.xlim(0.0,1.0) +#plt.xlabel("Value of slope m") +#plt.ylabel("Number of elements") +#plt.show() diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/histogram_percs_plotter.py b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/histogram_percs_plotter.py new file mode 100644 index 0000000..27fd50f --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/histogram_percs_plotter.py @@ -0,0 +1,121 @@ +import matplotlib +matplotlib.rcParams.update({'font.size': 18,'legend.fontsize':16, 'lines.markersize': 18}) +import matplotlib.pyplot as plt + +import numpy as np +import pandas as pd + +codes = 'VASP' +exchs = 'LDA' + +corrected_plaws = pd.read_csv('PowerLawPairs_test_LDA.csv')#plaws + +total_elements = len(corrected_plaws['v0_names']) +#print (corrected_plaws) + +#corrected_plaws.to_csv('PowerLawPairs_test_v6.csv') +from matplotlib.ticker import FuncFormatter + + +def to_percent(y, position): + # Ignore the passed in position. This has the effect of scaling the default + # tick locations. + s = str(100 * y) + + # The percent symbol needs escaping in latex + if matplotlib.rcParams['text.usetex'] is True: + return s + r'$\%$' + else: + return s + '%' + +# Create the formatter using the function to_percent. This multiplies all the +# default labels by 100, making them all percentages +formatter = FuncFormatter(to_percent) + +my_hist_array = np.array([corrected_plaws['v0_M'], corrected_plaws['B_M'], corrected_plaws['dB_M']]).transpose() + +my_weights = np.ones_like(my_hist_array)/float(len(my_hist_array)) + +n, bins, patches = plt.hist(my_hist_array, weights=my_weights) +#print(patches[0], n, bins) +plt.setp(patches[0], color="black", label='$a_0$') +plt.setp(patches[1], color="blue", label='$B$') +plt.setp(patches[2], color="red", label="$B'$") + +plt.title("Sensitivity of Numerical Precision") +print (max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) +print (min([min(corrected_plaws['v0_M']), min(corrected_plaws['B_M']), min(corrected_plaws['dB_M'])])) +plt.xlim(0.0, max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) +plt.xlabel("Value of Slope $M$ (% per meV/atom)") +plt.ylabel("% of Elements") +#plt.legend() +plt.gca().yaxis.set_major_formatter(formatter) +plt.tight_layout() +#ax = plt.gca() +#print ('y limuts for M', ax.get_ylim()) +plt.savefig('stables_{0}_{1}_slopes.pdf'.format(codes, exchs)) +plt.savefig('PPt_stables_LDA_{0}_{1}_slopes.png'.format(codes, exchs)) +plt.close() +## Intercepts +#fig,ax = plt.subplots() + +my_hist_array = np.array([corrected_plaws['v0_C'], corrected_plaws['B_C'], corrected_plaws['dB_C']]).transpose() +weights = np.ones_like(my_hist_array)/float(len(my_hist_array)) + +n, bins, patches = plt.hist(my_hist_array, weights=weights) + +plt.setp(patches[0], color="black") +plt.setp(patches[1], color="blue") +plt.setp(patches[2], color="red") +plt.title("Numerical Precision at 1 meV/atom") +minx = min([min(corrected_plaws['v0_C']), min(corrected_plaws['B_C']), min(corrected_plaws['dB_C'])]) +maxx = max([max(corrected_plaws['v0_C']), max(corrected_plaws['B_C']), max(corrected_plaws['dB_C'])]) +print(minx, maxx) +labels = ['$10^{'+str(s)+'}$' for s in [-6+x for x in range(0,8)]] +#print (labels) +ax = plt.gca() +ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) +plt.xlim(-6,2) +plt.xlabel("Value of Intercept $C$ (%)") +plt.ylabel("% of Elements") + +#plt.show() +plt.gca().yaxis.set_major_formatter(formatter) +plt.tight_layout() +plt.savefig('stables_{0}_{1}_intercepts.pdf'.format(codes, exchs)) +plt.savefig('PPt_stables_LDA_{0}_{1}_intercepts.png'.format(codes, exchs)) +plt.close() + + +my_hist_array = np.array([corrected_plaws['v0_x'], corrected_plaws['B_x'], corrected_plaws['dB_x']]).transpose() +weights = np.ones_like(my_hist_array)/float(len(my_hist_array)) + +n, bins, patches = plt.hist(my_hist_array, weights=weights) + +plt.setp(patches[0], color="black") +plt.setp(patches[1], color="blue") +plt.setp(patches[2], color="red") +plt.title("Numerical Precision at {} meV/atom".format(str(meV_intercept))) +minx = min([min(corrected_plaws['v0_x']), min(corrected_plaws['B_x']), min(corrected_plaws['dB_x'])]) +maxx = max([max(corrected_plaws['v0_x']), max(corrected_plaws['B_x']), max(corrected_plaws['dB_x'])]) +print(minx, maxx, range(int(minx)-1, int(maxx)+1,1))#[int(minx)+x for x in range(0,int(maxx)-int(minx))]) +labels = ['$10^{'+str(s)+'}$' for s in range(int(minx)-1, int(maxx)+1,1)]#[int(minx)+x for x in range(0,int(maxx)-int(minx))]] +print (labels) +ax = plt.gca() +ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) +plt.xlim(int(minx)-1,int(maxx)+1) +plt.xlabel("Value of $\sigma_{V_0}, \sigma_{B_0}, \sigma_{B'}$ (%)") +plt.ylabel("Number of Elements") + +#plt.show() +plt.gca().yaxis.set_major_formatter(formatter) +plt.tight_layout() +print ('use saved v6_stables_{0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV_intercept))) +plt.savefig('LDA_stables_{0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV_intercept))) +plt.savefig('PPt_stables_LDA_{0}_{1}_intercepts_{2}.png'.format(codes, exchs, str(meV_intercept))) +plt.close() + + +print('finished!') diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/pade_nls.R b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/pade_nls.R new file mode 100644 index 0000000..5859d02 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/pade_nls.R @@ -0,0 +1,126 @@ +#x11(width=1, height=1) # X11 Plot dimensions +library(minpack.lm) # Load the minpack.lm package + +mydata = read.csv("Rdata.csv") # Read CSV data file +x<-mydata$Kpts_atom # Select the kpoints atom density +y<-mydata$P # Select the ground state energy E0 +l = length(x) # Length of data set for down selection +l1 = 3 # Number of data points to be removed from beginning +l2 = 0 # Number of data points to be removed from end + +precs = list() +predicts = list() +extrapolates = c() +errors = c() +orders = c() + +result <- tryCatch({ +# 1th order modified Pade +m<-nlsLM(y~(a1*x)/(b0+x), start = list(a1=y[l], b0=1), subset = l1:l-l2, weights = x^3) +m1=m +#par(mfrow=c(1,2)) +extrapol = coef(m)[1] +#plot(x,y, lty=2,col="black",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, y-extrapol, col="black", ylim=c(-0.5, 0.5)) +#lines(x[l1:l-l2], predict(m)-extrapol, type="l", lty=2, col="red",lwd=3, log="") +#lines(x[l1:l-l2],abs(predict(m)-extrapol),lty=2,col="red",lwd=3) +summary(m) # Report summary of fit, values and error bars + +orders = append(orders, 1) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[1, "Std. Error"]) +precs = append(precs, predict(m)-extrapol) +predicts = append(predicts, predict(m)) + + +# 2nd order Pade +m<-nlsLM(y~(a1*x+a2*x^2)/(b0+b1*x+x^2), start = list(a1 = coef(m)[1], a2 = coef(m)[1], b0 = coef(m)[2], b1 = 1.0), subset = l1:l-l2, weights = x^2) +m2=m + +#par(mfrow=c(1,2)) +extrapol = coef(m)[2] +#plot(x,y, lty=2,col="blue",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, abs(y-extrapol), log="y") +#lines(x[l1:l-l2],predict(m)-extrapol,lty=2,col="green",lwd=3) +summary(m) # Report summary of fit, values and error bars + +orders = append(orders, 2) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[2, "Std. Error"]) +precs = append(precs, predict(m)-extrapol) +predicts = append(predicts, predict(m)) + +# 3rd order Pade +m<-nlsLM(y~(a0+a1*x+a2*x^2+a3*x^3)/(b0+b1*x+b2*x^2+x^3), start = list(a0 = coef(m)[1], a1 = coef(m)[2], a2 = coef(m)[3], a3 = coef(m)[3], b0 = coef(m)[4], b1 = coef(m)[5], b2 = 1.0), subset = l1:l-l2, weights = x^3) +m3=m +#par(mfrow=c(1,2)) +extrapol = coef(m)[4] +#plot(x,y, lty=2,col="blue",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, abs(y-extrapol), log="y") +#lines(x[l1:l-l2],abs(predict(m)-extrapol),lty=2,col="blue",lwd=3) +summary(m) # Report summary of fit, values and error bars + + +orders = append(orders, 3) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[4, "Std. Error"]) +precs = append(precs, predict(m)-extrapol) +predicts = append(predicts, predict(m)) + +# 4th order Pade +m<-nlsLM(y~(a0+a1*x+a2*x^2+a3*x^3+a4*x^4)/(b0+b1*x+b2*x^2+b3*x^3+x^4), start = list(a0 = coef(m)[1], a1 = coef(m)[2], a2 = coef(m)[3], a3 = coef(m)[4], a4=coef(m)[4], b0 = coef(m)[5], b1 = coef(m)[6], b2 = coef(m)[7], b3 = 1.0), subset = l1:l-l2, weights = x^3) +m4=m +#par(mfrow=c(1,2)) +extrapol = coef(m)[5] +#plot(x,y, lty=2,col="blue",lwd=3) # Plot data and fit +#lines(x[l1:l-l2],predict(m),lty=2,col="red",lwd=3) + +#plot(x, abs(y-extrapol), log="y") +#lines(x[l1:l-l2],abs(predict(m)-extrapol),lty=2,col="black",lwd=3) +summary(m) # Report summary of fit, values and error bars + + +orders = append(orders, 4) +extrapolates = append(extrapolates, extrapol) +errors= append(errors, coef(summary(m))[4, "Std. Error"]) +precs = append(precs, predict(m)-extrapol) +predicts = append(predicts, predict(m)) + +print (paste(predict(m)-extrapol), length(predict(m)-extrapol)) +anova(m1,m2,m3,m4) +}, error = function(err){ + +print(paste("error found at ", err)) +} +) + +#print(paste(result)) + +summary(m) + +#std_err= coef(summary(m))[order+1, "Std. Error"] + +#print(paste(std_err, order, extrapolate)) +print (paste(predict(m)-extrapol)) + +print(paste(precs)) +output = data.frame(Order = orders, Extrapolate = extrapolates, Error=errors, Precisions = list(precs), Predicts=list(predicts)) +write.csv(output, 'Result.csv') + + +pade1 <- function(x) { + pade <- (a0+a1*x)/(b0+x) + return(pade) +} + +a0 = y[l] +a1 = y[l] +b0 = 1 +plot(x,y, lty=2,col="red",lwd=3) +lines(x,pade1(x)) diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/plot_histograms.py b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/plot_histograms.py new file mode 100644 index 0000000..985f890 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/plot_histograms.py @@ -0,0 +1,130 @@ +import matplotlib +matplotlib.rcParams.update({'font.size': 18,'legend.fontsize':16, 'lines.markersize': 14}) + +import matplotlib.pyplot as plt +import pandas as pd + +import numpy as np + +codes = 'VASP' +exchs = 'PBE' + + +def myLinFunc(x,M,C): + return M*x+C + + + + +#corrected_plaws = pd.read_csv('histogram_data_without_outliers.csv') +corrected_plaws = pd.read_csv('outliers_removed_including_dev.csv') + +n, bins, patches = plt.hist(np.array([corrected_plaws['v0_M'], corrected_plaws['B_M'], corrected_plaws['dB_M']]).transpose()) + +plt.setp(patches[0], color="black", label='$v_0$') +plt.setp(patches[1], color="blue", label='$B$') +plt.setp(patches[2], color="red", label="$B'$") + +plt.title("Sensitivity of Numerical Precision") +print (max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) +print (min([min(corrected_plaws['v0_M']), min(corrected_plaws['B_M']), min(corrected_plaws['dB_M'])])) +plt.xlim(0.0, max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) +plt.xlabel("Value of Slope $M$ (% per meV/atom)") +plt.ylabel("Number of Elements") +#plt.legend() + +plt.savefig('devs_v4_{0}_{1}_slopes.pdf'.format(codes, exchs)) +plt.close() +## Intercepts +#fig,ax = plt.subplots() + +#n, bins, patches = plt.hist(np.array([v0_intercept_c, B_intercept_c, dB_intercept_c]).transpose()) +n, bins, patches = plt.hist(np.array([corrected_plaws['v0_C'], corrected_plaws['B_C'], corrected_plaws['dB_C']]).transpose()) + +plt.setp(patches[0], color="black") +plt.setp(patches[1], color="blue") +plt.setp(patches[2], color="red") +plt.title("Numerical Precision at 1 meV/atom") +minx = min([min(corrected_plaws['v0_C']), min(corrected_plaws['B_C']), min(corrected_plaws['dB_C'])]) +maxx = max([max(corrected_plaws['v0_C']), max(corrected_plaws['B_C']), max(corrected_plaws['dB_C'])]) +print(minx, maxx) +labels = ['$10^{'+str(s)+'}$' for s in [-6+x for x in range(0,8)]] +#print (labels) +ax = plt.gca() +ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) +plt.xlim(-6,2) +plt.xlabel("Value of Intercept $C$ (%)") +plt.ylabel("Number of Elements") + +#plt.show() +plt.tight_layout() +plt.savefig('devs_v4_{0}_{1}_intercepts.pdf'.format(codes, exchs)) +plt.close() + +meV = 0.01 +E_intercept = np.log(meV) + +v0_x = [myLinFunc(E_intercept,corrected_plaws['v0_M'][n],corrected_plaws['v0_C'][n]) for n in corrected_plaws['v0_C'].index] +B_x = [myLinFunc(E_intercept,corrected_plaws['B_M'][n],corrected_plaws['B_C'][n]) for n in corrected_plaws['B_C'].index] +dB_x = [myLinFunc(E_intercept,corrected_plaws['dB_M'][n],corrected_plaws['dB_C'][n]) for n in corrected_plaws['dB_C'].index] + +#v0_dev = [corrected_plaws['v0_dev'][n]) for n in corrected_plaws['v0_C'].index] +#B_dev = [] +#dB_dev = [] + +n, bins, patches = plt.hist(np.array([v0_x, B_x, dB_x]).transpose()) + +plt.setp(patches[0], color="black") +plt.setp(patches[1], color="blue") +plt.setp(patches[2], color="red") +plt.title("Numerical Precision at {} meV/atom".format(str(meV))) +#minx = min([min(corrected_plaws['v0_x']), min(corrected_plaws['B_x']), min(corrected_plaws['dB_x'])]) +#maxx = max([max(corrected_plaws['v0_x']), max(corrected_plaws['B_x']), max(corrected_plaws['dB_x'])]) +#print(minx, maxx) +labels = ['$10^{'+str(s)+'}$' for s in [-6+x for x in range(0,8)]] +#print (labels) +ax = plt.gca() +plt.xlim(-6,2) +ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) +#plt.xlim(-8,2) +plt.xlabel("Value of $\sigma_{V_0}, \sigma_{B_0}, \sigma_{B'}$ (%)") +plt.ylabel("Number of Elements") + +#plt.show() +plt.tight_layout() +print ('use saved {0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV))) +plt.savefig('devs_v4_{0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV))) +plt.close() + + +n, bins, patches = plt.hist(np.array([np.log10(corrected_plaws['v0_dev']), np.log10(corrected_plaws['B_dev']), np.log10(corrected_plaws['dB_dev'])]).transpose()) + +print (corrected_plaws['v0_dev'], corrected_plaws['B_dev'], corrected_plaws['dB_dev']) +plt.setp(patches[0], color="black") +plt.setp(patches[1], color="blue") +plt.setp(patches[2], color="red") +plt.title("Mean Numerical Precision Deviations".format(str(meV))) +minx = min([min(corrected_plaws['v0_dev']), min(corrected_plaws['B_dev']), min(corrected_plaws['dB_dev'])]) +maxx = max([max(corrected_plaws['v0_dev']), max(corrected_plaws['B_dev']), max(corrected_plaws['dB_dev'])]) +#print(minx, maxx) +labels = ['$10^{'+str(s)+'}$' for s in [-4+x for x in range(0,6)]] +#print (labels) +ax = plt.gca() +#plt.xscale('log') +plt.xlim(-4,2) +ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) +#plt.xlim(-8,2) +plt.xlabel("Value of $\sigma_{V_0}, \sigma_{B_0}, \sigma_{B'}$ (%)") +plt.ylabel("Number of Elements") + +#plt.show() +plt.tight_layout() +print ('use saved {0}_{1}_deviations.pdf'.format(codes, exchs)) +plt.savefig('devs_v4_{0}_{1}_deviations.pdf'.format(codes, exchs)) +plt.close() + +print('finished!') + diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/power_law_linear_regression.R b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/power_law_linear_regression.R new file mode 100644 index 0000000..97c2196 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/power_law_linear_regression.R @@ -0,0 +1,19 @@ +mydata = read.csv('Rdata.csv') + +x = mydata$X +y = mydata$Y + +power_law <-lm('log(y)~log(x)') + +fit_values = exp(coef(power_law)[1] + coef(power_law)[2] * log(x)) +dat = data.frame(x=x, y=y,f=fit_values) +write.csv(dat, 'predicts.csv') + +C = coef(power_law)[1] +C_err = coef(summary(power_law))[1, "Std. Error"] +M = coef(power_law)[2] +M_err = coef(summary(power_law))[2, "Std. Error"] + +datp = data.frame(C=C, C_err=C_err, M=M, M_err=M_err) + +write.csv(datp, 'params.csv') diff --git a/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/transform_sigma_kpoints_min.py b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/transform_sigma_kpoints_min.py new file mode 100644 index 0000000..4cbd169 --- /dev/null +++ b/benchmark-view/ShinyApps/Numerical_Precs_Methods_Scripts/transform_sigma_kpoints_min.py @@ -0,0 +1,398 @@ +# change sigma precs to sigma_E_kmin precs + +import matplotlib +matplotlib.rcParams.update({'font.size': 18,'legend.fontsize':18, 'lines.markersize': 14}) + +import pandas as pd +import matplotlib.pyplot as plt + + + +import numpy as np +import os +import sys +powerlaws_file = ''#'v4_PowerLawPairs_test_all.csv' + +counter = 0 + +codes = 'VASP' +exchs = 'PBE' +# first crossfilter based on element, structure, property +def plot_all_together(name, a0, B, dB): + """ + plot everything on one plot + """ + + plt.scatter(a0['x'], a0['y'], marker = ".", color='black', label=None) + plt.scatter(B['x'], B['y'], marker = "*", color='blue', label=None) + plt.scatter(dB['x'], dB['y'], marker = "v", color='red', label=None) + + try: + ax = plt.gca() + #ax.set_xscale('log') + #ax.set_yscale('log') + ax.set_xlabel('$\sigma_{E_0}$ in meV/atom') + ax.set_ylabel("$\sigma_{V_0}$, $\sigma_{B}$, $\sigma_{B'}$ Precision in percent") +# plt.plot(a0['x'], a0['f'], color='black', label='$\sigma_{V_0}$') +# plt.plot(B['x'], B['f'], color='blue', label='$\sigma_{B}$') +# plt.plot(dB['x'], dB['f'], color='red', label="$\sigma_{B'}$") +# plt.xlim(min([min(a0['f']), min(B['f']), min(dB['f'])]), 10.0) + plt.legend() + plt.savefig('transformed_v6_'+name+'.pdf') + plt.close() + except: + print ("plot problems") + +def regress_with_R(name, X,Y,rscript='regression_linear_model.R'): + """ + fits with R the variable X and Y according to + the model provided by the script + """ + + dframe = pd.DataFrame({'X':X,'Y':Y}) + dframe.to_csv('Rdata.csv', index=False) + #os.system('Rscript {}'.format(rscript)) + try: + #print ('trying to execute Rscript {}'.format(rscript)) + os.system('Rscript {}'.format(rscript)) + #print ('executed') + except: + print (name, 'warnings') + + try: + params = pd.read_csv('params.csv') + preds = pd.read_csv('predicts.csv') + plt.scatter(preds['x'], preds['y']) + ax = plt.gca() + ax.set_xscale('log') + ax.set_yscale('log') + plt.plot(preds['x'], preds['f'], color='red') + plt.savefig(name) + plt.close() + + except: + params = pd.DataFrame( {'C':[np.nan],'M':[np.nan],'C_err':[np.nan],'M_err':[np.nan]} ) + + return name, params['C'][0], params['C_err'][0], params['M'][0], params['M_err'][0], preds + +def crossfilter_el_p(data,el,st,p): + # first element + el_data = data[data['element']==el] + st_el_data = el_data[el_data['structure']==st] + #structs = np.unique(el_data['structure']) + # perform crossfilter on first structure entry available, list others as well + #print (structs) + #st_el_data = el_data[el_data['structure']==structs[0]] + # finally on property + p_st_el_data = st_el_data[st_el_data['property']==p] + kpoints_atom = list(p_st_el_data['k-point']) + #kpoints_atom = [k**3 for k in kpoints] + #print (el,st,p,kpoints_atom, list(p_st_el_data['perc_precisions'])) + if p=='E0': + precs = [ abs(10*e) for e in p_st_el_data['perc_precisions'] ] + else: + precs = list(p_st_el_data['perc_precisions']) + return kpoints_atom, precs + +if __name__=='__main__': + """ + extract transforms + """ + dataset = pd.read_csv('main_complete_perc_v6.csv') + pbe_dataset = dataset[dataset['exchange']=='PBE'] + spin1_pbe_dataset = pbe_dataset[pbe_dataset['calculations_type']!='PseudoPot_ISPIN_2'] + spin1_pbe_dataset = spin1_pbe_dataset[spin1_pbe_dataset['calculations_type']!='PseudoPot_2_POT'] + spin1_pbe_dataset.to_csv('main_pbe_non_spin_v6.csv') + focus_data = spin1_pbe_dataset[['element','structure','k-point','property', 'perc_precisions']] + sorted_focus_data = focus_data.sort_values(by=['property','k-point']) + sorted_focus_data_no_outliers = sorted_focus_data[abs(sorted_focus_data['perc_precisions'])<50.0] + mydata = sorted_focus_data_no_outliers + mydata.to_csv('main_pbe_non_spin_v6_cleanedup.csv') + sigma_Ps = {} + kpoints_choices = [] + st_el = [] + print ('finished sorted clean up.. crossfiltering..') + transformed_set = {'element': [], 'structure': [], 'property':[], 'kpts_density': [], 'sigma_P_kmin':[]} + prop_colors = { 'E0':'darkgreen', 'v0':'black', 'B':'blue', 'dB':'red' } + prop_labels = { 'E0':'$\sigma_{E_0}kmin$', 'v0': '$\sigma_{V_0}kmin$', 'B': '$\sigma_Bkmin$', 'dB': "$\sigma_B'kmin$" } + prop_markers = { 'E0':'.', 'v0': '*', 'B': '^', 'dB': "v" } + for el in np.unique(mydata['element']): + el_mydata = mydata[mydata['element']==el] + for st in np.unique(el_mydata['structure']): + st_el_mydata = el_mydata[el_mydata['structure']==st] + for p in ['E0','v0','B','dB']:#enumerate(np.unique(st_el_mydata['property'])): + kpts, props_P = crossfilter_el_p(mydata, el, st, p) + #pd.DataFrame({'kpts':kpts,'props_P':props_P}).to_csv('check_max{}.csv'.format(counter)) + sigma_P_kmin = [ max(props_P[n:]) for n, k in enumerate(kpts) ] + #print (len(sigma_P_kmin),len(kpts)) + name = '_'.join([st,el]) + #for n,pr in enumerate(props_P): + # print (name, ',', kpts[n], ',', p, ',', props_P[n], ',', sigma_P_kmin[n]) + #if p == 'E0': + # print (name, sigma_P_kmin) + + plt.scatter(kpts,sigma_P_kmin, label=prop_labels[p], color=prop_colors[p], marker=prop_markers[p]) + plt.plot(kpts,sigma_P_kmin, label=None, color=prop_colors[p], marker=prop_markers[p]) + sigma_Ps[p] = {'Sigma':sigma_P_kmin, 'Kpts':kpts} + #else: + # plt.scatter(kpts,sigma_P_kmin, label=prop_labels[p], color=prop_colors[p], marker=prop_markers[p]) + + #print (el,st,p) + #print (props_P,sigma_P_kmin) + + for n,k in enumerate(kpts): + + transformed_set['element'].append(el) + transformed_set['structure'].append(st) + transformed_set['property'].append(p) + transformed_set['kpts_density'].append(k) + #print (k,sigma_P_kmin[n]) + transformed_set['sigma_P_kmin'].append(sigma_P_kmin[n]) + #trans_set = transformed_set + #pd.DataFrame(trans_set).to_csv('trans{}set.csv'.format(i)) + + plt.yscale('log') + plt.xscale('log') + plt.title(name) + plt.ylabel('Max $\sigma$ % for $k-$points choice') + plt.xlabel('$k-$points density per atom') + plt.legend() + plt.tight_layout() + plt.savefig('sigma_kmin_'+name+'.png') + plt.close() + print (el,st) + for k in sigma_Ps.keys(): + sigma_indices = [n for n,s in enumerate(sigma_Ps[k]['Sigma']) if abs(float(s))<1.0] + if sigma_indices: + sigma_Ps[k].update( {'min_index':min(sigma_indices)} ) + else: + sigma_Ps[k].update( {'min_index':1} ) + print ('Non precise warning for {0} {1}'.format(st, el)) + if (el,st)!=('Al','bcc'): + kpt_index = max([sigma_Ps[k]['min_index'] for k in sigma_Ps.keys()]) + print (np.log10(sigma_Ps['E0']['Kpts'][kpt_index])) + kpoints_choices.append(np.log10(sigma_Ps['E0']['Kpts'][kpt_index])) + st_el.append('_'.join([el,st])) + + + #print (sigma_Ps) + + sigma_Ps = {} + + # k-points choices + #prop_sigmas = [ n for n,s in enumerate(p[0]) for p in sigma_Ps if abs(float(s)) < 1.0 ] + #kpt_sigmas = [ p[1] for p in sigma_Ps ] +#counter = counter + i + print ('got the records for the new table..') + transformed = pd.DataFrame(transformed_set) + print ('made the dataframe and saving... finished. ') + transformed.to_csv('v6_transformed_sigmas.csv') + plt.close() + pd.DataFrame({'Material':st_el, 'Kpoints_Density':kpoints_choices}).to_csv('Kpoints_Choices.csv') + plt.hist(kpoints_choices) + plt.savefig('Kpoints_Choices_histogram_logs.png') + + sys.exit() + B_fits = {} + v0_fits = {} + dB_fits = {} + for el in np.unique(transformed['element']): + el_transformed = transformed[transformed['element']==el] + for st in np.unique(el_transformed['structure']): + name = '_'.join([el,st]) + st_el_transformed = el_transformed[el_transformed['structure']==st] + #for p in np.unique(st_el_transformed['property']): + sigma_E0 = st_el_transformed[st_el_transformed['property']=='E0'] + X = list(abs(sigma_E0['sigma_P_kmin'])) + #print (len(X)) + #print (len(list(sigma_V0['sigma_P_kmin']))) + #print (len(list(sigma_B['sigma_P_kmin']))) + #print (len(list(sigma_dB['sigma_P_kmin']))) + sigma_V0 = st_el_transformed[st_el_transformed['property']=='v0'] + sigma_B = st_el_transformed[st_el_transformed['property']=='B'] + sigma_dB = st_el_transformed[st_el_transformed['property']=='dB'] + l = min([len(X),len(list(sigma_V0['sigma_P_kmin'])), len(list(sigma_B['sigma_P_kmin'])), len(list(sigma_dB['sigma_P_kmin']))]) + #print (l) + #print (len(list(sigma_dB['sigma_P_kmin']))) + # perform power law fits - 3 and plot all together + if l > 18: + #print (name, l) + v0_fits[name]= regress_with_R( name,X[:l],Y=list(abs(sigma_V0['sigma_P_kmin']))[:l], rscript='regression_linear_model.R' ) + B_fits[name]= regress_with_R( name,X[:l],Y=list(abs(sigma_B['sigma_P_kmin']))[:l], rscript='regression_linear_model.R' ) + dB_fits[name]= regress_with_R( name,X[:l],Y=list(abs(sigma_dB['sigma_P_kmin']))[:l], rscript='regression_linear_model.R' ) + + #print (v0_fits, B_fits, dB_fits) + #print ('performed fitting through') + + import matplotlib + #print (matplotlib.rcParams.keys()) + matplotlib.rcParams.update({'font.size': 18,'legend.fontsize':16, 'lines.markersize': 14}) + + #elem = 'fcc_Nb' + #try: + # for e in B_fits.keys(): + # elem_set = e, a0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] + # plot_all_together(*elem_set) + #except: + # for e in dB_fits.keys(): + # elem_set = e, a0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] + # plot_all_together(*elem_set) + + + + B_slope_m = [B_fits[k][3] for k in B_fits.keys()]#[ B_fits[k](1) - B_fits[k](0) for k in B_fits.keys() ] + B_slope_m_err = [B_fits[k][4] for k in B_fits.keys()] + #B_slope_eqn = [myLinFunc(B_fits[k][3], B_fits[k][1]) for k in B_fits.keys()] + B_names = [B_fits[k][0] for k in B_fits.keys()] + + v0_slope_m = [v0_fits[k][3] for k in v0_fits.keys()] #[ a0_fits[k](1) - a0_fits[k](0) for k in a0_fits.keys() ] + v0_slope_m_err = [v0_fits[k][4] for k in v0_fits.keys()] + v0_names = [v0_fits[k][0] for k in v0_fits.keys()] + + dB_slope_m = [dB_fits[k][3] for k in dB_fits.keys()]#[ dB_fits[k](1) - dB_fits[k](0) for k in dB_fits.keys() ] + dB_slope_m_err = [dB_fits[k][4] for k in dB_fits.keys()] + dB_names = [dB_fits[k][0] for k in dB_fits.keys()] + + #meV_intercept = 0.001 + #E_intercept = np.log(meV_intercept) + + v0_intercept_c = [v0_fits[k][1] for k in v0_fits.keys()]#[ a0_fits[k](0) for k in a0_fits.keys() ] + v0_intercept_c_err = [v0_fits[k][2] for k in v0_fits.keys()] + #v0_intercept_x = [myLinFunc(E_intercept, v0_fits[k][3], v0_fits[k][1]) for k in v0_fits.keys()] + + B_intercept_c = [B_fits[k][1] for k in B_fits.keys()]#[ B_fits[k](0) for k in B_fits.keys() ] + B_intercept_c_err = [B_fits[k][2] for k in B_fits.keys()] + #B_intercept_x = [myLinFunc(E_intercept, B_fits[k][3], B_fits[k][1]) for k in B_fits.keys()] + + dB_intercept_c = [dB_fits[k][1] for k in dB_fits.keys()]#[ dB_fts[k](0) for k in dB_fits.keys() ] + dB_intercept_c_err = [dB_fits[k][2] for k in dB_fits.keys()] + #dB_intercept_x = [myLinFunc(E_intercept, dB_fits[k][3],dB_fits[k][1]) for k in dB_fits.keys()] + + limits_compare = [len(B_slope_m), len(dB_slope_m), len(v0_slope_m)] + #print (limits_compare, min(limits_compare)) + l = min(limits_compare) + ## saving the data on the slopes and intercepts + + DataSet = {'v0_names': v0_names[:l], + 'v0_M': v0_slope_m[:l], + 'v0_M_err':v0_slope_m_err[:l], + 'v0_C': v0_intercept_c[:l], + 'v0_C_err': v0_intercept_c_err[:l], + #'v0_x': v0_intercept_x[:l], + 'B_names': B_names[:l], + 'B_M': B_slope_m[:l], + 'B_M_err': B_slope_m_err[:l], + 'B_C': B_intercept_c[:l], + 'B_C_err': B_intercept_c_err[:l], + #'B_x': B_intercept_x[:l], + 'dB_names': dB_names[:l], + 'dB_M': dB_slope_m[:l], + 'dB_M_err': dB_slope_m_err[:l], + 'dB_C': dB_intercept_c[:l], + 'dB_C_err': dB_intercept_c_err[:l]} + #'dB_x': dB_intercept_x[:l],} + + try: + for e in list(B_fits.keys())[:l]: + elem_set = e, v0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] + plot_all_together(*elem_set) + except: + for e in list(dB_fits.keys())[:l]: + elem_set = e, v0_fits[e][-1], B_fits[e][-1], dB_fits[e][-1] + plot_all_together(*elem_set) + + plaws = pd.DataFrame(DataSet) + #.to_csv('PowerLawPairs_test_2.csv',index=False) + # 'B_E': B_extraps, + # 'a0_E': a0_extraps, + # 'dB_E': dB_extraps } + + ### plotting the histograms + #fig,ax = plt.subplots(2,1) + #print (type(v0_slope_m), type(B_slope_m), type(dB_slope_m)) + #n, bins, patches = plt.hist(np.array([v0_slope_m, B_slope_m, dB_slope_m]).transpose()) + #corrected_plaws = plaws.drop([6,31,11,10]) + + #B_plaws = plaws[abs(plaws['B_C'])<5.0] + #dB_plaws = B_plaws[abs(B_plaws['dB_C'])<5.0] + #corrected_plaws = dB_plaws[abs(dB_plaws['v0_C']<6.0)] + + corrected_plaws = plaws + + #print (corrected_plaws) + + corrected_plaws.to_csv('transforms_v6_PowerLawPairs_test_all.csv') + n, bins, patches = plt.hist(np.array([corrected_plaws['v0_M'], corrected_plaws['B_M'], corrected_plaws['dB_M']]).transpose()) + + plt.setp(patches[0], color="black", label='$V_0$') + plt.setp(patches[1], color="blue", label='$B$') + plt.setp(patches[2], color="red", label="$B'$") + + plt.title("Sensitivity of Numerical Precision") + #print (max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) + #print (min([min(corrected_plaws['v0_M']), min(corrected_plaws['B_M']), min(corrected_plaws['dB_M'])])) + plt.xlim(0.0, max([max(corrected_plaws['v0_M']), max(corrected_plaws['B_M']), max(corrected_plaws['dB_M'])])) + plt.xlabel("Value of Slope $M$ (% per meV/atom)") + plt.ylabel("Number of Elements") + #plt.legend() + + plt.savefig('transforms_v6_{0}_{1}_slopes.pdf'.format(codes, exchs)) + plt.close() + ## Intercepts + #fig,ax = plt.subplots() + + #n, bins, patches = plt.hist(np.array([v0_intercept_c, B_intercept_c, dB_intercept_c]).transpose()) + n, bins, patches = plt.hist(np.array([corrected_plaws['v0_C'], corrected_plaws['B_C'], corrected_plaws['dB_C']]).transpose()) + + plt.setp(patches[0], color="black") + plt.setp(patches[1], color="blue") + plt.setp(patches[2], color="red") + plt.title("Numerical Precision at 1 meV/atom") + + minx = min([min(corrected_plaws['v0_C']), min(corrected_plaws['B_C']), min(corrected_plaws['dB_C'])]) + maxx = max([max(corrected_plaws['v0_C']), max(corrected_plaws['B_C']), max(corrected_plaws['dB_C'])]) + print(minx, maxx, range(int(minx)-1, int(maxx)+1,1))#[int(minx)+x for x in range(0,int(maxx)-int(minx))]) + labels = ['$10^{'+str(s)+'}$' for s in range(int(minx)-1, int(maxx)+1,1)]#[int(minx)+x for x in range(0,int(maxx)-int(minx))] + print (labels) + ax = plt.gca() + ax.set_xticklabels(labels) +#plt.xlim(int(minx),1.0) + plt.xlim(int(minx)-1,int(maxx)+1) + #print (labels) + #plt.xlim(int(minx),1.0) + #plt.xlim(-6,2) + plt.xlabel("Value of Intercept $C$ (%)") + plt.ylabel("Number of Elements") + + #plt.show() + plt.tight_layout() + plt.savefig('PPt_transforms_v6_{0}_{1}_intercepts.png'.format(codes, exchs)) + plt.close() + + + #n, bins, patches = plt.hist(np.array([corrected_plaws['v0_x'], corrected_plaws['B_x'], corrected_plaws['dB_x']]).transpose()) + + #plt.setp(patches[0], color="black") + #plt.setp(patches[1], color="blue") + #plt.setp(patches[2], color="red") + #plt.title("Numerical Precision at {} meV/atom".format(str(meV_intercept))) + #minx = min([min(corrected_plaws['v0_x']), min(corrected_plaws['B_x']), min(corrected_plaws['dB_x'])]) + #maxx = max([max(corrected_plaws['v0_x']), max(corrected_plaws['B_x']), max(corrected_plaws['dB_x'])]) + #print(minx, maxx) + #labels = ['$10^{'+str(s)+'}$' for s in [-6+x for x in range(0,8)]] + #print (labels) + #ax = plt.gca() + #ax.set_xticklabels(labels) + #plt.xlim(int(minx),1.0) + #plt.xlim(-8,2) + #plt.xlabel("Value of $\sigma_{V_0}, \sigma_{B_0}, \sigma_{B'}$ (%)") + #plt.ylabel("Number of Elements") + + #plt.show() + #plt.tight_layout() + #print ('use saved {0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV_intercept))) + #plt.savefig('transform_v4_{0}_{1}_intercepts_{2}.pdf'.format(codes, exchs, str(meV_intercept))) + #plt.close() + + + #print('finished!') diff --git a/benchmark-view/WebApp_Wflow.md b/benchmark-view/WebApp_Wflow.md new file mode 100644 index 0000000..a635e7f --- /dev/null +++ b/benchmark-view/WebApp_Wflow.md @@ -0,0 +1,22 @@ +Clean up of dft benchmark data and integration for database deployment and readiness + +* MainCollectionFiles: + contains database csv that is easily transferrable to MongoDB + - 2 collections: Main Calculated data, Ref Data + - needs to be updatable with a plug and play script + +* AutoScripts: + Workshop for automatic plotting scripts, analysis scripts that takes + a crossfiltered selection as input. Bring down to 2 scripts or single Class + - database ccrossfilter script based on UI widget inputs + - script that commands the analysis of the crossfiltered data + - goto scripts for commanding a high throughput work through of new data that + can be updated into an input collection. + +* Static_Image_examples: + Example static files of plots that can be displayed on the front page + as examples, statistics. + +* RefStdFiles: + Files that hold experimental references for calculation of accuracies. Second + diff --git a/benchmark-view/crossfilter_app/Data/Data.csv b/benchmark-view/crossfilter_app/Data/Data.csv new file mode 100644 index 0000000..dcf3c24 --- /dev/null +++ b/benchmark-view/crossfilter_app/Data/Data.csv @@ -0,0 +1,22517 @@ +Unnamed: 0,bz_integration,calculations_type,code,element,exchange,extrapolate,extrapolate_err,k-point,pade_order,perc_precisions,precision,property,structure,value +0,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,87.58233331115143,0.00055796370599366,64.0,1.0,5.75875504558159,-5.75875504558159,B,bcc,82.5386812725574 +1,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,87.58233331115143,0.00055796370599366,216.0,1.0,9.16437241589634,-9.16437241589634,B,bcc,79.55596211598589 +2,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,87.58233331115143,0.00055796370599366,512.0,1.0,0.8170034845916255,0.8170034845916255,B,bcc,88.29788402619019 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+2,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,72.0,1.0,0.3999395252924098,-0.3999395252924098,E0,hcp,-6.404011036583966 +3,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,128.0,1.0,0.035155937833297346,0.035155937833297346,E0,hcp,-6.431986482929525 +4,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,162.0,1.0,0.2271975608096732,0.2271975608096732,E0,hcp,-6.4443342331935565 +5,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,243.0,1.0,0.1633845810612432,0.1633845810612432,E0,hcp,-6.440231233409837 +6,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,363.0,1.0,0.09446508941448828,0.09446508941448828,E0,hcp,-6.435799898900219 +7,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,507.0,1.0,0.05091116606439899,0.05091116606439899,E0,hcp,-6.432999500943721 +8,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,900.0,1.0,0.02879497607434685,0.02879497607434685,E0,hcp,-6.431577490514124 +9,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,1156.0,1.0,0.01635363438987509,0.01635363438987509,E0,hcp,-6.430777546326564 +10,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,1300.0,1.0,0.019357022179918592,0.019357022179918592,E0,hcp,-6.4309706559337565 +11,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,1624.0,1.0,0.010932779621663205,0.010932779621663205,E0,hcp,-6.430429000215269 +12,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,2425.0,1.0,0.006106974866663023,0.006106974866663023,E0,hcp,-6.430118714189697 +13,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,2909.0,1.0,0.004178793062946662,0.004178793062946662,E0,hcp,-6.429994737381925 +14,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,4062.0,1.0,0.003463132576586849,0.003463132576586849,E0,hcp,-6.429948722373187 +15,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,4738.0,1.0,0.0008800985865838166,0.0008800985865838166,E0,hcp,-6.429782640363788 +16,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,6307.0,1.0,0.0012495915819972685,0.0012495915819972685,E0,hcp,-6.429806397751176 +17,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,7207.0,1.0,0.0008725952786517879,0.0008725952786517879,E0,hcp,-6.429782157921643 +18,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,9256.0,1.0,0.0007147302543469528,0.0007147302543469528,E0,hcp,-6.429772007633048 +19,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,11637.0,1.0,0.0006139225914879548,0.0006139225914879548,E0,hcp,-6.429765525976486 +20,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,14449.0,1.0,0.00013333581096934194,0.00013333581096934194,E0,hcp,-6.429734625563055 +21,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,17650.0,1.0,0.0002855151827422014,-0.0002855151827422014,E0,hcp,-6.429707694591591 +22,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,27612.0,1.0,0.00027168618833764625,-0.00027168618833764625,E0,hcp,-6.429708583758048 +23,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,35113.0,1.0,7.383251243057572e-05,-7.383251243057572e-05,E0,hcp,-6.4297213052073925 +24,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,43862.0,1.0,0.00016928801896909834,0.00016928801896909834,E0,hcp,-6.429736937191539 +25,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,53955.0,1.0,0.00014304629694309663,0.00014304629694309663,E0,hcp,-6.429735249920701 +26,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-6.4297260524356785,3.863437021938749e-06,69712.0,1.0,8.184106012276402e-06,-8.184106012276402e-06,E0,hcp,-6.429725526220082 +0,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,16.0,1.0,17.108782502334993,-17.108782502334993,dB,hcp,4.84934026736296 +1,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,36.0,1.0,0.9155136929416088,0.9155136929416088,dB,hcp,5.903805963117688 +2,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,72.0,1.0,27.138061068669213,-27.138061068669213,dB,hcp,4.262602783314124 +3,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,128.0,1.0,15.39694349881666,-15.39694349881666,dB,hcp,4.949487062905416 +4,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,162.0,1.0,0.5984219595699739,-0.5984219595699739,dB,hcp,5.81523700076498 +5,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,243.0,1.0,0.18080235326312885,0.18080235326312885,dB,hcp,5.860823541192333 +6,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,363.0,1.0,1.239198557774834,1.239198557774834,dB,hcp,5.922742324488129 +7,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,507.0,1.0,2.1867970869549,2.1867970869549,dB,hcp,5.9781791710391685 +8,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,900.0,1.0,1.2261645937897991,1.2261645937897991,dB,hcp,5.9219798055108 +9,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,1156.0,1.0,1.5401806227342492,1.5401806227342492,dB,hcp,5.9403505161810894 +10,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,1300.0,1.0,1.3871512860428514,1.3871512860428514,dB,hcp,5.931397923289976 +11,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,1624.0,1.0,0.8057391865786767,-0.8057391865786767,dB,hcp,5.803108432656065 +12,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,2425.0,1.0,1.2935475013858102,1.2935475013858102,dB,hcp,5.925921871473897 +13,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,2909.0,1.0,0.9789518465523456,0.9789518465523456,dB,hcp,5.907517251262302 +14,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,4062.0,1.0,1.2887807656639745,1.2887807656639745,dB,hcp,5.925643005700447 +15,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,4738.0,1.0,0.6928414677984676,0.6928414677984676,dB,hcp,5.89077908982028 +16,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,6307.0,1.0,0.8594439065290026,0.8594439065290026,dB,hcp,5.900525742592024 +17,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,7207.0,1.0,1.426898965256625,1.426898965256625,dB,hcp,5.933723260366258 +18,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,9256.0,1.0,1.754884584507715,1.754884584507715,dB,hcp,5.952911226456817 +19,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,11637.0,1.0,1.6859994509102996,1.6859994509102996,dB,hcp,5.94888127657478 +20,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,14449.0,1.0,1.0865372636109278,1.0865372636109278,dB,hcp,5.9138112629908415 +21,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,17650.0,1.0,0.8735424757328006,0.8735424757328006,dB,hcp,5.901350543595268 +22,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,27612.0,1.0,0.6149414950446834,0.6149414950446834,dB,hcp,5.886221749656806 +23,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,35113.0,1.0,0.5530676200330837,0.5530676200330837,dB,hcp,5.882601975660846 +24,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,43862.0,1.0,0.4416704506701907,0.4416704506701907,dB,hcp,5.876084967039553 +25,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,53955.0,1.0,0.18737058304019036,0.18737058304019036,dB,hcp,5.861207798802544 +26,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.85024615846614,0.0017993491088069602,69712.0,1.0,0.1760511361462122,0.1760511361462122,dB,hcp,5.86054558329547 +0,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,16.0,2.0,1.7126939477696148,1.7126939477696148,v0,hcp,36.583988305192015 +1,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,36.0,2.0,0.09365920429086268,-0.09365920429086268,v0,hcp,35.934279797579755 +2,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,72.0,2.0,0.4324762447518637,0.4324762447518637,v0,hcp,36.123520022842214 +3,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,128.0,2.0,0.14061470935534476,0.14061470935534476,v0,hcp,36.01854336178587 +4,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,162.0,2.0,0.08807358056143623,-0.08807358056143623,v0,hcp,35.936288832885616 +5,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,243.0,2.0,0.08136339807470068,-0.08136339807470068,v0,hcp,35.938702349115424 +6,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,363.0,2.0,0.0742829657420847,-0.0742829657420847,v0,hcp,35.94124903668802 +7,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,507.0,2.0,0.047707335670593314,-0.047707335670593314,v0,hcp,35.950807750571244 +8,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,900.0,2.0,0.04458672766365335,-0.04458672766365335,v0,hcp,35.951930169832785 +9,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,1156.0,2.0,0.039334474510103315,-0.039334474510103315,v0,hcp,35.95381929851956 +10,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,1300.0,2.0,0.038793002532598084,-0.038793002532598084,v0,hcp,35.95401405498234 +11,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,1624.0,2.0,0.0321791666866078,-0.0321791666866078,v0,hcp,35.95639291728409 +12,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,2425.0,2.0,0.029655530264772436,-0.029655530264772436,v0,hcp,35.95730061800226 +13,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,2909.0,2.0,0.02750441139875926,-0.02750441139875926,v0,hcp,35.95807433172847 +14,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,4062.0,2.0,0.023965310013792908,-0.023965310013792908,v0,hcp,35.959347274550574 +15,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,4738.0,2.0,0.021172393079284108,-0.021172393079284108,v0,hcp,35.96035182999498 +16,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,6307.0,2.0,0.019053554225588173,-0.019053554225588173,v0,hcp,35.96111393325697 +17,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,7207.0,2.0,0.017608636986263016,-0.017608636986263016,v0,hcp,35.961633640614366 +18,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,9256.0,2.0,0.016258866748154816,-0.016258866748154816,v0,hcp,35.96211912552967 +19,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,11637.0,2.0,0.014008230592228749,-0.014008230592228749,v0,hcp,35.96292863360198 +20,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,14449.0,2.0,0.01008507859387748,-0.01008507859387748,v0,hcp,35.9643397116224 +21,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,17650.0,2.0,0.008863230954369937,-0.008863230954369937,v0,hcp,35.96477918537951 +22,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,27612.0,2.0,0.005740474384262818,-0.005740474384262818,v0,hcp,35.96590237743555 +23,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,35113.0,2.0,0.004805856785411154,-0.004805856785411154,v0,hcp,35.9662385403861 +24,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,43862.0,2.0,0.004012500216733881,-0.004012500216733881,v0,hcp,35.966523894615776 +25,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,53955.0,2.0,0.003227483669593864,-0.003227483669593864,v0,hcp,35.96680624910926 +26,TetraBloechl,allKp_without_spin,VASP,Au,PBE,35.967967109374,4.0918194053851e-05,69712.0,2.0,0.0025341948932268627,-0.0025341948932268627,v0,hcp,35.96705561098832 +0,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,4.0,1.0,52.75054770074239,-52.75054770074239,B,hcp,20.608276005937565 +1,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,16.0,1.0,13.078071435582832,13.078071435582832,B,hcp,49.32002368205717 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,36.0,1.0,3.2140588024838452,3.2140588024838452,B,hcp,45.01774534914721 +3,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,72.0,1.0,5.001814808898293,-5.001814808898293,B,hcp,41.43431775847601 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,128.0,1.0,9.36809697923294,9.36809697923294,B,hcp,47.70188476507679 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,162.0,1.0,4.57658327447855,4.57658327447855,B,hcp,45.6120227220545 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,243.0,1.0,3.823180946229943,3.823180946229943,B,hcp,45.283419481836475 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,363.0,1.0,7.691581884501049,-7.691581884501049,B,hcp,40.26115151869346 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,507.0,1.0,1.4343326302268504,-1.4343326302268504,B,hcp,42.99030737966109 +9,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,900.0,1.0,1.5814644768722868,1.5814644768722868,B,hcp,44.30567456672125 +10,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,1156.0,1.0,1.6963059306087471,-1.6963059306087471,B,hcp,42.87604535507163 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,1300.0,1.0,2.329056849943868,-2.329056849943868,B,hcp,42.60006531817978 +12,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,1624.0,1.0,3.092699058639857,-3.092699058639857,B,hcp,42.266995861481796 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,2425.0,1.0,1.3475852467478169,-1.3475852467478169,B,hcp,43.02814303562185 +14,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,2909.0,1.0,0.4829120110147516,-0.4829120110147516,B,hcp,43.40527808861832 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,4062.0,1.0,0.724144496054979,-0.724144496054979,B,hcp,43.30006235824708 +16,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,4738.0,1.0,0.5332074965771295,-0.5332074965771295,B,hcp,43.38334125765237 +17,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,6307.0,1.0,0.5757200637185955,-0.5757200637185955,B,hcp,43.364799016954564 +18,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,7207.0,1.0,0.7312121950010491,-0.7312121950010491,B,hcp,43.29697971742227 +19,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,9256.0,1.0,1.0226711764592091,-1.0226711764592091,B,hcp,43.169857246324476 +20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,11637.0,1.0,0.8241120590397858,-0.8241120590397858,B,hcp,43.25646060141435 +21,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,14449.0,1.0,0.2754123293073351,-0.2754123293073351,B,hcp,43.4957809516925 +22,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,17650.0,1.0,0.2953548616203355,-0.2953548616203355,B,hcp,43.487082835837946 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,23287.0,1.0,0.2717493892928104,-0.2717493892928104,B,hcp,43.497378576112254 +24,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,27612.0,1.0,0.2809728084385239,-0.2809728084385239,B,hcp,43.49335569842322 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,35113.0,1.0,0.16521631776890908,-0.16521631776890908,B,hcp,43.543843938881324 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,43862.0,1.0,0.27684627981146104,-0.27684627981146104,B,hcp,43.49515552120962 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.615904530307894,0.0165058948283478,53955.0,1.0,0.09315584085935992,-0.09315584085935992,B,hcp,43.57527376769427 +0,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,4.0,1.0,6.744058281699856,6.744058281699856,E0,hcp,-1.5923573141282172 +1,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,16.0,1.0,5.470463654472632,5.470463654472632,E0,hcp,-1.5733584325741012 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,36.0,1.0,0.9390536495536256,0.9390536495536256,E0,hcp,-1.505761003913441 +3,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,72.0,1.0,3.372299737405088,-3.372299737405088,E0,hcp,-1.4414462756744442 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,128.0,1.0,0.9055895242300422,-0.9055895242300422,E0,hcp,-1.4782434905547168 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,162.0,1.0,0.2353616937321515,-0.2353616937321515,E0,hcp,-1.48824163195205 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,243.0,1.0,0.02246850297469061,-0.02246850297469061,E0,hcp,-1.4914174717588533 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,363.0,1.0,0.4508546436696392,-0.4508546436696392,E0,hcp,-1.4850270101688827 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,507.0,1.0,0.14828731657297026,0.14828731657297026,E0,hcp,-1.4939647262155753 +9,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,900.0,1.0,0.117867649526875,0.117867649526875,E0,hcp,-1.4935109400274358 +10,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,1156.0,1.0,0.030998918767371056,-0.030998918767371056,E0,hcp,-1.49129021905553 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,1300.0,1.0,0.026218167629670046,-0.026218167629670046,E0,hcp,-1.4913615360371373 +12,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,1624.0,1.0,0.02382517468462579,-0.02382517468462579,E0,hcp,-1.4913972335727192 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,2425.0,1.0,0.028254264058993787,0.028254264058993787,E0,hcp,-1.4921741299783275 +14,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,2909.0,1.0,0.022018363830526758,0.022018363830526758,E0,hcp,-1.492081105771652 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,4062.0,1.0,0.0040405767353146535,0.0040405767353146535,E0,hcp,-1.4918129216569227 +16,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,4738.0,1.0,0.0008884496731078987,-0.0008884496731078987,E0,hcp,-1.4917393927750409 +17,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,6307.0,1.0,2.517980172784286e-05,-2.517980172784286e-05,E0,hcp,-1.4917522706261914 +18,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,7207.0,1.0,0.01190475424448716,0.01190475424448716,E0,hcp,-1.4919302357330213 +19,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,9256.0,1.0,0.002253184504821125,0.002253184504821125,E0,hcp,-1.4917862581860255 +20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,11637.0,1.0,0.010105848125377223,-0.010105848125377223,E0,hcp,-1.4916018919897143 +21,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,14449.0,1.0,0.005733674534798222,0.005733674534798222,E0,hcp,-1.49183817848815 +22,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,17650.0,1.0,0.004337957807322572,-0.004337957807322572,E0,hcp,-1.4916879346461662 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,23287.0,1.0,0.003782402182209035,0.003782402182209035,E0,hcp,-1.4918090703311948 +24,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,27612.0,1.0,0.0012595952791087507,-0.0012595952791087507,E0,hcp,-1.491733856200642 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,35113.0,1.0,0.002412971267495653,0.002412971267495653,E0,hcp,-1.491788641809286 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,43862.0,1.0,0.0027239674123275357,-0.0027239674123275357,E0,hcp,-1.4917120113905935 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.49175264624655,1.5283063658344e-05,53955.0,1.0,0.0007325281106046863,0.0007325281106046863,E0,hcp,-1.4917635737540245 +0,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,4.0,1.0,4.029060691229228,4.029060691229228,dB,hcp,7.106857214141624 +1,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,16.0,1.0,9.646304747282986,-9.646304747282986,dB,hcp,6.172609909812097 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,36.0,1.0,12.625302814829107,-12.625302814829107,dB,hcp,5.969096451490168 +3,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,72.0,1.0,2.8522196454409388,-2.8522196454409388,dB,hcp,6.636755143833126 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,128.0,1.0,22.126768699079122,22.126768699079122,dB,hcp,8.343221609440452 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,162.0,1.0,12.014725898944876,-12.014725898944876,dB,hcp,6.01080867046636 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,243.0,1.0,12.672738115586135,-12.672738115586135,dB,hcp,5.965855857879593 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,363.0,1.0,28.016653295609288,28.016653295609288,dB,hcp,8.745595413040903 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,507.0,1.0,30.47225192817124,30.47225192817124,dB,hcp,8.913352275795413 +9,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,900.0,1.0,8.39638706377214,8.39638706377214,dB,hcp,7.405215814430653 +10,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,1156.0,1.0,5.500224833125288,5.500224833125288,dB,hcp,7.207361375436065 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,1300.0,1.0,27.337750193949862,27.337750193949862,dB,hcp,8.699215417165977 +12,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,1624.0,1.0,27.226584781562014,27.226584781562014,dB,hcp,8.691621032407124 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,2425.0,1.0,15.172600927602394,15.172600927602394,dB,hcp,7.868140155597839 +14,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8316075978381,0.00933386045047936,2909.0,1.0,6.006396310466495,6.006396310466495,dB,hcp,7.241941024540195 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+12,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,2909.0,1.0,0.0008769284803306372,0.0008769284803306372,v0,hcp,20.573959670509847 +13,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,4062.0,1.0,0.016478558435753216,0.016478558435753216,v0,hcp,20.577169515416774 +14,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,4738.0,1.0,0.0020506006259697366,0.0020506006259697366,v0,hcp,20.57420113922625 +15,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,6307.0,1.0,0.015216713088366456,0.015216713088366456,v0,hcp,20.576909906140486 +16,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,7207.0,1.0,0.015025751197492472,0.015025751197492472,v0,hcp,20.576870618062607 +17,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,9256.0,1.0,0.0012196478920620823,0.0012196478920620823,v0,hcp,20.574030180845078 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+24,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,43862.0,1.0,0.01509352706904266,0.01509352706904266,v0,hcp,20.576884562120807 +25,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,53955.0,1.0,0.015148031790733454,0.015148031790733454,v0,hcp,20.576895775801926 +26,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,69712.0,1.0,0.0006013517968849133,0.0006013517968849133,v0,hcp,20.573902973971325 +27,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,83317.0,1.0,0.000547734860898971,0.000547734860898971,v0,hcp,20.573891942941273 +28,TetraBloechl,allKp_without_spin,VASP,Co,PBE,20.5737792531801,0.000191938009904656,104062.0,1.0,0.0005938259799405588,0.0005938259799405588,v0,hcp,20.57390142562636 +0,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,27.0,1.0,1.5754705854901239,-1.5754705854901239,B,fcc,237.88500635944473 +1,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,125.0,1.0,0.6548071791646489,0.6548071791646489,B,fcc,243.27542725740852 +2,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,343.0,1.0,0.5113546761805159,0.5113546761805159,B,fcc,242.9287128785067 +3,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,729.0,1.0,1.4157943829494342,1.4157943829494342,B,fcc,245.11467857909287 +4,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,1331.0,1.0,0.041876583309318816,-0.041876583309318816,B,fcc,241.59159272700728 +5,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,2197.0,1.0,0.13298382445299325,0.13298382445299325,B,fcc,242.01421775209 +6,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,3375.0,1.0,0.3158843656705763,-0.3158843656705763,B,fcc,240.92933563076016 +7,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,4913.0,1.0,0.5163002296922242,0.5163002296922242,B,fcc,242.9406659255325 +8,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,6859.0,1.0,0.017001504796360797,-0.017001504796360797,B,fcc,241.65171400211474 +9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,9261.0,1.0,0.11289045068981933,-0.11289045068981933,B,fcc,241.419957318701 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,12167.0,1.0,0.016427959594061254,-0.016427959594061254,B,fcc,241.65310021960445 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,15625.0,1.0,0.008663540694398408,-0.008663540694398408,B,fcc,241.67186626146736 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,19683.0,1.0,0.009639721091238014,0.009639721091238014,B,fcc,241.71610392835967 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,24389.0,1.0,0.11120479263279512,0.11120479263279512,B,fcc,241.96157939909125 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,29791.0,1.0,0.05496856059428983,-0.05496856059428983,B,fcc,241.5599503598229 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,35937.0,1.0,0.01020455635737829,-0.01020455635737829,B,fcc,241.6681417374796 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,42875.0,1.0,0.02483914220260018,0.02483914220260018,B,fcc,241.75283983565075 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,50653.0,1.0,0.01839593308478952,0.01839593308478952,B,fcc,241.7372670627751 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,59319.0,1.0,0.06009371492085507,-0.06009371492085507,B,fcc,241.5475632305491 +19,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,68921.0,1.0,0.0007931217400749768,0.0007931217400749768,B,fcc,241.694722334204 +20,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,79507.0,1.0,0.05242310117591795,0.05242310117591795,B,fcc,241.81950827993816 +21,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,91125.0,1.0,0.0135140524769752,-0.0135140524769752,B,fcc,241.66014292346298 +22,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,103823.0,1.0,0.019242868943099702,-0.019242868943099702,B,fcc,241.6462967862289 +23,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,117649.0,1.0,0.028991045606347545,0.028991045606347545,B,fcc,241.76287468746543 +24,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,132651.0,1.0,0.005050525631359323,0.005050525631359323,B,fcc,241.7050121731067 +25,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,148877.0,1.0,0.0019215828133262844,0.0019215828133262844,B,fcc,241.69744974342998 +26,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,166375.0,1.0,0.0016551631333145942,0.0016551631333145942,B,fcc,241.69680582623116 +27,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,185193.0,1.0,0.02657848343990909,0.02657848343990909,B,fcc,241.75704369828296 +28,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,205379.0,1.0,0.012647815861783195,0.012647815861783195,B,fcc,241.7233742770002 +29,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,226981.0,1.0,0.019743916171523976,-0.019743916171523976,B,fcc,241.6450857911261 +30,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,250047.0,1.0,0.013008447878685315,0.013008447878685315,B,fcc,241.7242458986391 +31,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,274625.0,1.0,0.026174530515700668,0.026174530515700668,B,fcc,241.75606737312785 +32,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,300763.0,1.0,0.02096551989954309,0.02096551989954309,B,fcc,241.74347756923527 +33,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,328509.0,1.0,0.012166132807241535,0.012166132807241535,B,fcc,241.72221008371247 +34,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,241.69280541602,0.00647338126263803,357911.0,1.0,0.012779620760166843,-0.012779620760166843,B,fcc,241.66191799208323 +0,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,27.0,1.0,1.6683054879559918,-1.6683054879559918,E0,fcc,-8.939898214447942 +1,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,125.0,1.0,0.07354702529306867,0.07354702529306867,E0,fcc,-9.098260014784044 +2,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,343.0,1.0,0.02320687299052137,0.02320687299052137,E0,fcc,-9.093683302871188 +3,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,729.0,1.0,0.10134498504978262,0.10134498504978262,E0,fcc,-9.100787286708195 +4,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,1331.0,1.0,0.024481966863234537,0.024481966863234537,E0,fcc,-9.093799228966969 +5,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,2197.0,1.0,0.022722830906661037,0.022722830906661037,E0,fcc,-9.093639295829687 +6,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,3375.0,1.0,0.003354842381285921,0.003354842381285921,E0,fcc,-9.091878440930415 +7,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,4913.0,1.0,0.005806257617681557,0.005806257617681557,E0,fcc,-9.092101313146781 +8,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,6859.0,1.0,0.001580985073971916,0.001580985073971916,E0,fcc,-9.091717169390723 +9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,9261.0,1.0,0.0011038414264651236,0.0011038414264651236,E0,fcc,-9.091673789525633 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,12167.0,1.0,0.0016580838612541846,-0.0016580838612541846,E0,fcc,-9.091422687059934 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,15625.0,1.0,0.0004800817202740699,0.0004800817202740699,E0,fcc,-9.091617079953895 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,19683.0,1.0,0.0006711859811627472,-0.0006711859811627472,E0,fcc,-9.091512411605411 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,24389.0,1.0,9.616678928908704e-05,-9.616678928908704e-05,E0,fcc,-9.091564689897492 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,29791.0,1.0,0.0007144970953832397,-0.0007144970953832397,E0,fcc,-9.091508473943657 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,35937.0,1.0,9.764170766898531e-05,-9.764170766898531e-05,E0,fcc,-9.091564555804206 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,42875.0,1.0,0.00023619789340728492,-0.00023619789340728492,E0,fcc,-9.091551958866834 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,50653.0,1.0,0.00016471101208279958,0.00016471101208279958,E0,fcc,-9.091588407794378 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,59319.0,1.0,0.00042838411213001927,-0.00042838411213001927,E0,fcc,-9.09153448611563 +19,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,68921.0,1.0,5.5563217930983165e-05,-5.5563217930983165e-05,E0,fcc,-9.091568381401 +20,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,79507.0,1.0,0.00014797806746780817,0.00014797806746780817,E0,fcc,-9.091586886506429 +21,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,91125.0,1.0,8.007329922997835e-05,-8.007329922997835e-05,E0,fcc,-9.09156615304896 +22,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,103823.0,1.0,5.891415710433669e-05,-5.891415710433669e-05,E0,fcc,-9.091568076747905 +23,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,117649.0,1.0,1.623926751118212e-05,1.623926751118212e-05,E0,fcc,-9.09157490937669 +24,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,132651.0,1.0,8.897720857430818e-06,-8.897720857430818e-06,E0,fcc,-9.091572624028935 +25,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,148877.0,1.0,8.43993394135334e-07,8.43993394135334e-07,E0,fcc,-9.09157350970404 +26,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,166375.0,1.0,1.6363834888780532e-05,1.6363834888780532e-05,E0,fcc,-9.091574920701824 +27,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.09157343297176,5.32178191476961e-07,185193.0,1.0,2.969224279325717e-05,2.969224279325717e-05,E0,fcc,-9.091576132463816 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+26,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,239.906038667057,0.0051589213560071295,69712.0,1.0,0.0003369830742038472,-0.0003369830742038472,B,hcp,239.9052302243127 +27,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,239.906038667057,0.0051589213560071295,83317.0,1.0,0.00797036477451018,-0.00797036477451018,B,hcp,239.8869172806592 +28,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,239.906038667057,0.0051589213560071295,104062.0,1.0,0.0006738092474254115,0.0006738092474254115,B,hcp,239.90765517613067 +0,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,4.0,1.0,11.607604641262045,11.607604641262045,E0,hcp,-20.275323798619205 +1,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,16.0,1.0,0.1224884128002129,-0.1224884128002129,E0,hcp,-18.144362959315266 +2,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,72.0,1.0,0.036335922161464314,-0.036335922161464314,E0,hcp,-18.160013950566015 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+9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,1156.0,1.0,0.007493568282435877,-0.007493568282435877,E0,hcp,-18.165253629939944 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,1300.0,1.0,0.0026565864875423353,-0.0026565864875423353,E0,hcp,-18.166132345798186 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,1624.0,1.0,0.006699414901035253,-0.006699414901035253,E0,hcp,-18.165397900726916 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,2425.0,1.0,0.002408828075214541,0.002408828075214541,E0,hcp,-18.16705256015781 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,2909.0,1.0,0.003431269805591475,0.003431269805591475,E0,hcp,-18.167238303210137 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,4738.0,1.0,0.0014795328707656295,0.0014795328707656295,E0,hcp,-18.1668837386762 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,6307.0,1.0,0.000569145490907057,-0.000569145490907057,E0,hcp,-18.16651156316652 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,7207.0,1.0,0.0001109194771330557,-0.0001109194771330557,E0,hcp,-18.166594807322074 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,9256.0,1.0,0.000669404850992997,-0.000669404850992997,E0,hcp,-18.16649334943461 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-18.166614957636398,2.53898514527548e-06,11637.0,1.0,2.7174397585800067e-06,-2.7174397585800067e-06,E0,hcp,-18.16661446396958 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+6,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,363.0,1.0,0.5812638835412431,0.5812638835412431,dB,hcp,4.26684279656644 +7,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,507.0,1.0,0.6668088757265239,0.6668088757265239,dB,hcp,4.270471772974121 +8,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,900.0,1.0,0.3174003231112291,-0.3174003231112291,dB,hcp,4.228719802793694 +9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,1156.0,1.0,1.2975230950884886,1.2975230950884886,dB,hcp,4.297227833891118 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,1300.0,1.0,0.3564963004178393,0.3564963004178393,dB,hcp,4.257307740971372 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,1624.0,1.0,1.0473230523261794,-1.0473230523261794,dB,hcp,4.197755133838976 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,2425.0,1.0,0.7040593974810917,0.7040593974810917,dB,hcp,4.272052008837938 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,2909.0,1.0,0.2451050869784615,0.2451050869784615,dB,hcp,4.252582320169195 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,4738.0,1.0,0.07920133951992503,-0.07920133951992503,dB,hcp,4.238824643178905 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,6307.0,1.0,0.07365555450383399,0.07365555450383399,dB,hcp,4.245309114659856 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,7207.0,1.0,0.32497361196390323,0.32497361196390323,dB,hcp,4.255970490364601 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,9256.0,1.0,0.1484173978986429,-0.1484173978986429,dB,hcp,4.235888370271836 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,11637.0,1.0,0.16866356555865802,0.16866356555865802,dB,hcp,4.249339529788212 +19,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,14449.0,1.0,0.3998495648801447,-0.3998495648801447,dB,hcp,4.225222153830648 +20,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,17650.0,1.0,0.09461271621320108,-0.09461271621320108,dB,hcp,4.238170864144024 +21,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,23287.0,1.0,0.13008755335753772,-0.13008755335753772,dB,hcp,4.236665956097691 +22,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,27612.0,1.0,0.111809907073619,-0.111809907073619,dB,hcp,4.237441327577165 +23,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,35113.0,1.0,0.10142483312081252,0.10142483312081252,dB,hcp,4.2464871386959215 +24,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,43862.0,1.0,0.0349569334250528,0.0349569334250528,dB,hcp,4.243667447750816 +25,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,53955.0,1.0,0.2177246319413668,-0.2177246319413668,dB,hcp,4.232948229524872 +26,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,69712.0,1.0,0.10945856826624424,0.10945856826624424,dB,hcp,4.246827944563846 +27,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,83317.0,1.0,0.03121778264592497,-0.03121778264592497,dB,hcp,4.240860194196026 +28,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.242184510135839,0.00141744036764436,104062.0,1.0,0.015381360618352694,-0.015381360618352694,dB,hcp,4.24153200443824 +0,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,4.0,1.0,12.718983801708298,-12.718983801708298,v0,hcp,20.554508591373246 +1,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,16.0,1.0,0.3646981732327417,0.3646981732327417,v0,hcp,23.63569010454157 +2,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,72.0,1.0,0.13788734046419976,0.13788734046419976,v0,hcp,23.582276597070866 +3,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,128.0,1.0,0.1633175781400128,-0.1633175781400128,v0,hcp,23.51134342790211 +4,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,162.0,1.0,0.049598195569170785,-0.049598195569170785,v0,hcp,23.53812412006027 +5,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,243.0,1.0,0.00873867184954759,-0.00873867184954759,v0,hcp,23.547746457974238 +6,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,363.0,1.0,0.01115633043832065,-0.01115633043832065,v0,hcp,23.547177104105568 +7,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,507.0,1.0,0.03153781664989059,0.03153781664989059,v0,hcp,23.557231492234287 +8,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,900.0,1.0,0.0017108098119971939,-0.0017108098119971939,v0,hcp,23.549401505737446 +9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,1156.0,1.0,0.00617228043776267,-0.00617228043776267,v0,hcp,23.54835083813181 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,1300.0,1.0,0.009273547949129162,0.009273547949129162,v0,hcp,23.551988300504583 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,1624.0,1.0,0.018648828822616342,0.018648828822616342,v0,hcp,23.55419616081207 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,2425.0,1.0,0.0013925348751058358,-0.0013925348751058358,v0,hcp,23.549476458862532 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,2909.0,1.0,0.010678028279604877,0.010678028279604877,v0,hcp,23.552319052875227 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,4738.0,1.0,0.005479662081346296,0.005479662081346296,v0,hcp,23.55109484780364 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,6307.0,1.0,0.0007610721140395838,0.0007610721140395838,v0,hcp,23.549983629095987 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,7207.0,1.0,0.0009814997051339274,-0.0009814997051339274,v0,hcp,23.54957325684107 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,9256.0,1.0,0.0009507100851558613,0.0009507100851558613,v0,hcp,23.55002828846725 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,11637.0,1.0,0.0005849397596366913,0.0005849397596366913,v0,hcp,23.549942150271047 +19,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,14449.0,1.0,0.002398307723423029,0.002398307723423029,v0,hcp,23.550369194879533 +20,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,17650.0,1.0,0.0021711729542212427,0.0021711729542212427,v0,hcp,23.550315705085662 +21,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,23287.0,1.0,7.301963189339719e-05,-7.301963189339719e-05,v0,hcp,23.54978720212132 +22,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,27612.0,1.0,0.0013008695967514613,0.0013008695967514613,v0,hcp,23.550110750347308 +23,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,35113.0,1.0,0.0002889261242039453,-0.0002889261242039453,v0,hcp,23.549736356564694 +24,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,43862.0,1.0,0.00019173489927520776,-0.00019173489927520776,v0,hcp,23.549759244908056 +25,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,53955.0,1.0,0.0013750555789209756,0.0013750555789209756,v0,hcp,23.550128221001007 +26,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,69712.0,1.0,0.0003785391175819279,0.0003785391175819279,v0,hcp,23.549893543323563 +27,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,83317.0,1.0,0.0003593089155045599,-0.0003593089155045599,v0,hcp,23.549719781555012 +28,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,23.549804398101802,4.71475321717192e-05,104062.0,1.0,0.00030449316753189285,0.00030449316753189285,v0,hcp,23.549876105647158 +0,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,216.0,1.0,0.02208940739475765,0.02208940739475765,B,bcc,135.71187439414416 +1,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,512.0,1.0,0.4352397030028847,-0.4352397030028847,B,bcc,135.0913615538827 +2,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,1000.0,1.0,0.4844782037506293,-0.4844782037506293,B,bcc,135.02455381902706 +3,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,1728.0,1.0,0.23456168747488146,-0.23456168747488146,B,bcc,135.36364530438578 +4,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,2744.0,1.0,0.4861082579384522,0.4861082579384522,B,bcc,136.34146400114597 +5,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,4096.0,1.0,0.09619738885903334,0.09619738885903334,B,bcc,135.81242551371858 +6,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,5832.0,1.0,0.00856321262592946,-0.00856321262592946,B,bcc,135.67028433596056 +7,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,8000.0,1.0,0.18945870108516386,0.18945870108516386,B,bcc,135.93896423697112 +8,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,10648.0,1.0,0.1741977545011027,0.1741977545011027,B,bcc,135.91825789422 +9,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,13824.0,1.0,0.2578493815592638,0.2578493815592638,B,bcc,136.03175801375804 +10,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,17576.0,1.0,0.20740856534193505,0.20740856534193505,B,bcc,135.96331895439243 +11,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,21952.0,1.0,0.190878721177902,0.190878721177902,B,bcc,135.94089094725686 +12,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,27000.0,1.0,0.1422676574941307,0.1422676574941307,B,bcc,135.87493453095018 +13,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,32768.0,1.0,0.10533612768880912,0.10533612768880912,B,bcc,135.824825128479 +14,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,39304.0,1.0,0.10357654404232963,0.10357654404232963,B,bcc,135.82243769190143 +15,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,46656.0,1.0,0.02599493197398973,0.02599493197398973,B,bcc,135.71717348421794 +16,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,54872.0,1.0,0.0310626834052779,0.0310626834052779,B,bcc,135.72404950580258 +17,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,64000.0,1.0,0.021994078862504013,0.021994078862504013,B,bcc,135.71174505057743 +18,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,74088.0,1.0,0.033520118183871316,0.033520118183871316,B,bcc,135.72738380007678 +19,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,85184.0,1.0,0.03606451931084148,0.03606451931084148,B,bcc,135.73083609194748 +20,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,97336.0,1.0,0.022962052588069156,0.022962052588069156,B,bcc,135.71305841574946 +21,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,110592.0,1.0,0.012612573392690495,0.012612573392690495,B,bcc,135.69901604541977 +22,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,125000.0,1.0,0.01659579453265495,0.01659579453265495,B,bcc,135.7044205556658 +23,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,140608.0,1.0,0.023694925350750448,0.023694925350750448,B,bcc,135.71405279146092 +24,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,157464.0,1.0,0.01436728644019897,0.01436728644019897,B,bcc,135.70139687347594 +25,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,175616.0,1.0,0.01797851894405966,0.01797851894405966,B,bcc,135.70629666246134 +26,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,195112.0,1.0,0.0007059745123577196,-0.0007059745123577196,B,bcc,135.68094518616147 +27,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,216000.0,1.0,0.008506185360198364,-0.008506185360198364,B,bcc,135.67036171163997 +28,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,238328.0,1.0,0.011183935521832434,-0.011183935521832434,B,bcc,135.66672848926132 +29,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,262144.0,1.0,0.005944209458777943,-0.005944209458777943,B,bcc,135.67383784929908 +30,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,287496.0,1.0,0.004327701974533126,0.004327701974533126,B,bcc,135.68777497421306 +31,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,314432.0,1.0,0.009625021143945131,0.009625021143945131,B,bcc,135.69496247767356 +32,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,135.681903065815,0.0057187263894121895,343000.0,1.0,0.011087164255282582,0.011087164255282582,B,bcc,135.6969463412726 +0,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,216.0,1.0,0.5863502985917028,0.5863502985917028,E0,bcc,-3.714333916336516 +1,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,512.0,1.0,0.2050100037445031,0.2050100037445031,E0,bcc,-3.700252232424017 +2,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,1000.0,1.0,0.06202175756149007,0.06202175756149007,E0,bcc,-3.6949721313878574 +3,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,1728.0,1.0,0.04200251791423242,0.04200251791423242,E0,bcc,-3.6942328845558534 +4,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,2744.0,1.0,0.02898425512357607,0.02898425512357607,E0,bcc,-3.6937521615266204 +5,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,4096.0,1.0,0.01657965567983259,0.01657965567983259,E0,bcc,-3.6932940991325114 +6,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,5832.0,1.0,0.0076221484001349205,0.0076221484001349205,E0,bcc,-3.69296332688562 +7,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,8000.0,1.0,0.005597894284305256,0.005597894284305256,E0,bcc,-3.692888577620979 +8,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,10648.0,1.0,0.00533200357731522,0.00533200357731522,E0,bcc,-3.6928787591230607 +9,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,13824.0,1.0,0.004863738543937346,0.004863738543937346,E0,bcc,-3.6928614675850926 +10,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,17576.0,1.0,0.0033335113070069905,0.0033335113070069905,E0,bcc,-3.6928049611614178 +11,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,21952.0,1.0,0.002494987364636497,0.002494987364636497,E0,bcc,-3.6927739971398634 +12,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,27000.0,1.0,0.0022675961451455325,0.0022675961451455325,E0,bcc,-3.692765600305538 +13,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,32768.0,1.0,0.001995929012238213,0.001995929012238213,E0,bcc,-3.6927555685025872 +14,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,39304.0,1.0,0.0015029902689095524,0.0015029902689095524,E0,bcc,-3.6927373658430054 +15,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,46656.0,1.0,0.0007939472906178741,0.0007939472906178741,E0,bcc,-3.6927111831415296 +16,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,54872.0,1.0,0.0007090554410039481,0.0007090554410039481,E0,bcc,-3.6927080483555934 +17,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,64000.0,1.0,0.0007530118376698988,0.0007530118376698988,E0,bcc,-3.6927096715254826 +18,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,74088.0,1.0,0.0007569691864308591,0.0007569691864308591,E0,bcc,-3.692709817657783 +19,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,85184.0,1.0,0.0005357576470578676,0.0005357576470578676,E0,bcc,-3.692701649019385 +20,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,97336.0,1.0,0.0004615449837287047,0.0004615449837287047,E0,bcc,-3.6926989085818236 +21,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,110592.0,1.0,0.00047373109743940585,0.00047373109743940585,E0,bcc,-3.692699358576235 +22,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,125000.0,1.0,0.0004817066283262756,0.0004817066283262756,E0,bcc,-3.692699653087218 +23,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,140608.0,1.0,0.00039569823805721087,0.00039569823805721087,E0,bcc,-3.692696477070988 +24,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,157464.0,1.0,0.0002632307843418012,0.0002632307843418012,E0,bcc,-3.692691585469347 +25,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,175616.0,1.0,0.0002535658943511833,0.0002535658943511833,E0,bcc,-3.692691228575707 +26,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,195112.0,1.0,0.00023484312630426754,0.00023484312630426754,E0,bcc,-3.6926905372034473 +27,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,216000.0,1.0,0.0001993110023983876,0.0001993110023983876,E0,bcc,-3.692689225115151 +28,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,238328.0,1.0,0.00013951752647761994,0.00013951752647761994,E0,bcc,-3.6926870171323087 +29,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,262144.0,1.0,0.00013412985762504984,0.00013412985762504984,E0,bcc,-3.6926868181828394 +30,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,287496.0,1.0,0.00017189570028979916,0.00017189570028979916,E0,bcc,-3.6926882127552614 +31,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,314432.0,1.0,0.0001919286902512989,0.0001919286902512989,E0,bcc,-3.6926889525098487 +32,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-3.69268186519391,6.231536790937769e-07,343000.0,1.0,0.0001477420806828446,0.0001477420806828446,E0,bcc,-3.6926873208389304 +0,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,216.0,1.0,1.1394228091053922,-1.1394228091053922,dB,bcc,4.983425466068866 +1,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,512.0,1.0,0.18022342805024236,-0.18022342805024236,dB,bcc,5.031777385088695 +2,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,1000.0,1.0,0.9106150866193938,0.9106150866193938,dB,bcc,5.0867650514349725 +3,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,1728.0,1.0,0.3807015136107843,-0.3807015136107843,dB,bcc,5.021671561054895 +4,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,2744.0,1.0,2.4577432268103903,2.4577432268103903,dB,bcc,5.164753649035531 +5,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,4096.0,1.0,0.5460826389422062,-0.5460826389422062,dB,bcc,5.013334926422544 +6,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,5832.0,1.0,0.138729646630301,-0.138729646630301,dB,bcc,5.033869029431539 +7,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,8000.0,1.0,3.7393788412066447,3.7393788412066447,dB,bcc,5.229359134260145 +8,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,10648.0,1.0,1.5530271962843654,1.5530271962843654,dB,bcc,5.119148160637682 +9,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,13824.0,1.0,1.8753958036246896,1.8753958036246896,dB,bcc,5.135398317908955 +10,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,17576.0,1.0,1.6673834323572012,1.6673834323572012,dB,bcc,5.124912700914932 +11,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,21952.0,1.0,0.9463838612325268,0.9463838612325268,dB,bcc,5.08856810607376 +12,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,27000.0,1.0,0.49155422263864,0.49155422263864,dB,bcc,5.065640770748629 +13,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,32768.0,1.0,0.2893701878495267,0.2893701878495267,dB,bcc,5.055448952165017 +14,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,39304.0,1.0,0.03251266001198614,-0.03251266001198614,dB,bcc,5.0392232813596936 +15,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,46656.0,1.0,0.00712055041684222,0.00712055041684222,dB,bcc,5.041221136882747 +16,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,54872.0,1.0,0.31830760501988986,-0.31830760501988986,dB,bcc,5.024816752007999 +17,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,64000.0,1.0,0.2026907011844224,-0.2026907011844224,dB,bcc,5.03064484080996 +18,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,74088.0,1.0,0.1168146598575926,-0.1168146598575926,dB,bcc,5.0349737337158444 +19,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,85184.0,1.0,0.3792346726319418,-0.3792346726319418,dB,bcc,5.021745502487328 +20,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,97336.0,1.0,0.466064469032486,-0.466064469032486,dB,bcc,5.017368532102454 +21,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,110592.0,1.0,0.01033646300315553,-0.01033646300315553,dB,bcc,5.0403411528920525 +22,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,125000.0,1.0,0.08989058732952951,-0.08989058732952951,dB,bcc,5.036330939110544 +23,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,140608.0,1.0,0.06637751972891354,-0.06637751972891354,dB,bcc,5.037516200447225 +24,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,157464.0,1.0,0.056653785390278835,-0.056653785390278835,dB,bcc,5.0380063604959044 +25,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,175616.0,1.0,0.3164463701237765,-0.3164463701237765,dB,bcc,5.024910574294325 +26,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,195112.0,1.0,0.25451921446470777,-0.25451921446470777,dB,bcc,5.0280322368753225 +27,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,216000.0,1.0,0.07311354672990364,-0.07311354672990364,dB,bcc,5.037176646608368 +28,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,238328.0,1.0,0.17728036381503665,0.17728036381503665,dB,bcc,5.049798658595499 +29,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,262144.0,1.0,0.1123253959600734,0.1123253959600734,dB,bcc,5.04652436817404 +30,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,287496.0,1.0,0.07670998915372074,0.07670998915372074,dB,bcc,5.0447290445950514 +31,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,314432.0,1.0,0.09056089028556122,-0.09056089028556122,dB,bcc,5.03629715006221 +32,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.0408621997483705,0.00280839185657327,343000.0,1.0,0.07786470557148252,-0.07786470557148252,dB,bcc,5.036937147238272 +0,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,216.0,1.0,0.2089306831559569,0.2089306831559569,v0,bcc,12.085909074796767 +1,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,512.0,1.0,0.0878218251423535,0.0878218251423535,v0,bcc,12.071302485981514 +2,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,1000.0,1.0,0.0823887517532005,0.0823887517532005,v0,bcc,12.07064721872609 +3,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,1728.0,1.0,0.05316388738467264,0.05316388738467264,v0,bcc,12.067122492426016 +4,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,2744.0,1.0,0.03442304726949489,0.03442304726949489,v0,bcc,12.064862213945114 +5,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,4096.0,1.0,0.03397492695906442,0.03397492695906442,v0,bcc,12.064808167451556 +6,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,5832.0,1.0,0.026272455202263668,0.026272455202263668,v0,bcc,12.063879194627786 +7,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,8000.0,1.0,0.016036724132506782,0.016036724132506782,v0,bcc,12.062644692730801 +8,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,10648.0,1.0,0.011693705700365068,0.011693705700365068,v0,bcc,12.062120893848574 +9,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,13824.0,1.0,0.008003022333622703,0.008003022333622703,v0,bcc,12.061675771210401 +10,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,17576.0,1.0,0.006346161486962262,0.006346161486962262,v0,bcc,12.06147594201947 +11,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,21952.0,1.0,0.008120332856034921,0.008120332856034921,v0,bcc,12.061689919692952 +12,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,27000.0,1.0,0.008151169677989912,0.008151169677989912,v0,bcc,12.061693638832793 +13,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,32768.0,1.0,0.007446157632554888,0.007446157632554888,v0,bcc,12.061608609370651 +14,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,39304.0,1.0,0.0068000360960197796,0.0068000360960197796,v0,bcc,12.061530682522328 +15,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,46656.0,1.0,0.0062533882538075725,0.0062533882538075725,v0,bcc,12.061464752908352 +16,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,54872.0,1.0,0.00568090410500222,0.00568090410500222,v0,bcc,12.06139570725222 +17,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,64000.0,1.0,0.004114977388968324,0.004114977388968324,v0,bcc,12.061206845363573 +18,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,74088.0,1.0,0.0030809813991748715,0.0030809813991748715,v0,bcc,12.061082138100153 +19,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,85184.0,1.0,0.003002633525633234,0.003002633525633234,v0,bcc,12.0610726887899 +20,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,97336.0,1.0,0.003287232762674133,0.003287232762674133,v0,bcc,12.061107013480107 +21,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,110592.0,1.0,0.0024428179791378193,0.0024428179791378193,v0,bcc,12.061005171057225 +22,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,125000.0,1.0,0.0022275727464157505,0.0022275727464157505,v0,bcc,12.060979210952734 +23,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,140608.0,1.0,0.0019282855281070972,0.0019282855281070972,v0,bcc,12.06094311478762 +24,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,157464.0,1.0,0.0021404729880245537,0.0021404729880245537,v0,bcc,12.060968706102983 +25,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,175616.0,1.0,0.002545146966815884,0.002545146966815884,v0,bcc,12.061017512660234 +26,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,195112.0,1.0,0.00218491125930194,0.00218491125930194,v0,bcc,12.060974065674255 +27,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,216000.0,1.0,0.001307172728029094,0.001307172728029094,v0,bcc,12.060868204170616 +28,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,238328.0,1.0,0.0006546603336887972,0.0006546603336887972,v0,bcc,12.06078950653943 +29,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,262144.0,1.0,0.0006897643145816651,0.0006897643145816651,v0,bcc,12.060793740328961 +30,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,287496.0,1.0,0.0005984722826897527,0.0005984722826897527,v0,bcc,12.060782729861238 +31,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,314432.0,1.0,0.0010187454800774992,0.0010187454800774992,v0,bcc,12.060833417795092 +32,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,12.060710549851501,1.98340021622637e-05,343000.0,1.0,0.0008803833644745476,0.0008803833644745476,v0,bcc,12.06081673034082 +0,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,16.0,1.0,2.746489945493088,-2.746489945493088,B,hcp,132.87076584532682 +1,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,36.0,1.0,0.27526959180289706,-0.27526959180289706,B,hcp,136.2470238413965 +2,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,72.0,1.0,0.2330296005187356,-0.2330296005187356,B,hcp,136.3047334293392 +3,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,128.0,1.0,0.047064229142195116,-0.047064229142195116,B,hcp,136.55880509525298 +4,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,162.0,1.0,0.3773239229303624,0.3773239229303624,B,hcp,137.13861736886614 +5,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,243.0,1.0,0.4413264119409669,0.4413264119409669,B,hcp,137.22605955708207 +6,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,363.0,1.0,0.3022198930564399,0.3022198930564399,B,hcp,137.03600791074143 +7,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,507.0,1.0,0.2084845133079358,0.2084845133079358,B,hcp,136.90794372378298 +8,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,900.0,1.0,0.15224889652021714,0.15224889652021714,B,hcp,136.83111287761423 +9,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,1156.0,1.0,0.17609394238254772,0.17609394238254772,B,hcp,136.86369071982855 +10,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,1300.0,1.0,0.2082436456328028,-0.2082436456328028,B,hcp,136.33859677068344 +11,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,1624.0,1.0,0.20768213588482065,0.20768213588482065,B,hcp,136.90684749082806 +12,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,2425.0,1.0,0.12118340906810103,0.12118340906810103,B,hcp,136.7886702438542 +13,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,2909.0,1.0,0.1649214948504249,-0.1649214948504249,B,hcp,136.3977848385413 +14,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,4062.0,1.0,0.11010151898539987,0.11010151898539987,B,hcp,136.7735298214522 +15,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,4738.0,1.0,0.06090005969125066,0.06090005969125066,B,hcp,136.70630925971147 +16,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,6307.0,1.0,0.020040908978110426,0.020040908978110426,B,hcp,136.65048621904177 +17,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,7207.0,1.0,0.0038216601632648,-0.0038216601632648,B,hcp,136.6178844359794 +18,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,9256.0,1.0,0.040526145006795404,-0.040526145006795404,B,hcp,136.56773762885248 +19,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,11637.0,1.0,0.07933141188778538,-0.07933141188778538,B,hcp,136.51472066806187 +20,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,14449.0,1.0,0.034337015701500426,-0.034337015701500426,B,hcp,136.5761934095256 +21,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,17650.0,1.0,0.05888544776638047,-0.05888544776638047,B,hcp,136.54265457923623 +22,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,23287.0,1.0,0.0665680650066693,-0.0665680650066693,B,hcp,136.53215834896298 +23,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,27612.0,1.0,0.07001919514617151,-0.07001919514617151,B,hcp,136.5274433077844 +24,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,35113.0,1.0,0.038723526314319315,-0.038723526314319315,B,hcp,136.5702004224942 +25,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,43862.0,1.0,0.02278505405639368,-0.02278505405639368,B,hcp,136.59197605829522 +26,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,53955.0,1.0,0.016701430925879245,-0.016701430925879245,B,hcp,136.6002876931556 +27,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,69712.0,1.0,0.0024124818552406398,0.0024124818552406398,B,hcp,136.62640171441925 +28,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,136.623105706784,0.00678736085842925,83317.0,1.0,0.015371605182897053,-0.015371605182897053,B,hcp,136.60210454238614 +0,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,16.0,1.0,1.8352091744582433,-1.8352091744582433,E0,hcp,-7.303268526676648 +1,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,36.0,1.0,0.5183109889088053,0.5183109889088053,E0,hcp,-7.47836582573334 +2,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,72.0,1.0,0.025460024277625875,-0.025460024277625875,E0,hcp,-7.43791032541672 +3,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,128.0,1.0,0.03836358141294866,0.03836358141294866,E0,hcp,-7.442658676905875 +4,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,162.0,1.0,0.15191358179637965,0.15191358179637965,E0,hcp,-7.451106574945798 +5,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,243.0,1.0,0.1245407356012895,0.1245407356012895,E0,hcp,-7.4490700887024 +6,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,363.0,1.0,0.06272211446212947,0.06272211446212947,E0,hcp,-7.444470904144155 +7,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,507.0,1.0,0.02736005735228877,0.02736005735228877,E0,hcp,-7.441840036227491 +8,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,900.0,1.0,0.013401701883215857,0.013401701883215857,E0,hcp,-7.440801561868976 +9,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,1156.0,1.0,0.008111914158580367,0.008111914158580367,E0,hcp,-7.440408012003721 +10,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,1300.0,1.0,0.011118777175318874,0.011118777175318874,E0,hcp,-7.440631716733793 +11,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,1624.0,1.0,0.003946588715048509,0.003946588715048509,E0,hcp,-7.440098119933873 +12,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,2425.0,1.0,0.001152864420721849,0.001152864420721849,E0,hcp,-7.439890272308066 +13,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,2909.0,1.0,0.0015665369211935714,-0.0015665369211935714,E0,hcp,-7.439687954164618 +14,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,4062.0,1.0,0.00013883920768715413,-0.00013883920768715413,E0,hcp,-7.439794172083374 +15,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,4738.0,1.0,0.0009008504883183172,0.0009008504883183172,E0,hcp,-7.43987152296418 +16,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,6307.0,1.0,0.0010732512283507423,0.0010732512283507423,E0,hcp,-7.439884349242195 +17,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,7207.0,1.0,0.0013792521178653107,0.0013792521178653107,E0,hcp,-7.439907115110147 +18,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,9256.0,1.0,0.001112176720542302,0.001112176720542302,E0,hcp,-7.4398872452227165 +19,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,11637.0,1.0,0.0007264391284717451,0.0007264391284717451,E0,hcp,-7.439858547099978 +20,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,14449.0,1.0,0.00019432903889580067,0.00019432903889580067,E0,hcp,-7.439818959149583 +21,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,17650.0,1.0,4.495200824087332e-06,-4.495200824087332e-06,E0,hcp,-7.439804167014845 +22,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,23287.0,1.0,0.00012363724941306332,-0.00012363724941306332,E0,hcp,-7.43979530307935 +23,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,27612.0,1.0,1.229350366370457e-05,-1.229350366370457e-05,E0,hcp,-7.439803586836359 +24,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,35113.0,1.0,0.00014306357215738646,0.00014306357215738646,E0,hcp,-7.439815145099079 +25,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,43862.0,1.0,0.00018477127206247332,0.00018477127206247332,E0,hcp,-7.439818248070413 +26,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,53955.0,1.0,0.00012681320735245222,0.00012681320735245222,E0,hcp,-7.439813936103706 +27,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,69712.0,1.0,8.194916835673709e-05,8.194916835673709e-05,E0,hcp,-7.439810598306916 +28,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,-7.439804501448997,1.99402018601556e-06,83317.0,1.0,2.7719057323249822e-05,2.7719057323249822e-05,E0,hcp,-7.439806563692674 +0,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,16.0,1.0,0.9076461565772752,-0.9076461565772752,dB,hcp,4.9554877429799005 +1,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,36.0,1.0,0.07870065330100108,0.07870065330100108,dB,hcp,5.004813743797304 +2,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,72.0,1.0,0.05328755481014361,-0.05328755481014361,dB,hcp,4.9982131745087175 +3,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,128.0,1.0,0.7855894721716857,-0.7855894721716857,dB,hcp,4.9615916488824325 +4,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,162.0,1.0,0.7550860736591084,-0.7550860736591084,dB,hcp,4.963117086634039 +5,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,243.0,1.0,0.3807585171689105,-0.3807585171689105,dB,hcp,4.981836751129827 +6,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,363.0,1.0,0.437123447477044,-0.437123447477044,dB,hcp,4.979018009718989 +7,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,507.0,1.0,0.3894310105366892,-0.3894310105366892,dB,hcp,4.981403050315201 +8,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,900.0,1.0,0.6924339588535552,-0.6924339588535552,dB,hcp,4.966250242472492 +9,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,1156.0,1.0,0.5023744774241147,-0.5023744774241147,dB,hcp,4.975754885304461 +10,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,1300.0,1.0,4.8243741665001645,-4.8243741665001645,dB,hcp,4.7596169528236 +11,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,1624.0,1.0,0.08505753269553104,-0.08505753269553104,dB,hcp,4.996624396667649 +12,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,2425.0,1.0,0.30215940587582263,0.30215940587582263,dB,hcp,5.015988643438863 +13,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,2909.0,1.0,0.09268508104695393,-0.09268508104695393,dB,hcp,4.996242952278668 +14,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,4062.0,1.0,1.5836540044189722,-1.5836540044189722,dB,hcp,4.921681415102867 +15,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,4738.0,1.0,0.7615770589512965,-0.7615770589512965,dB,hcp,4.9627924803772725 +16,TetraBloechl,allKp_without_spin,VASP,Cu,PBE,5.00087802012468,0.00128285623424285,6307.0,1.0,0.9042481317716408,-0.9042481317716408,dB,hcp,4.955657674055524 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+1,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,36.0,1.0,0.1800118010487789,-0.1800118010487789,v0,hcp,44.47037948339911 +2,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,72.0,1.0,0.03012515776584852,-0.03012515776584852,v0,hcp,44.53715484599481 +3,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,128.0,1.0,0.10920626721374728,-0.10920626721374728,v0,hcp,44.50192375640475 +4,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,162.0,1.0,0.13268059758798145,-0.13268059758798145,v0,hcp,44.49146580706317 +5,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,243.0,1.0,0.035123033517122385,-0.035123033517122385,v0,hcp,44.534928263571 +6,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,363.0,1.0,0.00325822528930418,0.00325822528930418,v0,hcp,44.552027335359796 +7,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,507.0,1.0,0.0074920415481713205,0.0074920415481713205,v0,hcp,44.55391352488048 +8,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,900.0,1.0,0.0066379298727882044,-0.0066379298727882044,v0,hcp,44.54761854125528 +9,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,1156.0,1.0,0.007348783178294677,0.007348783178294677,v0,hcp,44.55384970245185 +10,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,1300.0,1.0,0.0075069328629822065,-0.0075069328629822065,v0,hcp,44.54723139541964 +11,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,1624.0,1.0,0.0009914208741567266,0.0009914208741567266,v0,hcp,44.551017460941104 +12,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,2425.0,1.0,0.0024714836866283948,-0.0024714836866283948,v0,hcp,44.549474717020665 +13,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,2909.0,1.0,0.0006881113601941765,-0.0006881113601941765,v0,hcp,44.550269219660336 +14,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,4062.0,1.0,0.0009461088616623086,0.0009461088616623086,v0,hcp,44.55099727417865 +15,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,4738.0,1.0,0.002495714717266605,-0.002495714717266605,v0,hcp,44.549463921957 +16,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,6307.0,1.0,0.0019291147569381237,-0.0019291147569381237,v0,hcp,44.54971634550168 +17,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,7207.0,1.0,0.002726726717490244,0.002726726717490244,v0,hcp,44.55179054968581 +18,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,9256.0,1.0,0.002036480274194455,-0.002036480274194455,v0,hcp,44.54966851354556 +19,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,11637.0,1.0,0.0005211288290204461,-0.0005211288290204461,v0,hcp,44.55034361133943 +20,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,14449.0,1.0,0.0006784574029366195,-0.0006784574029366195,v0,hcp,44.550273520553894 +21,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,17650.0,1.0,0.0007848578680512371,-0.0007848578680512371,v0,hcp,44.55022611853405 +22,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,23287.0,1.0,3.420396974110729e-06,-3.420396974110729e-06,v0,hcp,44.55057425342675 +23,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,27612.0,1.0,0.0010145323203775477,-0.0010145323203775477,v0,hcp,44.55012379724312 +24,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,35113.0,1.0,0.0005494397248965402,-0.0005494397248965402,v0,hcp,44.550330998672315 +25,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,43862.0,1.0,0.00018600262063611647,0.00018600262063611647,v0,hcp,44.55065864247175 +26,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,53955.0,1.0,0.0002219840720535497,-0.0002219840720535497,v0,hcp,44.55047688205106 +27,TetraBloechl,allKp_without_spin,VASP,Hf,PBE,44.5505757772333,4.25338003921545e-05,69712.0,1.0,0.0001527206819605924,-0.0001527206819605924,v0,hcp,44.550507739290154 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,4.0,1.0,54.91337922831135,-54.91337922831135,B,hcp,3.452053286548247 +1,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,16.0,1.0,27.075056518780126,-27.075056518780126,B,hcp,5.583492098253824 +2,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,36.0,1.0,27.932710621071628,-27.932710621071628,B,hcp,5.517825884821477 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,72.0,1.0,1.962597315272868,-1.962597315272868,B,hcp,7.506225402347688 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,128.0,1.0,2.690268354280469,-2.690268354280469,B,hcp,7.450511331105747 +5,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,162.0,1.0,3.306154262172872,-3.306154262172872,B,hcp,7.403356078924736 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,243.0,1.0,0.7536463451910861,0.7536463451910861,B,hcp,7.714194367301884 +7,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,363.0,1.0,0.5385388718801021,0.5385388718801021,B,hcp,7.697724681894223 +8,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,507.0,1.0,0.4903043444438194,0.4903043444438194,B,hcp,7.694031609401504 +9,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,900.0,1.0,0.8046696895804286,0.8046696895804286,B,hcp,7.718100965327534 +10,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,1156.0,1.0,0.8521863002518719,0.8521863002518719,B,hcp,7.721739070584182 +11,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,1300.0,1.0,0.4973975422955352,0.4973975422955352,B,hcp,7.694574699492024 +12,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,1624.0,1.0,0.4946565585470069,0.4946565585470069,B,hcp,7.694364836304331 +13,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,2425.0,1.0,0.3361825300885603,0.3361825300885603,B,hcp,7.682231285787367 +14,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,2909.0,1.0,0.317352574442401,0.317352574442401,B,hcp,7.680789571834061 +15,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,4062.0,1.0,0.16652158846377513,0.16652158846377513,B,hcp,7.6692412102148255 +16,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,4738.0,1.0,0.18777374537583988,0.18777374537583988,B,hcp,7.67086837980214 +17,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,6307.0,1.0,0.12027877937053155,0.12027877937053155,B,hcp,7.665700633467725 +18,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.65649149895018,0.00116412983375398,7207.0,1.0,0.1048512389612168,0.1048512389612168,B,hcp,7.664519425147788 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,4.0,1.0,35.82442029763537,-35.82442029763537,E0,hcp,-0.2427681739590221 +1,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,16.0,1.0,19.577188617197034,-19.577188617197034,E0,hcp,-0.30422941490522354 +2,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,36.0,1.0,17.80615746713225,-17.80615746713225,E0,hcp,-0.3109290037569302 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,72.0,1.0,2.8994429152138306,-2.8994429152138306,E0,hcp,-0.36731923643237063 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,128.0,1.0,2.3603156372949217,-2.3603156372949217,E0,hcp,-0.36935868734810656 +5,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,162.0,1.0,2.258277867995061,-2.258277867995061,E0,hcp,-0.36974468343949624 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,243.0,1.0,0.5080193842772436,-0.5080193842772436,E0,hcp,-0.3763656918981516 +7,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,363.0,1.0,0.4911383928640219,-0.4911383928640219,E0,hcp,-0.37642955057272853 +8,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,507.0,1.0,0.4886709912367402,-0.4886709912367402,E0,hcp,-0.37643888444380946 +9,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,900.0,1.0,0.12827750689918938,-0.12827750689918938,E0,hcp,-0.3778022078217225 +10,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,1156.0,1.0,0.12678784548948951,-0.12678784548948951,E0,hcp,-0.3778078430241145 +11,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,1300.0,1.0,0.0699335427115234,-0.0699335427115234,E0,hcp,-0.37802291572515023 +12,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,1624.0,1.0,0.06961214662766263,-0.06961214662766263,E0,hcp,-0.3780241315262503 +13,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,2425.0,1.0,0.03027712771857942,-0.03027712771857942,E0,hcp,-0.3781729309723556 +14,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,2909.0,1.0,0.03032302709790789,-0.03032302709790789,E0,hcp,-0.3781727573407568 +15,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,4062.0,1.0,0.019047675890582167,-0.019047675890582167,E0,hcp,-0.3782154105810711 +16,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,4738.0,1.0,0.01893576731533072,-0.01893576731533072,E0,hcp,-0.3782158339171841 +17,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,6307.0,1.0,0.015453597618509082,-0.015453597618509082,E0,hcp,-0.3782290065286764 +18,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.378287465551444,1.1302351190239805e-05,7207.0,1.0,0.01551156624806029,-0.01551156624806029,E0,hcp,-0.3782287872406169 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,4.0,1.0,23.528237041735274,-23.528237041735274,dB,hcp,5.917284049063316 +1,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,16.0,1.0,3.892177716638733,3.892177716638733,dB,hcp,8.039039538824666 +2,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,36.0,1.0,3.15040815738433,3.15040815738433,dB,hcp,7.9816423897168 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,72.0,1.0,7.964342580495657,-7.964342580495657,dB,hcp,7.121597652857966 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,128.0,1.0,1.242507015788881,1.242507015788881,dB,hcp,7.834011518456335 +5,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,162.0,1.0,2.156862198361594,-2.156862198361594,dB,hcp,7.57097281698495 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,243.0,1.0,1.4980616088870014,-1.4980616088870014,dB,hcp,7.621949936758415 +7,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,363.0,1.0,0.11781903561653215,-0.11781903561653215,dB,hcp,7.728751284690055 +8,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,507.0,1.0,0.3074748891407957,-0.3074748891407957,dB,hcp,7.714075965154357 +9,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,900.0,1.0,0.9585515538743968,0.9585515538743968,dB,hcp,7.812039419730848 +10,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,1156.0,1.0,0.6769625701322592,0.6769625701322592,dB,hcp,7.790250435961785 +11,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,1300.0,1.0,0.09652572349769577,-0.09652572349769577,dB,hcp,7.730398933067421 +12,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,1624.0,1.0,0.6768304592418344,-0.6768304592418344,dB,hcp,7.685495718814483 +13,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,2425.0,1.0,0.1049415836974022,-0.1049415836974022,dB,hcp,7.7297477249169555 +14,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,2909.0,1.0,0.19663870819282536,-0.19663870819282536,dB,hcp,7.722652322494784 +15,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,4062.0,1.0,0.1091812909327279,0.1091812909327279,dB,hcp,7.746316270241063 +16,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,4738.0,1.0,0.0914376699174636,0.0914376699174636,dB,hcp,7.744943292274496 +17,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,6307.0,1.0,0.09493713871762888,-0.09493713871762888,dB,hcp,7.730521855660232 +18,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,7.737867966105,0.00465084708848821,7207.0,1.0,0.0011081559654378367,0.0011081559654378367,dB,hcp,7.737953713750464 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,4.0,1.0,36.931041306261065,36.931041306261065,v0,hcp,86.70732100124185 +1,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,16.0,1.0,10.864991351759453,10.864991351759453,v0,hcp,70.2018059691581 +2,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,36.0,1.0,10.030037371279166,10.030037371279166,v0,hcp,69.6730973424206 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,72.0,1.0,2.1912733142190333,2.1912733142190333,v0,hcp,64.70944392340996 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,128.0,1.0,1.6452206582655986,1.6452206582655986,v0,hcp,64.3636730706386 +5,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,162.0,1.0,1.51285709019965,1.51285709019965,v0,hcp,64.27985795993996 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,243.0,1.0,0.5136577473208157,0.5136577473208157,v0,hcp,63.6471460683138 +7,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,363.0,1.0,0.5036235593893506,0.5036235593893506,v0,hcp,63.64079223104169 +8,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,63.3218882833963,0.00161717737050877,507.0,1.0,0.4926563062099716,0.4926563062099716,v0,hcp,63.633847559235676 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+13,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.20949504643842,7.0795189669003496e-06,64000.0,1.0,0.002351850139695656,0.002351850139695656,E0,bcc,-8.209688121459138 +14,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.20949504643842,7.0795189669003496e-06,74088.0,1.0,0.0014166680739465256,0.0014166680739465256,E0,bcc,-8.209611347733777 +15,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.20949504643842,7.0795189669003496e-06,85184.0,1.0,0.0009276555479798533,0.0009276555479798533,E0,bcc,-8.20957120227468 +16,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.20949504643842,7.0795189669003496e-06,97336.0,1.0,0.0016363649164186998,0.0016363649164186998,E0,bcc,-8.209629383735175 +17,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.20949504643842,7.0795189669003496e-06,110592.0,1.0,0.0008867610214923561,0.0008867610214923561,E0,bcc,-8.209567845040553 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+22,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,345.427320052105,0.00529149498780665,23287.0,1.0,0.010292033364772465,-0.010292033364772465,B,hcp,345.3917685570743 +23,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,345.427320052105,0.00529149498780665,27612.0,1.0,0.02206396012342391,-0.02206396012342391,B,hcp,345.3511051059532 +24,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,345.427320052105,0.00529149498780665,35113.0,1.0,0.008373081643669424,-0.008373081643669424,B,hcp,345.39839714057746 +25,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,345.427320052105,0.00529149498780665,43862.0,1.0,0.002997253830123211,0.002997253830123211,B,hcp,345.4376733856856 +26,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,345.427320052105,0.00529149498780665,53955.0,1.0,0.0032853193191102145,0.0032853193191102145,B,hcp,345.4386684425842 +27,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,345.427320052105,0.00529149498780665,69712.0,1.0,0.003007019480990229,-0.003007019480990229,B,hcp,345.4169329852984 +28,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,345.427320052105,0.00529149498780665,83317.0,1.0,0.0015377425450897766,-0.0015377425450897766,B,hcp,345.42200826924216 +0,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,4.0,1.0,17.850650866856608,-17.850650866856608,E0,hcp,-14.417593145309866 +1,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,16.0,1.0,1.9972985603335365,1.9972985603335365,E0,hcp,-17.901000654067126 +2,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,36.0,1.0,0.31405746553324226,-0.31405746553324226,E0,hcp,-17.49534691308742 +3,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,72.0,1.0,0.09057854144280604,-0.09057854144280604,E0,hcp,-17.534568504470514 +4,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,128.0,1.0,0.09309683729664933,-0.09309683729664933,E0,hcp,-17.534126531826505 +5,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,162.0,1.0,0.17426691965237767,0.17426691965237767,E0,hcp,-17.58105011564267 +6,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,243.0,1.0,0.03897860996957216,0.03897860996957216,E0,hcp,-17.557306387580233 +7,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,363.0,1.0,0.10394359083311648,-0.10394359083311648,E0,hcp,-17.532222876093545 +8,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,900.0,1.0,0.012454470987171779,0.012454470987171779,E0,hcp,-17.55265127772954 +9,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,1156.0,1.0,0.01199320059289453,-0.01199320059289453,E0,hcp,-17.548360597573083 +10,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,1300.0,1.0,0.0043643889755977825,-0.0043643889755977825,E0,hcp,-17.549699489520993 +11,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,1624.0,1.0,0.01208601473416278,-0.01208601473416278,E0,hcp,-17.548344308259278 +12,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,2425.0,1.0,0.004879448642930386,-0.004879448642930386,E0,hcp,-17.549609094151982 +13,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,2909.0,1.0,9.433071787464844e-05,9.433071787464844e-05,E0,hcp,-17.55048201558076 +14,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,4062.0,1.0,0.003830683520371536,-0.003830683520371536,E0,hcp,-17.54979315731257 +15,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,4738.0,1.0,0.005627537596884143,-0.005627537596884143,E0,hcp,-17.549477801058508 +16,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,6307.0,1.0,0.0006906269083904348,-0.0006906269083904348,E0,hcp,-17.550344251863685 +17,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,7207.0,1.0,0.0009593948034259688,0.0009593948034259688,E0,hcp,-17.5506338383543 +18,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,9256.0,1.0,0.0006924130531458184,-0.0006924130531458184,E0,hcp,-17.550343938386966 +19,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,11637.0,1.0,0.0017549077744020483,-0.0017549077744020483,E0,hcp,-17.550157465617897 +20,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,14449.0,1.0,0.0010570126423107742,-0.0010570126423107742,E0,hcp,-17.550279949462002 +21,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,17650.0,1.0,0.0009369564327044315,-0.0009369564327044315,E0,hcp,-17.5503010198856 +22,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,23287.0,1.0,9.367760263362221e-05,-9.367760263362221e-05,E0,hcp,-17.550449019245406 +23,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,27612.0,1.0,0.0006536887377939884,-0.0006536887377939884,E0,hcp,-17.550350734684557 +24,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,35113.0,1.0,0.0003551011873251114,-0.0003551011873251114,E0,hcp,-17.55040313818947 +25,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,43862.0,1.0,0.00014420624592445175,-0.00014420624592445175,E0,hcp,-17.550440151233314 +26,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,53955.0,1.0,0.0001192063713118934,-0.0001192063713118934,E0,hcp,-17.550444538827676 +27,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,69712.0,1.0,0.0003046523862719596,-0.0003046523862719596,E0,hcp,-17.550411992188877 +28,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-17.5504654601007,9.44416169547092e-06,83317.0,1.0,8.470166890975795e-05,-8.470166890975795e-05,E0,hcp,-17.550450594563557 +0,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,4.0,1.0,6.834480036108072,6.834480036108072,dB,hcp,5.511789979591141 +1,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,16.0,1.0,0.7157241805300565,-0.7157241805300565,dB,hcp,5.122260869409974 +2,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,36.0,1.0,0.7059820344997852,-0.7059820344997852,dB,hcp,5.122763484884409 +3,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,72.0,1.0,0.4337987086747649,-0.4337987086747649,dB,hcp,5.136805930051803 +4,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,128.0,1.0,0.4902930469791375,-0.4902930469791375,dB,hcp,5.133891281825272 +5,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,162.0,1.0,0.21466023606921533,-0.21466023606921533,dB,hcp,5.148111692358523 +6,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,243.0,1.0,0.0093938992302533,0.0093938992302533,dB,hcp,5.159671062867109 +7,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,363.0,1.0,0.397738025080954,0.397738025080954,dB,hcp,5.179706460247932 +8,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,900.0,1.0,0.8193721140935201,0.8193721140935201,dB,hcp,5.201459348885457 +9,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,1156.0,1.0,1.0440951291826477,-1.0440951291826477,dB,hcp,5.105319600039257 +10,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,1300.0,1.0,2.2984487950590378,2.2984487950590378,dB,hcp,5.277767672063868 +11,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,1624.0,1.0,0.6220692225871047,0.6220692225871047,dB,hcp,5.191280124912244 +12,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,2425.0,1.0,0.04982741917557615,-0.04982741917557615,dB,hcp,5.156615724653668 +13,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,2909.0,1.0,0.05538586896817794,0.05538586896817794,dB,hcp,5.1620438743214025 +14,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,4062.0,1.0,0.007079320040778945,-0.007079320040778945,dB,hcp,5.158821178776513 +15,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,4738.0,1.0,0.02411201671408468,0.02411201671408468,dB,hcp,5.1604303979847455 +16,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,6307.0,1.0,0.3407599487588067,-0.3407599487588067,dB,hcp,5.141605973113228 +17,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,7207.0,1.0,0.2352132992020761,-0.2352132992020761,dB,hcp,5.147051321517692 +18,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,9256.0,1.0,0.006768594672173867,0.006768594672173867,dB,hcp,5.15953561851102 +19,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,11637.0,1.0,0.035972292445761084,-0.035972292445761084,dB,hcp,5.157330536469568 +20,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,14449.0,1.0,0.044709930471125175,-0.044709930471125175,dB,hcp,5.156879745435652 +21,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,17650.0,1.0,0.05783733335102514,0.05783733335102514,dB,hcp,5.162170349938789 +22,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,23287.0,1.0,0.011691472908736004,-0.011691472908736004,dB,hcp,5.158583229212353 +23,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,27612.0,1.0,0.04283038846707387,-0.04283038846707387,dB,hcp,5.156976714511371 +24,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,35113.0,1.0,0.06966667988733011,0.06966667988733011,dB,hcp,5.162780647978166 +25,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,43862.0,1.0,0.037455171955728256,-0.037455171955728256,dB,hcp,5.157254031951353 +26,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.159186414094268,0.000643422145013316,53955.0,1.0,0.01011045660729352,-0.01011045660729352,dB,hcp,5.158664796790582 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+26,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,166375.0,1.0,0.00015227352390906646,0.00015227352390906646,E0,fcc,-8.897076141933345 +27,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,185193.0,1.0,1.8235078177302316e-05,-1.8235078177302316e-05,E0,fcc,-8.89706097167629 +28,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,205379.0,1.0,1.1859919490739485e-05,-1.1859919490739485e-05,E0,fcc,-8.897061538878146 +29,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,226981.0,1.0,2.704467329949638e-05,2.704467329949638e-05,E0,fcc,-8.89706500024412 +30,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,250047.0,1.0,6.031971882643822e-05,-6.031971882643822e-05,E0,fcc,-8.897057227379468 +31,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,274625.0,1.0,3.98572682430827e-05,3.98572682430827e-05,E0,fcc,-8.897066140188713 +32,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,300763.0,1.0,1.1702961209524555e-05,-1.1702961209524555e-05,E0,fcc,-8.897061552842825 +33,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,328509.0,1.0,1.3047510802598235e-05,-1.3047510802598235e-05,E0,fcc,-8.897061433217404 +34,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-8.897062594062609,2.4761022831616004e-07,357911.0,1.0,6.215581450459913e-06,6.215581450459913e-06,E0,fcc,-8.897063147066781 +0,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.47569259119452,0.000605465435881315,27.0,1.0,4.125505062120978,4.125505062120978,dB,fcc,4.660337515609223 +1,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.47569259119452,0.000605465435881315,125.0,1.0,1.0336479617663208,-1.0336479617663208,dB,fcc,4.429429685950711 +2,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.47569259119452,0.000605465435881315,343.0,1.0,8.871877726218425,-8.871877726218425,dB,fcc,4.078614617102325 +3,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.47569259119452,0.000605465435881315,729.0,1.0,0.4412286207126597,-0.4412286207126597,dB,fcc,4.455944554507052 +4,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.47569259119452,0.000605465435881315,1331.0,1.0,0.1417645268307187,-0.1417645268307187,dB,fcc,4.469347646770215 +5,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.47569259119452,0.000605465435881315,2197.0,1.0,0.9672855623107436,0.9672855623107436,dB,fcc,4.518985319442556 +6,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.47569259119452,0.000605465435881315,3375.0,1.0,1.2769426838437967,-1.2769426838437967,dB,fcc,4.418540562099921 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+28,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,10.676994123435499,1.94220415232401e-06,205379.0,1.0,4.765853183080964e-05,4.765853183080964e-05,v0,fcc,10.676999211934142 +29,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,10.676994123435499,1.94220415232401e-06,226981.0,1.0,0.000681920430461998,-0.000681920430461998,v0,fcc,10.676921314831212 +30,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,10.676994123435499,1.94220415232401e-06,250047.0,1.0,0.0004068625339294053,0.0004068625339294053,v0,fcc,10.677037564124337 +31,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,10.676994123435499,1.94220415232401e-06,274625.0,1.0,0.00011000895516072576,-0.00011000895516072576,v0,fcc,10.67698237778582 +32,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,10.676994123435499,1.94220415232401e-06,300763.0,1.0,7.853446412993464e-05,-7.853446412993464e-05,v0,fcc,10.67698573831538 +33,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,10.676994123435499,1.94220415232401e-06,328509.0,1.0,2.852044529827983e-05,-2.852044529827983e-05,v0,fcc,10.67699107830923 +34,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,10.676994123435499,1.94220415232401e-06,357911.0,1.0,3.422365572547396e-05,3.422365572547396e-05,v0,fcc,10.676997777493208 +0,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,4.0,1.0,1.9959573659590564,-1.9959573659590564,B,hcp,277.0612858199336 +1,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,16.0,1.0,1.2924513510099669,-1.2924513510099669,B,hcp,279.05012501314604 +2,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,36.0,1.0,0.6710330178204214,-0.6710330178204214,B,hcp,280.80689909917515 +3,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,72.0,1.0,0.1302623960841444,0.1302623960841444,B,hcp,283.07219277208026 +4,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,128.0,1.0,0.30977970121339465,-0.30977970121339465,B,hcp,281.828176443617 +5,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,162.0,1.0,0.057402361075969535,-0.057402361075969535,B,hcp,282.5416571173826 +6,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,243.0,1.0,0.09907406162390718,0.09907406162390718,B,hcp,282.9840221230346 +7,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,363.0,1.0,0.0706231522069688,-0.0706231522069688,B,hcp,282.5042814205046 +8,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,507.0,1.0,0.07872691244284936,-0.07872691244284936,B,hcp,282.48137177136573 +9,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,900.0,1.0,0.03755175960164592,0.03755175960164592,B,hcp,282.81009615379133 +10,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,1156.0,1.0,0.04594022996355685,-0.04594022996355685,B,hcp,282.5740610131698 +11,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,1624.0,1.0,0.01190373803539629,0.01190373803539629,B,hcp,282.7375881873556 +12,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,2425.0,1.0,0.018359074262988283,0.018359074262988283,B,hcp,282.7558376769434 +13,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,2909.0,1.0,0.0001853288544712396,-0.0001853288544712396,B,hcp,282.70341191945016 +14,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,4062.0,1.0,0.014195933642722572,-0.014195933642722572,B,hcp,282.6638033882772 +15,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,4738.0,1.0,0.02362900298953573,-0.02362900298953573,B,hcp,282.6371357299621 +16,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,6307.0,1.0,0.0007499969634254059,0.0007499969634254059,B,hcp,282.7060561223504 +17,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,9256.0,1.0,0.009049057310821085,-0.009049057310821085,B,hcp,282.6783538102409 +18,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,11637.0,1.0,0.017500682461197698,-0.017500682461197698,B,hcp,282.6544607332974 +19,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,23287.0,1.0,0.02383730600101918,-0.02383730600101918,B,hcp,282.6365468491502 +20,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,35113.0,1.0,0.02418800155478567,-0.02418800155478567,B,hcp,282.6355554190168 +21,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,43862.0,1.0,0.014417817045852906,-0.014417817045852906,B,hcp,282.6631761151636 +22,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,53955.0,1.0,0.0030464674920115662,-0.0030464674920115662,B,hcp,282.69532336791167 +23,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,282.703935851416,0.00795842281652585,69712.0,1.0,0.004089021245196257,-0.004089021245196257,B,hcp,282.69237602741805 +0,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,4.0,1.0,0.9520686322036508,0.9520686322036508,E0,hcp,-18.025624651732105 +1,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,16.0,1.0,0.0615007951951088,-0.0615007951951088,E0,hcp,-17.844645477116824 +2,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,36.0,1.0,0.3695232052092114,-0.3695232052092114,E0,hcp,-17.789646145033153 +3,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,72.0,1.0,0.02615020723843269,0.02615020723843269,E0,hcp,-17.860296113023765 +4,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,128.0,1.0,0.056966709214326325,-0.056966709214326325,E0,hcp,-17.845455066589686 +5,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,162.0,1.0,0.03626103659005032,-0.03626103659005032,E0,hcp,-17.849152194226036 +6,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,243.0,1.0,0.05426998088171089,-0.05426998088171089,E0,hcp,-17.845936584337363 +7,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,363.0,1.0,0.027655265714374155,-0.027655265714374155,E0,hcp,-17.850688808559404 +8,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,507.0,1.0,0.025068465647145904,-0.025068465647145904,E0,hcp,-17.851150697926236 +9,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,900.0,1.0,0.0019731510159124253,-0.0019731510159124253,E0,hcp,-17.855274511121916 +10,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,1156.0,1.0,0.00921260606435272,-0.00921260606435272,E0,hcp,-17.85398186104397 +11,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,1624.0,1.0,0.007663418740123334,0.007663418740123334,E0,hcp,-17.856995181056725 +12,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,2425.0,1.0,0.003855368684101654,0.003855368684101654,E0,hcp,-17.856315229849237 +13,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,2909.0,1.0,0.0017117865353890199,0.0017117865353890199,E0,hcp,-17.85593247981998 +14,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,4062.0,1.0,1.650251100503813e-05,1.650251100503813e-05,E0,hcp,-17.855629776230884 +15,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,4738.0,1.0,0.0006293919239131312,0.0006293919239131312,E0,hcp,-17.85573921147733 +16,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,6307.0,1.0,0.0007226851959755147,0.0007226851959755147,E0,hcp,-17.855755869575848 +17,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,9256.0,1.0,0.000294985244076527,-0.000294985244076527,E0,hcp,-17.855574158139714 +18,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,11637.0,1.0,0.00047936921607540187,-0.00047936921607540187,E0,hcp,-17.855541235225747 +19,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,23287.0,1.0,5.660018071056808e-05,5.660018071056808e-05,E0,hcp,-17.855636935921158 +20,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,35113.0,1.0,0.00011814995048622043,-0.00011814995048622043,E0,hcp,-17.855605733189844 +21,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,43862.0,1.0,6.856547897939237e-05,-6.856547897939237e-05,E0,hcp,-17.85561458680804 +22,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,53955.0,1.0,3.1746608389573106e-05,3.1746608389573106e-05,E0,hcp,-17.855632498160027 +23,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,-17.855626829604102,5.42500515701815e-06,69712.0,1.0,1.3138643768839352e-05,-1.3138643768839352e-05,E0,hcp,-17.855624483616896 +0,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,4.0,1.0,3.368346081847867,-3.368346081847867,dB,hcp,4.3102910898513915 +1,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,16.0,1.0,1.7209365538987118,1.7209365538987118,dB,hcp,4.537300446611176 +2,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,36.0,1.0,0.09144133589363264,-0.09144133589363264,dB,hcp,4.45645865250888 +3,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,72.0,1.0,0.7834200936288073,0.7834200936288073,dB,hcp,4.49548217401167 +4,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,128.0,1.0,0.2899356993885694,-0.2899356993885694,dB,hcp,4.447604737133669 +5,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,162.0,1.0,0.1504005575521025,0.1504005575521025,dB,hcp,4.467246100681451 +6,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,243.0,1.0,0.0023536251763278827,-0.0023536251763278827,dB,hcp,4.460432443188745 +7,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,363.0,1.0,0.42563825236792463,-0.42563825236792463,dB,hcp,4.441551673967924 +8,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,507.0,1.0,1.7412665939128744,-1.7412665939128744,dB,hcp,4.382867579386241 +9,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,900.0,1.0,0.4297534935681434,-0.4297534935681434,dB,hcp,4.441368112093955 +10,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,1156.0,1.0,0.04968812065645725,-0.04968812065645725,dB,hcp,4.458321070301727 +11,TetraBloechl,allKp_without_spin,VASP,Mn,PBE,4.46053742752064,0.0017693884790438105,1624.0,1.0,0.07649388073007052,0.07649388073007052,dB,hcp,4.463949465700368 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+17,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.3575866703976915,1.22732582149334e-06,64000.0,1.0,0.00025975340645134696,-0.00025975340645134696,E0,bcc,-5.3575727538838125 +18,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.3575866703976915,1.22732582149334e-06,74088.0,1.0,0.00026942316584864257,-0.00026942316584864257,E0,bcc,-5.357572235818073 +19,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.3575866703976915,1.22732582149334e-06,85184.0,1.0,0.0001788394882696359,0.0001788394882696359,E0,bcc,-5.3575962518782765 +20,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.3575866703976915,1.22732582149334e-06,97336.0,1.0,0.00010149740437104504,0.00010149740437104504,E0,bcc,-5.3575921082091 +21,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.3575866703976915,1.22732582149334e-06,110592.0,1.0,1.7316416576874844e-05,1.7316416576874844e-05,E0,bcc,-5.35758759813972 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+31,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.1723301237194805,3.5222286030123796e-07,287496.0,1.0,2.2456869515127648e-05,2.2456869515127648e-05,E0,bcc,-5.172331285262907 +32,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.1723301237194805,3.5222286030123796e-07,314432.0,1.0,6.749102325624087e-06,6.749102325624087e-06,E0,bcc,-5.172330472805333 +33,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.1723301237194805,3.5222286030123796e-07,343000.0,1.0,3.579797786435878e-06,3.579797786435878e-06,E0,bcc,-5.17233030887844 +0,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.4865547422128,0.00026332499547612097,64.0,1.0,5.633484576669624,5.633484576669624,dB,bcc,5.7956389574058935 +1,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.4865547422128,0.00026332499547612097,216.0,1.0,0.5573271419543735,-0.5573271419543735,dB,bcc,5.455976683476263 +2,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.4865547422128,0.00026332499547612097,512.0,1.0,0.3055684029244177,0.3055684029244177,dB,bcc,5.503319919914153 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+9,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,166.127264414546,0.00376532825340366,1624.0,1.0,0.03342647093092292,-0.03342647093092292,B,hcp,166.0717339327981 +10,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,166.127264414546,0.00376532825340366,2425.0,1.0,0.10806629914422458,-0.10806629914422458,B,hcp,165.94773682802366 +11,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,166.127264414546,0.00376532825340366,2909.0,1.0,0.07632147643786262,0.07632147643786262,B,hcp,166.25405519551305 +12,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,166.127264414546,0.00376532825340366,4062.0,1.0,0.17648228837977134,0.17648228837977134,B,hcp,166.42044961240754 +13,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,166.127264414546,0.00376532825340366,4738.0,1.0,0.023575113012375217,-0.023575113012375217,B,hcp,166.0880997242159 +14,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,166.127264414546,0.00376532825340366,6307.0,1.0,0.015630561007020045,-0.015630561007020045,B,hcp,166.10129779113242 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+16,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,54872.0,1.0,0.00016500983431293529,-0.00016500983431293529,E0,bcc,-6.000446786849551 +17,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,64000.0,1.0,0.0007039928521466362,-0.0007039928521466362,E0,bcc,-6.000414445407009 +18,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,74088.0,1.0,0.00015738867077408466,-0.00015738867077408466,E0,bcc,-6.000447244154168 +19,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,85184.0,1.0,0.00012975746751614435,0.00012975746751614435,E0,bcc,-6.000464474233828 +20,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,97336.0,1.0,0.00019744320568533216,0.00019744320568533216,E0,bcc,-6.000468535687231 +21,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,110592.0,1.0,0.00012260676730406722,-0.00012260676730406722,E0,bcc,-6.0004493312272205 +22,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,125000.0,1.0,0.00014064613588427938,-0.00014064613588427938,E0,bcc,-6.000448248782722 +23,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,140608.0,1.0,0.00010564191719783224,0.00010564191719783224,E0,bcc,-6.000463027190676 +24,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,157464.0,1.0,0.00010018031286993892,0.00010018031286993892,E0,bcc,-6.000462699469473 +25,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,175616.0,1.0,0.00016143280057080703,-0.00016143280057080703,E0,bcc,-6.000447001487912 +26,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,195112.0,1.0,0.00011647418409000416,-0.00011647418409000416,E0,bcc,-6.000449699210222 +27,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,216000.0,1.0,3.702446822708196e-05,-3.702446822708196e-05,E0,bcc,-6.000454466556009 +28,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,238328.0,1.0,4.543364363146545e-05,-4.543364363146545e-05,E0,bcc,-6.000453961967081 +29,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,262144.0,1.0,0.00010821060532205163,-0.00010821060532205163,E0,bcc,-6.000450195062686 +30,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,287496.0,1.0,7.147191776162862e-05,-7.147191776162862e-05,E0,bcc,-6.000452399551721 +31,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,314432.0,1.0,2.372090711422483e-05,2.372090711422483e-05,E0,bcc,-6.000458111555948 +32,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-6.00045668819319,2.1163530095389703e-06,343000.0,1.0,1.0258391216062642e-06,-1.0258391216062642e-06,E0,bcc,-6.000456626638157 +0,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,216.0,1.0,2.0603301017494497,2.0603301017494497,dB,bcc,5.563944265558257 +1,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,512.0,1.0,0.9709390790905632,0.9709390790905632,dB,bcc,5.504554775759129 +2,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,1000.0,1.0,0.8097281769329494,0.8097281769329494,dB,bcc,5.495766165397874 +3,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,1728.0,1.0,0.912293890682608,0.912293890682608,dB,bcc,5.501357661273807 +4,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,2744.0,1.0,0.6460710394481701,0.6460710394481701,dB,bcc,5.486844195512823 +5,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,4096.0,1.0,0.11602431220506232,0.11602431220506232,dB,bcc,5.457948047072169 +6,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,5832.0,1.0,0.3622255306017677,-0.3622255306017677,dB,bcc,5.431875669413423 +7,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,8000.0,1.0,0.14531113906529658,0.14531113906529658,dB,bcc,5.4595446544141515 +8,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,10648.0,1.0,0.13699043415831036,0.13699043415831036,dB,bcc,5.4590910409650615 +9,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,13824.0,1.0,0.579319297969084,0.579319297969084,dB,bcc,5.483205142328806 +10,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,17576.0,1.0,0.14243560455942,-0.14243560455942,dB,bcc,5.4438577872197405 +11,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,21952.0,1.0,0.1789926758236832,0.1789926758236832,dB,bcc,5.461380844764654 +12,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,27000.0,1.0,0.11263064484760285,0.11263064484760285,dB,bcc,5.4577630371274255 +13,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,32768.0,1.0,0.028603698355294492,0.028603698355294492,dB,bcc,5.4531822049213945 +14,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,39304.0,1.0,0.12170689866659125,0.12170689866659125,dB,bcc,5.4582578402535615 +15,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,46656.0,1.0,0.06653603252599757,0.06653603252599757,dB,bcc,5.4552501327144745 +16,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,54872.0,1.0,0.05159453983993067,0.05159453983993067,dB,bcc,5.454435578886688 +17,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,64000.0,1.0,0.05222858014019018,0.05222858014019018,dB,bcc,5.4544701443725065 +18,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,74088.0,1.0,0.08593321628309103,-0.08593321628309103,dB,bcc,5.446938084323689 +19,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,85184.0,1.0,0.18829419979966688,-0.18829419979966688,dB,bcc,5.441357749567901 +20,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,97336.0,1.0,0.2132450299135208,-0.2132450299135208,dB,bcc,5.439997524414852 +21,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,110592.0,1.0,0.2370347595997676,-0.2370347595997676,dB,bcc,5.438700598077901 +22,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,125000.0,1.0,0.053129826188036966,-0.053129826188036966,dB,bcc,5.448726401430132 +23,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,140608.0,1.0,0.10870366699097836,-0.10870366699097836,dB,bcc,5.445696725232316 +24,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,157464.0,1.0,0.04255347690117468,-0.04255347690117468,dB,bcc,5.449302984103404 +25,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,175616.0,1.0,0.05718652468144767,-0.05718652468144767,dB,bcc,5.4485052455285485 +26,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,195112.0,1.0,0.15089483592118125,0.15089483592118125,dB,bcc,5.459849056507215 +27,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,216000.0,1.0,0.010467911464186313,-0.010467911464186313,dB,bcc,5.451052168116845 +28,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,238328.0,1.0,0.08127766969683217,-0.08127766969683217,dB,bcc,5.447191887164673 +29,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,262144.0,1.0,0.07290144735000807,0.07290144735000807,dB,bcc,5.455597151122828 +30,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,287496.0,1.0,0.11376505621922592,-0.11376505621922592,dB,bcc,5.4454207973811695 +31,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,314432.0,1.0,0.06602048783678048,0.06602048783678048,dB,bcc,5.455222027162452 +32,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.45162283916901,0.00191071093469795,343000.0,1.0,0.053929544285139776,-0.053929544285139776,dB,bcc,5.448682803815702 +0,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,216.0,1.0,0.2132231185391032,-0.2132231185391032,v0,bcc,15.770837551882074 +1,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,512.0,1.0,0.2759033869143911,0.2759033869143911,v0,bcc,15.84814172885725 +2,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,1000.0,1.0,0.04023874936762351,0.04023874936762351,v0,bcc,15.810896025251768 +3,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,1728.0,1.0,0.03199335359900945,-0.03199335359900945,v0,bcc,15.799480076189992 +4,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,2744.0,1.0,0.0044399943077207465,-0.0044399943077207465,v0,bcc,15.803834756909941 +5,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,4096.0,1.0,0.008529390370515474,0.008529390370515474,v0,bcc,15.805884508042311 +6,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,5832.0,1.0,0.007124802261179844,-0.007124802261179844,v0,bcc,15.803410435457588 +7,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,8000.0,1.0,0.00777482558463911,-0.00777482558463911,v0,bcc,15.80330770228432 +8,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,10648.0,1.0,0.0032180580180176947,-0.0032180580180176947,v0,bcc,15.804027878276576 +9,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,13824.0,1.0,0.0002321431330036833,0.0002321431330036833,v0,bcc,15.804573166576034 +10,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,17576.0,1.0,0.0014441250874466954,-0.0014441250874466954,v0,bcc,15.804308240153675 +11,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,21952.0,1.0,0.002681505371798379,-0.002681505371798379,v0,bcc,15.804112677935274 +12,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,27000.0,1.0,0.0014195437093618454,-0.0014195437093618454,v0,bcc,15.804312125126538 +13,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,32768.0,1.0,0.0009094495169717985,-0.0009094495169717985,v0,bcc,15.804392743149247 +14,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,39304.0,1.0,0.0022244630938988274,-0.0022244630938988274,v0,bcc,15.804184911348797 +15,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,46656.0,1.0,0.0011874568914774695,-0.0011874568914774695,v0,bcc,15.804348805372332 +16,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,54872.0,1.0,1.4407937725372007e-05,1.4407937725372007e-05,v0,bcc,15.804538754537676 +17,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,64000.0,1.0,9.221636955432719e-06,9.221636955432719e-06,v0,bcc,15.804537934866874 +18,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,74088.0,1.0,0.00011844382731406829,0.00011844382731406829,v0,bcc,15.804555196927796 +19,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,85184.0,1.0,0.0004785086198352309,0.0004785086198352309,v0,bcc,15.80461210349927 +20,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,97336.0,1.0,0.00011107521784202769,0.00011107521784202769,v0,bcc,15.804554032353222 +21,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,110592.0,1.0,0.0002570026525567144,0.0002570026525567144,v0,bcc,15.804577095507872 +22,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,125000.0,1.0,0.0002020801965394512,-0.0002020801965394512,v0,bcc,15.804504539591525 +23,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,140608.0,1.0,0.0001694210233974871,-0.0001694210233974871,v0,bcc,15.804509701222456 +24,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,157464.0,1.0,0.00037401661031635785,-0.00037401661031635785,v0,bcc,15.804477365838293 +25,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,175616.0,1.0,0.0003704801937711107,-0.0003704801937711107,v0,bcc,15.804477924752536 +26,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,195112.0,1.0,0.0006374112749704316,-0.0006374112749704316,v0,bcc,15.804435737532435 +27,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,216000.0,1.0,6.194979885466875e-05,-6.194979885466875e-05,v0,bcc,15.804526686551347 +28,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,238328.0,1.0,5.224632192795156e-05,-5.224632192795156e-05,v0,bcc,15.804528220140893 +29,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,262144.0,1.0,0.0002497020928208624,-0.0002497020928208624,v0,bcc,15.804497013171554 +30,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,287496.0,1.0,0.00013656328760298502,0.00013656328760298502,v0,bcc,15.804558060624506 +31,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,314432.0,1.0,9.987225612568527e-05,-9.987225612568527e-05,v0,bcc,15.80452069308275 +32,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,15.8045364774299,1.24272693448135e-05,343000.0,1.0,6.238994385004657e-05,-6.238994385004657e-05,v0,bcc,15.804526616988467 +0,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,4.0,1.0,33.594722245122426,-33.594722245122426,B,hcp,162.33799357029258 +1,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,16.0,1.0,2.057549672267861,2.057549672267861,B,hcp,249.49549798817768 +2,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,36.0,1.0,3.3994487712144488,-3.3994487712144488,B,hcp,236.15501951745762 +3,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,72.0,1.0,1.5759375582423956,1.5759375582423956,B,hcp,248.31812253078343 +4,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,162.0,1.0,1.2838009801406125,1.2838009801406125,B,hcp,247.6039493876096 +5,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,243.0,1.0,0.2144685490972672,0.2144685490972672,B,hcp,244.9898005249844 +6,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,363.0,1.0,0.08881188553703477,-0.08881188553703477,B,hcp,244.24838449733983 +7,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,507.0,1.0,0.1802961395862739,-0.1802961395862739,B,hcp,244.0247370592484 +8,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,900.0,1.0,0.1982546458687485,0.1982546458687485,B,hcp,244.95016312556297 +9,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,1156.0,1.0,0.1520328389053249,0.1520328389053249,B,hcp,244.83716675456168 +10,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,1300.0,1.0,0.14520669421342486,0.14520669421342486,B,hcp,244.82047918588387 +11,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,1624.0,1.0,0.1091755339039795,0.1091755339039795,B,hcp,244.732395430068 +12,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,2425.0,1.0,0.1112239642452298,0.1112239642452298,B,hcp,244.7374031355217 +13,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,2909.0,1.0,0.025144982555994774,-0.025144982555994774,B,hcp,244.40402810935703 +14,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,4062.0,1.0,0.04276482779840128,0.04276482779840128,B,hcp,244.5700441660531 +15,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,4738.0,1.0,0.034691910122527016,0.034691910122527016,B,hcp,244.55030866757969 +16,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,6307.0,1.0,0.00655517446506965,-0.00655517446506965,B,hcp,244.44947377645408 +17,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,7207.0,1.0,0.014404930962448315,0.014404930962448315,B,hcp,244.50071400276093 +18,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,9256.0,1.0,0.035862858006080536,0.035862858006080536,B,hcp,244.55317123116524 +19,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,11637.0,1.0,0.013003628625837777,0.013003628625837777,B,hcp,244.4972883020124 +20,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,14449.0,1.0,0.020018752167129127,-0.020018752167129127,B,hcp,244.4165599740528 +21,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,17650.0,1.0,0.009109234424420028,-0.009109234424420028,B,hcp,244.44322998103183 +22,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,23287.0,1.0,0.03928949818202716,-0.03928949818202716,B,hcp,244.36944964866254 +23,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,27612.0,1.0,0.011102998679333571,0.011102998679333571,B,hcp,244.4926419175311 +24,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,35113.0,1.0,0.01497886406404865,-0.01497886406404865,B,hcp,244.42888076164883 +25,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,43862.0,1.0,0.0011692434191959374,0.0011692434191959374,B,hcp,244.4683573131733 +26,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,53955.0,1.0,0.004040706888656285,-0.004040706888656285,B,hcp,244.45562078215988 +27,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,69712.0,1.0,0.007211850451043441,0.007211850451043441,B,hcp,244.48312940260124 +28,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,244.465498916415,0.0074253037415536296,83317.0,1.0,0.0051780659349471465,-0.0051780659349471465,B,hcp,244.45284033169293 +0,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,4.0,1.0,17.475303801310474,-17.475303801310474,E0,hcp,-9.967946402527064 +1,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,16.0,1.0,3.415114094540081,3.415114094540081,E0,hcp,-12.491246402455294 +2,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,36.0,1.0,1.1970720514641535,-1.1970720514641535,E0,hcp,-11.934152266765787 +3,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,72.0,1.0,1.1786646238515126,1.1786646238515126,E0,hcp,-12.221111406718856 +4,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,162.0,1.0,0.2779192298856816,0.2779192298856816,E0,hcp,-12.112312680725884 +5,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,243.0,1.0,0.2712375035338689,0.2712375035338689,E0,hcp,-12.111505612136492 +6,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,363.0,1.0,0.02176688088130615,0.02176688088130615,E0,hcp,-12.081372695444275 +7,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,507.0,1.0,0.06306977050563642,-0.06306977050563642,E0,hcp,-12.071125493904034 +8,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,900.0,1.0,0.009121237997922416,0.009121237997922416,E0,hcp,-12.079845260672705 +9,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,1156.0,1.0,0.02714068446619852,0.02714068446619852,E0,hcp,-12.082021783397085 +10,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,1300.0,1.0,0.07201152534005363,0.07201152534005363,E0,hcp,-12.087441617185867 +11,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,1624.0,1.0,0.02928127750061057,0.02928127750061057,E0,hcp,-12.082280340139725 +12,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,2425.0,1.0,0.006229025378794681,0.006229025378794681,E0,hcp,-12.079495917728105 +13,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,2909.0,1.0,0.018258826712115126,0.018258826712115126,E0,hcp,-12.080948966578292 +14,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,4062.0,1.0,0.015313792730614591,0.015313792730614591,E0,hcp,-12.080593243476805 +15,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,4738.0,1.0,0.006750587964674425,0.006750587964674425,E0,hcp,-12.0795589159352 +16,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,6307.0,1.0,0.004508611086819454,0.004508611086819454,E0,hcp,-12.079288113298128 +17,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,7207.0,1.0,0.007336614683321455,0.007336614683321455,E0,hcp,-12.079629700599561 +18,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,9256.0,1.0,0.003580236805723561,0.003580236805723561,E0,hcp,-12.07917597734972 +19,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,11637.0,1.0,0.0019697786608744213,0.0019697786608744213,E0,hcp,-12.078981454240749 +20,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,14449.0,1.0,0.002368958884319933,0.002368958884319933,E0,hcp,-12.079029670196162 +21,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,17650.0,1.0,0.0009180994705599434,0.0009180994705599434,E0,hcp,-12.078854424608595 +22,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,23287.0,1.0,0.0010231582330886208,0.0010231582330886208,E0,hcp,-12.078867114387073 +23,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,27612.0,1.0,0.0008431434443709414,0.0008431434443709414,E0,hcp,-12.078845370862432 +24,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,35113.0,1.0,0.0005437513726100149,0.0005437513726100149,E0,hcp,-12.078809208061935 +25,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,43862.0,1.0,0.0006803596753864857,0.0006803596753864857,E0,hcp,-12.078825708628466 +26,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,53955.0,1.0,0.0005123440898149772,0.0005123440898149772,E0,hcp,-12.078805414456795 +27,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,69712.0,1.0,0.0005551067327038133,0.0005551067327038133,E0,hcp,-12.078810579646756 +28,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,-12.078743529728198,8.573643340307761e-06,83317.0,1.0,0.00029712914482372385,0.00029712914482372385,E0,hcp,-12.078779419195554 +0,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,4.0,1.0,5.319525077288471,-5.319525077288471,dB,hcp,5.192514283085393 +1,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,16.0,1.0,3.4909179476844896,3.4909179476844896,dB,hcp,5.675701036054545 +2,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,36.0,1.0,1.8684162577323664,-1.8684162577323664,dB,hcp,5.381781730810548 +3,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,72.0,1.0,0.9234978489165351,0.9234978489165351,dB,hcp,5.53489729014584 +4,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,162.0,1.0,3.146816419797987,3.146816419797987,dB,hcp,5.65682964678616 +5,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,243.0,1.0,0.9427257325320078,-0.9427257325320078,dB,hcp,5.432548916735032 +6,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,363.0,1.0,0.5425376660588197,-0.5425376660588197,dB,hcp,5.454496232195569 +7,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,507.0,1.0,0.3222554878073075,-0.3222554878073075,dB,hcp,5.466577058340706 +8,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,900.0,1.0,0.4443391887418105,-0.4443391887418105,dB,hcp,5.459881682537492 +9,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,1156.0,1.0,0.2419765537464188,-0.2419765537464188,dB,hcp,5.470979756067796 +10,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,1300.0,1.0,0.033896764921978295,0.033896764921978295,dB,hcp,5.486109339529192 +11,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,1624.0,1.0,0.02606739024708247,-0.02606739024708247,dB,hcp,5.482820755135814 +12,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,2425.0,1.0,0.2138919890757019,0.2138919890757019,dB,hcp,5.4959807282507676 +13,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,2909.0,1.0,0.6089724049524309,0.6089724049524309,dB,hcp,5.517647927365282 +14,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,4062.0,1.0,0.22499460749874525,-0.22499460749874525,dB,hcp,5.471911088515353 +15,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,4738.0,1.0,0.0008842818488265775,0.0008842818488265775,dB,hcp,5.4842988523087035 +16,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,6307.0,1.0,0.14417675971218188,-0.14417675971218188,dB,hcp,5.476343341620361 +17,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,7207.0,1.0,0.18759290935714945,-0.18759290935714945,dB,hcp,5.4739622912788635 +18,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,9256.0,1.0,0.10175960734564103,-0.10175960734564103,dB,hcp,5.478669604450063 +19,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,11637.0,1.0,0.0822253801144335,0.0822253801144335,dB,hcp,5.488759801779972 +20,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,14449.0,1.0,0.04304659180877346,-0.04304659180877346,dB,hcp,5.481889573213707 +21,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,17650.0,1.0,0.1513414353490234,-0.1513414353490234,dB,hcp,5.475950412871237 +22,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,23287.0,1.0,0.35277306241229844,-0.35277306241229844,dB,hcp,5.464903398146765 +23,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,27612.0,1.0,0.05663586758404977,-0.05663586758404977,dB,hcp,5.4811443033086125 +24,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,35113.0,1.0,0.12624796091968238,-0.12624796091968238,dB,hcp,5.47732660183198 +25,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,43862.0,1.0,0.03582865398303106,-0.03582865398303106,dB,hcp,5.482285422994617 +26,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,53955.0,1.0,0.1582147423544936,-0.1582147423544936,dB,hcp,5.475573463507315 +27,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,69712.0,1.0,0.16938385595385466,-0.16938385595385466,dB,hcp,5.474960921354971 +28,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,5.48425035607826,0.00232395488448186,83317.0,1.0,0.05232330718766304,0.05232330718766304,dB,hcp,5.48711989723901 +0,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,4.0,1.0,22.44374445347118,22.44374445347118,v0,hcp,38.51234664794401 +1,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,16.0,1.0,0.6958564462725184,-0.6958564462725184,v0,hcp,31.234226110845857 +2,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,36.0,1.0,1.3576106340678196,1.3576106340678196,v0,hcp,31.88010505207883 +3,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,72.0,1.0,0.6460945229232308,-0.6460945229232308,v0,hcp,31.24987777562016 +4,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,162.0,1.0,0.2065671231843062,-0.2065671231843062,v0,hcp,31.38812274399784 +5,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,243.0,1.0,0.153930898912021,-0.153930898912021,v0,hcp,31.40467846535757 +6,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,363.0,1.0,0.0220490835433511,-0.0220490835433511,v0,hcp,31.44615937736911 +7,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,507.0,1.0,0.03403745631536352,0.03403745631536352,v0,hcp,31.46380032975066 +8,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,900.0,1.0,0.01190504504134344,0.01190504504134344,v0,hcp,31.4568390015183 +9,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,1156.0,1.0,0.008212677591266034,-0.008212677591266034,v0,hcp,31.45051135520813 +10,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,1300.0,1.0,0.036325928027585816,-0.036325928027585816,v0,hcp,31.441668867982372 +11,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,1624.0,1.0,0.03465296986753068,-0.03465296986753068,v0,hcp,31.44219506509334 +12,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,2425.0,1.0,0.015442852875873209,-0.015442852875873209,v0,hcp,31.4482372413436 +13,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,2909.0,1.0,0.01429556435350941,-0.01429556435350941,v0,hcp,31.44859809908669 +14,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,4062.0,1.0,0.015267331549305556,-0.015267331549305556,v0,hcp,31.44829244823231 +15,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,4738.0,1.0,0.011536187490578687,-0.011536187490578687,v0,hcp,31.449466008498906 +16,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,6307.0,1.0,0.004344776272143738,-0.004344776272143738,v0,hcp,31.451727929865065 +17,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,7207.0,1.0,0.0074671968062201425,-0.0074671968062201425,v0,hcp,31.450745831983905 +18,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,9256.0,1.0,0.0022929354438060733,-0.0022929354438060733,v0,hcp,31.45237329729972 +19,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,11637.0,1.0,0.004128948392039947,-0.004128948392039947,v0,hcp,31.451795814412147 +20,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,14449.0,1.0,0.004060008082806632,-0.004060008082806632,v0,hcp,31.451817498272753 +21,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,17650.0,1.0,0.0017426861646182533,0.0017426861646182533,v0,hcp,31.453642625177736 +22,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,23287.0,1.0,0.0008090925027648008,0.0008090925027648008,v0,hcp,31.453348981081056 +23,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,27612.0,1.0,0.00014938081001530484,-0.00014938081001530484,v0,hcp,31.453047511564268 +24,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,35113.0,1.0,0.0008813080633113502,-0.0008813080633113502,v0,hcp,31.452817297793647 +25,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,43862.0,1.0,5.650254041940073e-05,5.650254041940073e-05,v0,hcp,31.453112268249036 +26,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,53955.0,1.0,0.0009458472199837677,-0.0009458472199837677,v0,hcp,31.45279699823171 +27,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,69712.0,1.0,0.0002367841186757776,0.0002367841186757776,v0,hcp,31.4531689723842 +28,TetraBloechl,allKp_without_spin,VASP,Pt,PBE,31.4530944964516,6.970423623793039e-05,83317.0,1.0,0.0004983302280589384,-0.0004983302280589384,v0,hcp,31.45293775617407 +0,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,16.0,1.0,2.314119340872199,-2.314119340872199,B,hcp,363.3398617962377 +1,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,36.0,1.0,1.1153867633109362,-1.1153867633109362,B,hcp,367.79851361083917 +2,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,72.0,1.0,0.06602243980985999,-0.06602243980985999,B,hcp,371.7015944419905 +3,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,128.0,1.0,0.2887736398359886,-0.2887736398359886,B,hcp,370.8730776728695 +4,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,162.0,1.0,0.1746233471248366,-0.1746233471248366,B,hcp,371.2976564482033 +5,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,243.0,1.0,0.042990274580458496,-0.042990274580458496,B,hcp,371.7872619271465 +6,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,363.0,1.0,0.09609181213070836,-0.09609181213070836,B,hcp,371.5897522647009 +7,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,507.0,1.0,0.061587999564949175,-0.061587999564949175,B,hcp,371.71808821667776 +8,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,900.0,1.0,0.02968816375502872,0.02968816375502872,B,hcp,372.05758731667277 +9,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,1156.0,1.0,0.013168459793632214,0.013168459793632214,B,hcp,371.9961427464466 +10,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,1300.0,1.0,0.002862229991644625,0.002862229991644625,B,hcp,371.95780901708235 +11,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,1624.0,1.0,0.004671468182404864,-0.004671468182404864,B,hcp,371.9297876404525 +12,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,2425.0,1.0,0.1524771401257968,0.1524771401257968,B,hcp,372.514297430802 +13,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,2909.0,1.0,0.10495696942346323,0.10495696942346323,B,hcp,372.3375475040057 +14,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,4062.0,1.0,0.016873173542104304,0.016873173542104304,B,hcp,372.0099223241326 +15,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,4738.0,1.0,0.0011053437446839484,-0.0011053437446839484,B,hcp,371.94305173912886 +16,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,6307.0,1.0,0.07584171312855019,-0.07584171312855019,B,hcp,371.66507193345115 +17,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,7207.0,1.0,0.0672059872135612,-0.0672059872135612,B,hcp,371.6971922709992 +18,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,9256.0,1.0,0.008573136108865738,-0.008573136108865738,B,hcp,371.915275497289 +19,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,11637.0,1.0,0.0011531959939087642,0.0011531959939087642,B,hcp,371.9514523136126 +20,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,14449.0,1.0,0.016321812381225927,-0.016321812381225927,B,hcp,371.88645451572125 +21,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,17650.0,1.0,0.00904506676100867,0.00904506676100867,B,hcp,371.9808059030411 +22,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,23287.0,1.0,0.006156931016541723,0.006156931016541723,B,hcp,371.97006356407496 +23,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,27612.0,1.0,0.003227105602603366,0.003227105602603366,B,hcp,371.95916616156603 +24,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,35113.0,1.0,4.074933019167985e-05,-4.074933019167985e-05,B,hcp,371.9470114678514 +25,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,43862.0,1.0,0.0018162315357525766,-0.0018162315357525766,B,hcp,371.94040761215757 +26,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,53955.0,1.0,0.0021221730755785853,0.0021221730755785853,B,hcp,371.9550563963783 +27,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,69712.0,1.0,0.0020928019620073354,-0.0020928019620073354,B,hcp,371.9393789163034 +28,TetraBloechl,allKp_without_spin,VASP,Re,PBE,371.947163033829,0.00414190896326435,83317.0,1.0,0.0003004057551269212,-0.0003004057551269212,B,hcp,371.9460456831452 +0,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,16.0,1.0,0.6329225513249265,-0.6329225513249265,E0,hcp,-24.695513952637395 +1,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,36.0,1.0,0.7898022253213057,-0.7898022253213057,E0,hcp,-24.65652494060709 +2,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,72.0,1.0,0.04682351516750195,-0.04682351516750195,E0,hcp,-24.84117605015183 +3,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,128.0,1.0,0.051719900043207916,-0.051719900043207916,E0,hcp,-24.839959160774374 +4,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,162.0,1.0,0.06411353552175401,-0.06411353552175401,E0,hcp,-24.83687899372365 +5,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,243.0,1.0,0.033310827478618965,-0.033310827478618965,E0,hcp,-24.84453433315588 +6,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,363.0,1.0,0.012405737273648859,-0.012405737273648859,E0,hcp,-24.849729836134266 +7,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,507.0,1.0,0.02225173121921101,-0.02225173121921101,E0,hcp,-24.847282829669926 +8,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,900.0,1.0,0.0015041640128582864,-0.0015041640128582864,E0,hcp,-24.85243918375201 +9,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,1156.0,1.0,0.0054561549065158775,-0.0054561549065158775,E0,hcp,-24.851457002845002 +10,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,1300.0,1.0,0.0043211286088429435,0.0043211286088429435,E0,hcp,-24.853886932834612 +11,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,1624.0,1.0,0.0013889799778020494,0.0013889799778020494,E0,hcp,-24.853158211418144 +12,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,2425.0,1.0,0.0010257421451139274,0.0010257421451139274,E0,hcp,-24.8530679365988 +13,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,2909.0,1.0,0.002910836661483605,0.002910836661483605,E0,hcp,-24.853536435614032 +14,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,4062.0,1.0,0.0007604943187063122,-0.0007604943187063122,E0,hcp,-24.852624006590514 +15,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,4738.0,1.0,0.0010881174426228043,-0.0010881174426228043,E0,hcp,-24.852542583028146 +16,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,6307.0,1.0,1.341073069556375e-05,-1.341073069556375e-05,E0,hcp,-24.85280967787768 +17,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,7207.0,1.0,0.0007484580207809702,-0.0007484580207809702,E0,hcp,-24.852626997949127 +18,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,9256.0,1.0,0.0006958939212529142,-0.0006958939212529142,E0,hcp,-24.852640061606497 +19,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,11637.0,1.0,0.000330186070061271,-0.000330186070061271,E0,hcp,-24.852730950294923 +20,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,14449.0,1.0,0.0004260141712765397,-0.0004260141712765397,E0,hcp,-24.852707134316116 +21,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,17650.0,1.0,0.00013699552513270338,-0.00013699552513270338,E0,hcp,-24.8527789635798 +22,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,23287.0,1.0,6.361494887420824e-05,-6.361494887420824e-05,E0,hcp,-24.852797200717212 +23,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,27612.0,1.0,6.912147557857869e-05,-6.912147557857869e-05,E0,hcp,-24.852795832190427 +24,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,35113.0,1.0,5.390733401122949e-05,-5.390733401122949e-05,E0,hcp,-24.85279961333257 +25,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,43862.0,1.0,7.689144204736833e-06,-7.689144204736833e-06,E0,hcp,-24.85281109985287 +26,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,53955.0,1.0,1.5746489162030585e-05,1.5746489162030585e-05,E0,hcp,-24.85281692426701 +27,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,69712.0,1.0,5.72297763464277e-05,-5.72297763464277e-05,E0,hcp,-24.8527987876122 +28,TetraBloechl,allKp_without_spin,VASP,Re,PBE,-24.8528130108215,4.26289319439233e-06,83317.0,1.0,2.7201009656303727e-05,-2.7201009656303727e-05,E0,hcp,-24.852806250605436 +0,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,16.0,1.0,1.1870669888158885,1.1870669888158885,dB,hcp,4.572849449733336 +1,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,36.0,1.0,2.548680734188022,-2.548680734188022,dB,hcp,4.404023408739685 +2,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,72.0,1.0,2.1189506094738304,2.1189506094738304,dB,hcp,4.614963166720627 +3,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,128.0,1.0,1.7012848575819808,-1.7012848575819808,dB,hcp,4.44231895266006 +4,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,162.0,1.0,0.7041267768312113,0.7041267768312113,dB,hcp,4.551024398881013 +5,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,243.0,1.0,0.5335001078456582,-0.5335001078456582,dB,hcp,4.49509352167518 +6,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,363.0,1.0,0.5140289140871068,-0.5140289140871068,dB,hcp,4.4959734645405485 +7,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,507.0,1.0,0.17382195461654976,-0.17382195461654976,dB,hcp,4.5113481092822765 +8,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,900.0,1.0,0.28376118800514394,0.28376118800514394,dB,hcp,4.532027222574256 +9,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,1156.0,1.0,0.10588943402705824,-0.10588943402705824,dB,hcp,4.514418118114838 +10,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,1300.0,1.0,0.5156018845067325,-0.5156018845067325,dB,hcp,4.495902378806652 +11,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,1624.0,1.0,0.2977960663285576,0.2977960663285576,dB,hcp,4.532661487283455 +12,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,2425.0,1.0,0.08414754778687175,-0.08414754778687175,dB,hcp,4.515400678193792 +13,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,2909.0,1.0,0.30815691768286746,0.30815691768286746,dB,hcp,4.533129715238116 +14,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,4062.0,1.0,0.16432500935276942,0.16432500935276942,dB,hcp,4.526629658635684 +15,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,4738.0,1.0,1.2260731546932353,1.2260731546932353,dB,hcp,4.574612217737946 +16,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,6307.0,1.0,0.13034234405637188,-0.13034234405637188,dB,hcp,4.51331304135454 +17,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,7207.0,1.0,0.1207723889787685,-0.1207723889787685,dB,hcp,4.513745527097165 +18,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,9256.0,1.0,0.14391341388402518,0.14391341388402518,dB,hcp,4.525707217103529 +19,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.5192034770992695,0.0007195549312439389,11637.0,1.0,0.006221949907791266,0.006221949907791266,dB,hcp,4.519484659675846 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+22,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,110592.0,1.0,0.00047272354483444414,0.00047272354483444414,E0,bcc,-6.921575603613597 +23,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,125000.0,1.0,0.0006859860276585879,0.0006859860276585879,E0,bcc,-6.921590364667802 +24,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,140608.0,1.0,2.5831980282535976e-06,2.5831980282535976e-06,E0,bcc,-6.92154306264788 +25,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,157464.0,1.0,0.00023798946415369966,0.00023798946415369966,E0,bcc,-6.921559356393541 +26,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,175616.0,1.0,0.0003092826550499127,0.0003092826550499127,E0,bcc,-6.921564290982322 +27,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,195112.0,1.0,1.4014315215510517e-05,-1.4014315215510517e-05,E0,bcc,-6.921541913843883 +28,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,216000.0,1.0,2.7253238857095583e-05,2.7253238857095583e-05,E0,bcc,-6.921544770195335 +29,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,238328.0,1.0,8.454685453824015e-06,-8.454685453824015e-06,E0,bcc,-6.921542298656041 +30,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,262144.0,1.0,7.499866737361343e-05,-7.499866737361343e-05,E0,bcc,-6.921537692785796 +31,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,287496.0,1.0,9.925011740751894e-05,9.925011740751894e-05,E0,bcc,-6.921549753490159 +32,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,314432.0,1.0,4.1890511473142384e-05,4.1890511473142384e-05,E0,bcc,-6.921545783320436 +33,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-6.92154288385072,6.41171766918925e-07,343000.0,1.0,3.2522938669346256e-05,-3.2522938669346256e-05,E0,bcc,-6.921540632761573 +0,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,64.0,1.0,1.134248209149844,1.134248209149844,dB,bcc,5.233244995678628 +1,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,216.0,1.0,3.952988851365493,-3.952988851365493,dB,bcc,4.970003231783614 +2,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,512.0,1.0,0.18612136853721573,0.18612136853721573,dB,bcc,5.184183672420027 +3,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,1000.0,1.0,0.1443723149592671,0.1443723149592671,dB,bcc,5.182023345630833 +4,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,1728.0,1.0,0.04132861455863451,-0.04132861455863451,dB,bcc,5.1724141531238335 +5,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,2744.0,1.0,0.2620125541290699,-0.2620125541290699,dB,bcc,5.160994746317198 +6,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,4096.0,1.0,0.4528719832893367,0.4528719832893367,dB,bcc,5.197986823622168 +7,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,5832.0,1.0,0.22026853921556527,0.22026853921556527,dB,bcc,5.185950635770559 +8,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,8000.0,1.0,0.20925171090260464,0.20925171090260464,dB,bcc,5.185380564180983 +9,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,10648.0,1.0,0.0979710147597451,0.0979710147597451,dB,bcc,5.179622285887353 +10,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,13824.0,1.0,0.430875899850936,-0.430875899850936,dB,bcc,5.152256823461184 +11,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,17576.0,1.0,0.02167099404936664,-0.02167099404936664,dB,bcc,5.173431347061385 +12,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,21952.0,1.0,0.037475672281737975,-0.037475672281737975,dB,bcc,5.1726135256533805 +13,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,27000.0,1.0,0.18167945396426272,-0.18167945396426272,dB,bcc,5.165151624940108 +14,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,32768.0,1.0,0.052191104015047236,-0.052191104015047236,dB,bcc,5.171852067879764 +15,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,5.1745527240743,0.00019081918204041202,39304.0,1.0,0.0205918540956652,0.0205918540956652,dB,bcc,5.175618260421345 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+34,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,198.04268888994,0.00194910411935135,357911.0,1.0,0.0001269872452303149,-0.0001269872452303149,B,fcc,198.04243740098497 +0,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,27.0,1.0,2.1691813912524385,-2.1691813912524385,E0,fcc,-11.361327521331749 +1,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,125.0,1.0,0.4449356921546974,0.4449356921546974,E0,fcc,-11.664911205758175 +2,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,343.0,1.0,0.008498630518667576,-0.008498630518667576,E0,fcc,-11.612252790725302 +3,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,729.0,1.0,0.08452878932269604,0.08452878932269604,E0,fcc,-11.62305628803129 +4,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,1331.0,1.0,0.0078010374880197264,-0.0078010374880197264,E0,fcc,-11.612333803876481 +5,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,2197.0,1.0,0.013129848290944485,0.013129848290944485,E0,fcc,-11.614764557825268 +6,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,3375.0,1.0,0.0035511759203557397,-0.0035511759203557397,E0,fcc,-11.612827350489676 +7,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,4913.0,1.0,0.005307375171177924,0.005307375171177924,E0,fcc,-11.613856115266938 +8,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,6859.0,1.0,0.0011132137200442053,0.0011132137200442053,E0,fcc,-11.61336903724182 +9,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,9261.0,1.0,0.00029281679074941316,0.00029281679074941316,E0,fcc,-11.61327376257946 +10,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,12167.0,1.0,0.0008534834596502871,0.0008534834596502871,E0,fcc,-11.613338874143958 +11,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,15625.0,1.0,0.0005364638576533351,0.0005364638576533351,E0,fcc,-11.613302057897501 +12,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,19683.0,1.0,0.0002758553730666592,0.0002758553730666592,E0,fcc,-11.61327179280936 +13,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,24389.0,1.0,6.1255303753677e-06,6.1255303753677e-06,E0,fcc,-11.613240468436034 +14,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,29791.0,1.0,0.0005655630609008546,0.0005655630609008546,E0,fcc,-11.613305437257743 +15,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,35937.0,1.0,0.00012926346808688128,0.00012926346808688128,E0,fcc,-11.613254768739967 +16,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,42875.0,1.0,5.079160448349691e-05,5.079160448349691e-05,E0,fcc,-11.613245655614307 +17,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,50653.0,1.0,0.00012887453077150228,-0.00012887453077150228,E0,fcc,-11.613224790555256 +18,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,59319.0,1.0,0.00017732112048977956,0.00017732112048977956,E0,fcc,-11.613260349790366 +19,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,68921.0,1.0,0.0001360665535263907,0.0001360665535263907,E0,fcc,-11.613255558798592 +20,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,79507.0,1.0,1.176279619433022e-05,-1.176279619433022e-05,E0,fcc,-11.613238391021776 +21,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,91125.0,1.0,1.9753454820950486e-05,-1.9753454820950486e-05,E0,fcc,-11.613237463047431 +22,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,103823.0,1.0,0.00016062262047784824,0.00016062262047784824,E0,fcc,-11.613258410553524 +23,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,117649.0,1.0,6.738036579725403e-05,6.738036579725403e-05,E0,fcc,-11.613247582106931 +24,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,132651.0,1.0,6.841268776055679e-05,-6.841268776055679e-05,E0,fcc,-11.613231812134046 +25,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,148877.0,1.0,2.072598821527235e-06,-2.072598821527235e-06,E0,fcc,-11.613239516367633 +26,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,166375.0,1.0,1.1250402990728884e-05,1.1250402990728884e-05,E0,fcc,-11.613241063599775 +27,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,185193.0,1.0,2.3709646812984666e-05,2.3709646812984666e-05,E0,fcc,-11.613242510521633 +28,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,205379.0,1.0,1.82639638312318e-05,-1.82639638312318e-05,E0,fcc,-11.613237636025591 +29,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.613239757063502,2.74206650043262e-07,226981.0,1.0,4.38766290451177e-05,4.38766290451177e-05,E0,fcc,-11.613244852561632 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+15,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,42875.0,1.0,0.001039639340830076,0.001039639340830076,v0,fcc,13.6629134028119 +16,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,50653.0,1.0,0.0011564385018946169,-0.0011564385018946169,v0,fcc,13.662613357717378 +17,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,59319.0,1.0,0.0017197162484733509,-0.0017197162484733509,v0,fcc,13.662536398366745 +18,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,68921.0,1.0,0.00028710647161724355,0.00028710647161724355,v0,fcc,13.662810585966575 +19,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,79507.0,1.0,0.0012635723872344551,0.0012635723872344551,v0,fcc,13.662943998272027 +20,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,91125.0,1.0,0.0016135028487138082,-0.0016135028487138082,v0,fcc,13.662550910060705 +21,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,103823.0,1.0,0.00048042909339129783,-0.00048042909339129783,v0,fcc,13.662705719337227 +22,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,117649.0,1.0,8.586151578362777e-05,8.586151578362777e-05,v0,fcc,13.662783090328386 +23,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,132651.0,1.0,8.508152038226753e-05,8.508152038226753e-05,v0,fcc,13.662782983759401 +24,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,148877.0,1.0,0.001028843678253461,-0.001028843678253461,v0,fcc,13.662630790706398 +25,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,166375.0,1.0,8.821032967853626e-05,8.821032967853626e-05,v0,fcc,13.66278341124146 +26,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,185193.0,1.0,0.0004894022552621692,0.0004894022552621692,v0,fcc,13.662838225176964 +27,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,205379.0,1.0,0.0007951943150764343,-0.0007951943150764343,v0,fcc,13.662662713684671 +28,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,226981.0,1.0,0.0012060840391325733,-0.0012060840391325733,v0,fcc,13.662606574761135 +29,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,250047.0,1.0,0.0007629647185117032,-0.0007629647185117032,v0,fcc,13.66266711714076 +30,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,274625.0,1.0,0.0006345168509770095,0.0006345168509770095,v0,fcc,13.662858051852385 +31,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,300763.0,1.0,0.00115065393566867,-0.00115065393566867,v0,fcc,13.662614148049435 +32,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,328509.0,1.0,0.00027077698693576296,-0.00027077698693576296,v0,fcc,13.662734363625185 +33,TetraBloechl,allKp_without_spin,VASP,V,PBE,13.662771359265802,1.31936950765307e-05,357911.0,1.0,0.000311081015553453,0.000311081015553453,v0,fcc,13.6628138615537 +0,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,4.0,1.0,29.862274089270784,29.862274089270784,B,hcp,230.3966501732029 +1,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,16.0,1.0,3.5687696277973413,3.5687696277973413,B,hcp,183.7477262133987 +2,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,36.0,1.0,0.6613861426227796,-0.6613861426227796,B,hcp,176.2427466028795 +3,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,72.0,1.0,1.6709805705128742,-1.6709805705128742,B,hcp,174.4515630135677 +4,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,128.0,1.0,0.2260176991300843,-0.2260176991300843,B,hcp,177.01516054430545 +5,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,162.0,1.0,0.6127002823121224,0.6127002823121224,B,hcp,178.5031817168862 +6,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,243.0,1.0,0.3122058593442492,0.3122058593442492,B,hcp,177.97005607332989 +7,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,363.0,1.0,0.10956339317476453,-0.10956339317476453,B,hcp,177.22176929329368 +8,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,507.0,1.0,0.3750941334560837,-0.3750941334560837,B,hcp,176.75067487031467 +9,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,900.0,1.0,0.18415471757939736,-0.18415471757939736,B,hcp,177.0894322354735 +10,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,1156.0,1.0,0.09952342969576744,-0.09952342969576744,B,hcp,177.23958181020555 +11,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,1300.0,1.0,0.16622432991612085,0.16622432991612085,B,hcp,177.7110612605309 +12,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,1624.0,1.0,0.07635407488082861,0.07635407488082861,B,hcp,177.55161691185032 +13,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,2425.0,1.0,0.13536092886979104,-0.13536092886979104,B,hcp,177.17600029803668 +14,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,2909.0,1.0,0.04550738710070132,-0.04550738710070132,B,hcp,177.33541499468342 +15,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,4062.0,1.0,0.017139750752015546,-0.017139750752015546,B,hcp,177.38574376363425 +16,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,4738.0,1.0,0.012130934831245128,-0.012130934831245128,B,hcp,177.39463021212418 +17,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,6307.0,1.0,0.10358965777769916,-0.10358965777769916,B,hcp,177.23236766479272 +18,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,7207.0,1.0,0.027708237981809613,-0.027708237981809613,B,hcp,177.36699356021902 +19,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,9256.0,1.0,0.04011599778309618,-0.04011599778309618,B,hcp,177.34498019017428 +20,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,11637.0,1.0,0.0009997173898766726,-0.0009997173898766726,B,hcp,177.41437878982947 +21,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,14449.0,1.0,0.042053041986648866,-0.042053041986648866,B,hcp,177.3415435608771 +22,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,23287.0,1.0,0.003280177138442107,-0.003280177138442107,B,hcp,177.4103328858854 +23,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,27612.0,1.0,0.01936634851421873,-0.01936634851421873,B,hcp,177.381793419554 +24,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,43862.0,1.0,0.0001330953069413175,0.0001330953069413175,B,hcp,177.41638858253066 +25,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,53955.0,1.0,0.001344397181759968,-0.001344397181759968,B,hcp,177.41376727220447 +26,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,69712.0,1.0,0.013510808057007969,-0.013510808057007969,B,hcp,177.39218209413838 +27,TetraBloechl,allKp_without_spin,VASP,V,PBE,177.416152449958,0.00502448172414692,83317.0,1.0,0.00036483212471261295,0.00036483212471261295,B,hcp,177.41679972107656 +0,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,4.0,1.0,24.41892971415844,24.41892971415844,E0,hcp,-21.60606173859951 +1,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,16.0,1.0,0.7431198824991316,0.7431198824991316,E0,hcp,-17.494621380533474 +2,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,36.0,1.0,0.08011891835701092,-0.08011891835701092,E0,hcp,-17.351661234535012 +3,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,72.0,1.0,0.0027862757169529496,0.0027862757169529496,E0,hcp,-17.366058197647682 +4,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,128.0,1.0,0.1009118380647856,0.1009118380647856,E0,hcp,-17.383098265128513 +5,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,162.0,1.0,0.07907114038501137,0.07907114038501137,E0,hcp,-17.379305502535495 +6,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,243.0,1.0,0.03968077512278932,0.03968077512278932,E0,hcp,-17.37246513937117 +7,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,363.0,1.0,0.037061662648044745,0.037061662648044745,E0,hcp,-17.37201031544719 +8,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,507.0,1.0,0.017412218910663173,0.017412218910663173,E0,hcp,-17.368598076686627 +9,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,900.0,1.0,0.006150917993844382,0.006150917993844382,E0,hcp,-17.366642487103714 +10,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,1156.0,1.0,0.006459207585964851,0.006459207585964851,E0,hcp,-17.366696023362035 +11,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,1300.0,1.0,0.004251840319119254,0.004251840319119254,E0,hcp,-17.366312701358243 +12,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,1624.0,1.0,0.004333717660440248,0.004333717660440248,E0,hcp,-17.366326919828822 +13,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,2425.0,1.0,0.0011576335024749294,0.0011576335024749294,E0,hcp,-17.365775374573115 +14,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,2909.0,1.0,0.0008344278834404595,0.0008344278834404595,E0,hcp,-17.365719248061055 +15,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,4062.0,1.0,0.0010706439530371603,-0.0010706439530371603,E0,hcp,-17.365388421394965 +16,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,4738.0,1.0,9.259188188604007e-06,-9.259188188604007e-06,E0,hcp,-17.365572736955393 +17,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,6307.0,1.0,0.0007893896723671637,-0.0007893896723671637,E0,hcp,-17.365437262816176 +18,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,7207.0,1.0,0.0008237343472192739,-0.0008237343472192739,E0,hcp,-17.365431298666135 +19,TetraBloechl,allKp_without_spin,VASP,V,PBE,-17.3655743448666,2.72455293838769e-06,9256.0,1.0,0.0006476047205717089,-0.0006476047205717089,E0,hcp,-17.36546188458739 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+6,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,243.0,1.0,0.08101314916375986,0.08101314916375986,B,hcp,41.198622181047405 +7,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,363.0,1.0,0.21184808868606086,0.21184808868606086,B,hcp,41.25248074094653 +8,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,507.0,1.0,0.07901055346016336,0.07901055346016336,B,hcp,41.197797807060994 +9,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,900.0,1.0,0.18134669468380202,0.18134669468380202,B,hcp,41.23992475886808 +10,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,1156.0,1.0,0.029376951749680195,0.029376951749680195,B,hcp,41.177365999468215 +11,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,1300.0,1.0,0.8576934913956749,0.8576934913956749,B,hcp,41.51834476346539 +12,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,1624.0,1.0,1.0113957692800963,1.0113957692800963,B,hcp,41.58161672560559 +13,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,2425.0,1.0,0.18023712403362332,0.18023712403362332,B,hcp,41.239468001081946 +14,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,2909.0,1.0,0.08148085458685983,0.08148085458685983,B,hcp,41.19881471326117 +15,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,4062.0,1.0,0.012785795864383612,0.012785795864383612,B,hcp,41.17053620487125 +16,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,4738.0,1.0,0.0857177478565124,0.0857177478565124,B,hcp,41.20055884193799 +17,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,6307.0,1.0,0.013151110680786966,-0.013151110680786966,B,hcp,41.15985920651085 +18,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,7207.0,1.0,0.039324509447046664,-0.039324509447046664,B,hcp,41.14908485548227 +19,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,9256.0,1.0,0.023381530752876408,0.023381530752876408,B,hcp,41.17489796805353 +20,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,11637.0,1.0,0.00786784492987376,-0.00786784492987376,B,hcp,41.162034077275095 +21,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,14449.0,1.0,0.011957701345068562,-0.011957701345068562,B,hcp,41.16035047672068 +22,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,17650.0,1.0,0.011095863176033931,-0.011095863176033931,B,hcp,41.160705254754895 +23,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,23287.0,1.0,0.020641804088527,0.020641804088527,B,hcp,41.173770152095535 +24,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1652728971116,0.00294241205055808,27612.0,1.0,0.0033103629791306484,-0.0033103629791306484,B,hcp,41.16391017715736 +0,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,4.0,1.0,17.051347787653185,17.051347787653185,E0,hcp,-15.060351821576088 +1,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,16.0,1.0,0.03151991592926876,0.03151991592926876,E0,hcp,-12.87050436970534 +2,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,36.0,1.0,0.013334614160453579,0.013334614160453579,E0,hcp,-12.86816456715034 +3,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,72.0,1.0,0.10946193827889043,0.10946193827889043,E0,hcp,-12.880532740163748 +4,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,128.0,1.0,0.01448574654284644,0.01448574654284644,E0,hcp,-12.868312677009813 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+11,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,1300.0,1.0,0.0015480859423669144,-0.0015480859423669144,E0,hcp,-12.86624969215027 +12,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,1624.0,1.0,0.0010039482551842456,-0.0010039482551842456,E0,hcp,-12.866319703347607 +13,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,2425.0,1.0,0.0017324582406491173,0.0017324582406491173,E0,hcp,-12.866671781690426 +14,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,2909.0,1.0,0.0013013478567622373,0.0013013478567622373,E0,hcp,-12.866616313093285 +15,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.866448875836596,3.07604873639601e-06,4062.0,1.0,0.00038611723037987783,0.00038611723037987783,E0,hcp,-12.866498555412646 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+8,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,507.0,1.0,0.6095296868994097,-0.6095296868994097,dB,hcp,3.0632803967854025 +9,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,900.0,1.0,0.7927946524386319,0.7927946524386319,dB,hcp,3.10650096556928 +10,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,1156.0,1.0,1.4261590140503506,1.4261590140503506,dB,hcp,3.1260216764265247 +11,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,1300.0,1.0,11.009948102500449,11.009948102500449,dB,hcp,3.4214004300343084 +12,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,1624.0,1.0,6.710481783813252,6.710481783813252,dB,hcp,3.2888880186413054 +13,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,2425.0,1.0,1.2028412764101533,1.2028412764101533,dB,hcp,3.119138875230267 +14,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,2909.0,1.0,0.9469973533514776,-0.9469973533514776,dB,hcp,3.0528794188653365 +15,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,4062.0,1.0,0.6062137575830827,0.6062137575830827,dB,hcp,3.1007504183002585 +16,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,4738.0,1.0,1.0054871865520147,1.0054871865520147,dB,hcp,3.1130562909263246 +17,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,6307.0,1.0,0.8034492662228325,0.8034492662228325,dB,hcp,3.1068293478521847 +18,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,7207.0,1.0,1.5826984597613507,1.5826984597613507,dB,hcp,3.1308463262532094 +19,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,9256.0,1.0,0.4854512209667853,0.4854512209667853,dB,hcp,3.097028436606064 +20,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,11637.0,1.0,0.1500510725501472,-0.1500510725501472,dB,hcp,3.077441833265623 +21,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,14449.0,1.0,0.30528347058498384,0.30528347058498384,dB,hcp,3.0914755467149218 +22,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,17650.0,1.0,0.9182315888483978,0.9182315888483978,dB,hcp,3.110367015373918 +23,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,23287.0,1.0,0.6892926364790386,0.6892926364790386,dB,hcp,3.103310964601199 +24,TetraBloechl,allKp_without_spin,VASP,Y,PBE,3.08206650711626,0.00567152636704961,27612.0,1.0,0.18042392804609494,-0.18042392804609494,dB,hcp,3.076505721659128 +0,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,4.0,1.0,28.70763541424337,-28.70763541424337,v0,hcp,46.73127667741867 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+7,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,363.0,1.0,0.08035616558494421,-0.08035616558494421,v0,hcp,65.4961095576856 +8,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,507.0,1.0,0.03951603302926341,-0.03951603302926341,v0,hcp,65.52287976716161 +9,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,900.0,1.0,0.03231700434089355,-0.03231700434089355,v0,hcp,65.52759864278595 +10,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,1156.0,1.0,0.035122772662688664,-0.035122772662688664,v0,hcp,65.52575949582399 +11,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,1300.0,1.0,0.02338817765186115,0.02338817765186115,v0,hcp,65.56411271111844 +12,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,1624.0,1.0,0.02393146730609656,0.02393146730609656,v0,hcp,65.56446883086977 +13,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,2425.0,1.0,0.001170945120685236,0.001170945120685236,v0,hcp,65.54954958579003 +14,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,2909.0,1.0,0.0049855870936253615,0.0049855870936253615,v0,hcp,65.55205003714269 +15,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,4062.0,1.0,0.0039773753498458814,-0.0039773753498458814,v0,hcp,65.5461749244258 +16,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,4738.0,1.0,0.002803126642791816,-0.002803126642791816,v0,hcp,65.54694463015146 +17,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,6307.0,1.0,0.009383504199249559,-0.009383504199249559,v0,hcp,65.5426312728092 +18,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,7207.0,1.0,0.011020765314466642,-0.011020765314466642,v0,hcp,65.54155806808927 +19,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,9256.0,1.0,0.00506930382403604,-0.00506930382403604,v0,hcp,65.54545917861016 +20,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,11637.0,1.0,0.0009332322191114707,-0.0009332322191114707,v0,hcp,65.54817032317172 +21,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,14449.0,1.0,0.0022339188686321177,-0.0022339188686321177,v0,hcp,65.54731773891473 +22,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,17650.0,1.0,0.00416242611066999,-0.00416242611066999,v0,hcp,65.5460536259059 +23,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,23287.0,1.0,0.002487003862947697,-0.002487003862947697,v0,hcp,65.5471518447834 +24,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.548782045525,0.00046835797225186395,27612.0,1.0,0.0004448830365872047,-0.0004448830365872047,v0,hcp,65.54849043011299 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,4.0,1.0,2466.0103769447933,-2466.0103769447933,B,hcp,-1752.5612246060398 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,72.0,1.0,1.0346165782739452,-1.0346165782739452,B,hcp,73.30605784880437 +2,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,128.0,1.0,12.725676206420292,-12.725676206420292,B,hcp,64.64620665858939 +3,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,162.0,1.0,0.534325950865504,0.534325950865504,B,hcp,74.4682116022278 +4,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,243.0,1.0,0.5973155291270978,-0.5973155291270978,B,hcp,73.6299773335549 +5,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,363.0,1.0,2.3769336468816524,2.3769336468816524,B,hcp,75.83307577681714 +6,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,507.0,1.0,1.3812131270555772,1.3812131270555772,B,hcp,75.09552145727729 +7,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,900.0,1.0,0.1497605303441944,0.1497605303441944,B,hcp,74.18335467560675 +8,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,1156.0,1.0,0.2689628127363927,0.2689628127363927,B,hcp,74.27165069494833 +9,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,1300.0,1.0,0.27720746628501225,0.27720746628501225,B,hcp,74.27775770963451 +10,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,1624.0,1.0,0.4234915948383742,0.4234915948383742,B,hcp,74.38611390873494 +11,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,2425.0,1.0,0.06087852179990354,-0.06087852179990354,B,hcp,74.02732922501166 +12,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,2909.0,1.0,0.15379741283263826,0.15379741283263826,B,hcp,74.18634489229663 +13,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,4062.0,1.0,0.11553144122453345,0.11553144122453345,B,hcp,74.15800035978073 +14,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,4738.0,1.0,0.19453414598940624,0.19453414598940624,B,hcp,74.21651957776858 +15,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,6307.0,1.0,0.24275113678252835,0.24275113678252835,B,hcp,74.25223507134993 +16,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,7207.0,1.0,0.035628337450914115,-0.035628337450914115,B,hcp,74.04603264847732 +17,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,9256.0,1.0,0.11666267088562307,0.11666267088562307,B,hcp,74.15883828900517 +18,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,11637.0,1.0,0.32478865992743605,0.32478865992743605,B,hcp,74.3130022528583 +19,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,14449.0,1.0,0.04921139563916945,0.04921139563916945,B,hcp,74.10887549480145 +20,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,17650.0,1.0,0.09860937277977257,-0.09860937277977257,B,hcp,73.99938106931333 +21,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,23287.0,1.0,0.04893078711333279,0.04893078711333279,B,hcp,74.10866764126605 +22,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,27612.0,1.0,0.018518865046477474,0.018518865046477474,B,hcp,74.08614079358206 +23,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,35113.0,1.0,0.04258004393834313,0.04258004393834313,B,hcp,74.10396349189107 +24,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,43862.0,1.0,0.02372125097955641,0.02372125097955641,B,hcp,74.08999432691844 +25,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,53955.0,1.0,0.0007028990102116673,0.0007028990102116673,B,hcp,74.07294407578306 +26,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,69712.0,1.0,0.016704395973032606,0.016704395973032606,B,hcp,74.08479677236714 +27,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.072423421452,0.00466381814280654,83317.0,1.0,0.009441993363204526,0.009441993363204526,B,hcp,74.07941733475542 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,4.0,1.0,15.001991430518252,-15.001991430518252,E0,hcp,-1.8821619649930776 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,72.0,1.0,2.3912506987681508,-2.3912506987681508,E0,hcp,-2.161409172723673 +2,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,128.0,1.0,2.1307041036111345,-2.1307041036111345,E0,hcp,-2.1671786124995727 +3,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,162.0,1.0,0.15199470082268748,-0.15199470082268748,E0,hcp,-2.210994363484588 +4,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,243.0,1.0,0.11723321294994753,-0.11723321294994753,E0,hcp,-2.21176410799298 +5,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,363.0,1.0,0.4133319281609049,-0.4133319281609049,E0,hcp,-2.20520741626534 +6,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,507.0,1.0,0.19875042149181293,0.19875042149181293,E0,hcp,-2.2187611234327047 +7,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,900.0,1.0,0.0917990558637774,0.0917990558637774,E0,hcp,-2.216392835094225 +8,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,1156.0,1.0,0.10137109428151853,-0.10137109428151853,E0,hcp,-2.212115352415577 +9,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,1300.0,1.0,0.13411270020042593,-0.13411270020042593,E0,hcp,-2.2113903353667017 +10,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,1624.0,1.0,0.029554200024010095,0.029554200024010095,E0,hcp,-2.2150145098587304 +11,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,2425.0,1.0,0.039251154566538486,0.039251154566538486,E0,hcp,-2.2152292353484606 +12,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,2909.0,1.0,0.010128828272966607,0.010128828272966607,E0,hcp,-2.2145843621825554 +13,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,4062.0,1.0,0.02183439631065644,-0.02183439631065644,E0,hcp,-2.2138765812991874 +14,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,4738.0,1.0,0.007301226416040841,0.007301226416040841,E0,hcp,-2.2145217488959994 +15,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,6307.0,1.0,0.0009695245665722416,-0.0009695245665722416,E0,hcp,-2.2143386046884657 +16,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,7207.0,1.0,0.004270916331361614,-0.004270916331361614,E0,hcp,-2.2142654999873574 +17,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,9256.0,1.0,0.0025099969360231635,0.0025099969360231635,E0,hcp,-2.2144156538233664 +18,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,11637.0,1.0,0.003164182443547864,-0.003164182443547864,E0,hcp,-2.214290007060689 +19,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,14449.0,1.0,0.0005511307473307766,0.0005511307473307766,E0,hcp,-2.214372277472592 +20,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,17650.0,1.0,0.005229520619522986,-0.005229520619522986,E0,hcp,-2.2142442730367384 +21,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,23287.0,1.0,0.0009902539568600347,0.0009902539568600347,E0,hcp,-2.2143820012416167 +22,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,27612.0,1.0,0.002990664500677564,-0.002990664500677564,E0,hcp,-2.214293849372736 +23,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,35113.0,1.0,0.0009186175851735607,0.0009186175851735607,E0,hcp,-2.2143804149544044 +24,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,43862.0,1.0,0.0025294624805014647,-0.0025294624805014647,E0,hcp,-2.214304062046129 +25,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,53955.0,1.0,0.0007774334998814246,-0.0007774334998814246,E0,hcp,-2.214342858276351 +26,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,69712.0,1.0,0.00041891543556913817,-0.00041891543556913817,E0,hcp,-2.2143507971572234 +27,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21436007345337,6.64802945216143e-06,83317.0,1.0,0.0002836916957075913,-0.0002836916957075913,E0,hcp,-2.2143537914977287 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,4.0,1.0,515.3151273346901,515.3151273346901,dB,hcp,32.94374223054118 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,72.0,1.0,0.6083777068919322,0.6083777068919322,dB,hcp,5.38653498698392 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+20,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,17650.0,1.0,1.1479683837120886,1.1479683837120886,dB,hcp,5.4154244704005965 +21,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,23287.0,1.0,0.7090348833615455,-0.7090348833615455,dB,hcp,5.316001208670073 +22,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,27612.0,1.0,0.19207488450019397,-0.19207488450019397,dB,hcp,5.343679054036495 +23,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,35113.0,1.0,0.10230660557197156,-0.10230660557197156,dB,hcp,5.348485214181299 +24,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,43862.0,1.0,0.0636438825887288,-0.0636438825887288,dB,hcp,5.3505552019376665 +25,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,53955.0,1.0,0.8979319981228707,-0.8979319981228707,dB,hcp,5.305887727657921 +26,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,69712.0,1.0,0.21608701110739606,-0.21608701110739606,dB,hcp,5.342393453741275 +27,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.3539626716542585,0.00844104351203715,83317.0,1.0,0.14081779325939786,0.14081779325939786,dB,hcp,5.361502003740414 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,4.0,1.0,9.442963662567925,-9.442963662567925,v0,hcp,27.715170063065443 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,72.0,1.0,0.2527289878618435,0.2527289878618435,v0,hcp,30.68255704428889 +2,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,128.0,1.0,1.3355285921527231,-1.3355285921527231,v0,hcp,30.196467495487465 +3,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,162.0,1.0,0.6912970746745655,0.6912970746745655,v0,hcp,30.816781723031202 +4,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,243.0,1.0,0.5914268746705688,0.5914268746705688,v0,hcp,30.786216239781183 +5,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,363.0,1.0,2.054695688526774,-2.054695688526774,v0,hcp,29.976364903950593 +6,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,507.0,1.0,0.6867749186847523,-0.6867749186847523,v0,hcp,30.395019911913785 +7,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,900.0,1.0,0.03040734067554465,0.03040734067554465,v0,hcp,30.61451503993807 +8,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,1156.0,1.0,0.956691083020766,-0.956691083020766,v0,hcp,30.312411506207265 +9,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,1300.0,1.0,0.8975582873395817,-0.8975582873395817,v0,hcp,30.330509221800575 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+16,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,7207.0,1.0,0.11808505067761155,-0.11808505067761155,v0,hcp,30.56906863349772 +17,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,9256.0,1.0,0.101494158825483,-0.101494158825483,v0,hcp,30.57414631059248 +18,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,11637.0,1.0,0.09006502731387586,-0.09006502731387586,v0,hcp,30.57764422015676 +19,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,14449.0,1.0,0.051990367717313725,-0.051990367717313725,v0,hcp,30.589297049229923 +20,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,17650.0,1.0,0.02420999214964293,-0.02420999214964293,v0,hcp,30.597799291180557 +21,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,23287.0,1.0,0.03895331645435606,-0.03895331645435606,v0,hcp,30.59328706599159 +22,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,27612.0,1.0,0.012119542500197414,-0.012119542500197414,v0,hcp,30.601499598541817 +23,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,35113.0,1.0,0.030668608990362868,-0.030668608990362868,v0,hcp,30.59582261801023 +24,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,43862.0,1.0,0.03925995612700565,-0.03925995612700565,v0,hcp,30.59319321827948 +25,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,53955.0,1.0,0.0006733522756557454,-0.0006733522756557454,v0,hcp,30.60500272896081 +26,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,69712.0,1.0,0.006814418786593755,-0.006814418786593755,v0,hcp,30.603123242731986 +27,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.6052088098308,0.00102160053675987,83317.0,1.0,0.011699320480628914,-0.011699320480628914,v0,hcp,30.60162820836837 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,6.0,1.0,110.94123260846796,110.94123260846796,B,bcc,79.1949643933 +1,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,38.0,1.0,7.907373633962092,7.907373633962092,B,bcc,40.5123289887 +2,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,38.0,1.0,7.83146690082712,7.83146690082712,B,bcc,40.483830857 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,28.0,1.0,1.8405350682408648,1.8405350682408648,B,bcc,38.2346184707 +4,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,6.0,1.0,111.1898858290683,111.1898858290683,B,bcc,79.2883178013 +5,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.4064535931248777,0.4064535931248777,B,bcc,37.6962124419 +6,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.2644657193440235,-0.2644657193440235,B,bcc,37.4443250778 +7,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,42.0,1.0,5.30930060264812,5.30930060264812,B,bcc,39.5369184506 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,14.0,1.0,6.965272458241008,-6.965272458241008,B,bcc,34.9285999892 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,60.0,1.0,5.831877353813429,5.831877353813429,B,bcc,39.7331126545 +10,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,14.0,1.0,6.888678389058287,-6.888678389058287,B,bcc,34.9573561717 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,22.0,1.0,4.491848653202718,-4.491848653202718,B,bcc,35.8572127016 +12,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,44.0,1.0,5.78987102258821,5.78987102258821,B,bcc,39.7173419592 +13,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,34.0,1.0,5.554084978446702,5.554084978446702,B,bcc,39.6288193544 +14,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,54.0,1.0,6.206548348174916,6.206548348174916,B,bcc,39.8737776904 +15,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,54.0,1.0,6.276191423706207,6.276191423706207,B,bcc,39.8999242186 +16,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,62.0,1.0,5.459307098015717,5.459307098015717,B,bcc,39.5932363118 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,68.0,1.0,5.470904802424162,5.470904802424162,B,bcc,39.5975905093 +18,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,8.0,1.0,34.61197029960195,34.61197029960195,B,bcc,50.5381999667 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,52.0,1.0,5.703474411500044,5.703474411500044,B,bcc,39.6849055481 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,64.0,1.0,6.666947971866469,6.666947971866469,B,bcc,40.0466283529 +21,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,56.0,1.0,5.036834963655325,5.036834963655325,B,bcc,39.434624999899995 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,40.0,1.0,4.747795696394496,4.747795696394496,B,bcc,39.32610921 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,26.0,1.0,6.8515419894425085,6.8515419894425085,B,bcc,40.1159316203 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,16.0,1.0,4.977269998857406,4.977269998857406,B,bcc,39.412262158800004 +25,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,32.0,1.0,9.05898180275479,9.05898180275479,B,bcc,40.9446843267 +26,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,44.0,1.0,5.689545773327294,5.689545773327294,B,bcc,39.6796762338 +27,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.4064535931248777,0.4064535931248777,B,bcc,37.6962124419 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,20.0,1.0,11.344574997795803,11.344574997795803,B,bcc,41.8027786379 +29,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,12.0,1.0,26.31364659419033,-26.31364659419033,B,bcc,27.664520881399998 +30,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,62.0,1.0,5.344700051463622,5.344700051463622,B,bcc,39.5502086834 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,68.0,1.0,5.4997632751097445,5.4997632751097445,B,bcc,39.6084250232 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,24.0,1.0,2.468141842559354,2.468141842559354,B,bcc,38.470244742199995 +33,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,22.0,1.0,4.490975174984404,-4.490975174984404,B,bcc,35.8575406369 +34,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,20.0,1.0,11.39187151643726,11.39187151643726,B,bcc,41.8205354608 +35,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,46.0,1.0,5.261259046802669,5.261259046802669,B,bcc,39.5188819138 +36,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,46.0,1.0,5.115108294674827,5.115108294674827,B,bcc,39.464011638 +37,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,16.0,1.0,4.886887917544176,4.886887917544176,B,bcc,39.3783294581 +38,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,36.0,1.0,5.144132017296733,5.144132017296733,B,bcc,39.4749081927 +39,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.2644657193440235,-0.2644657193440235,B,bcc,37.4443250778 +40,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,34.0,1.0,5.390846496785804,5.390846496785804,B,bcc,39.5675337272 +41,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,10.0,1.0,60.84125175692362,-60.84125175692362,B,bcc,14.701609706400001 +42,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,56.0,1.0,5.101320413858272,5.101320413858272,B,bcc,39.4588351691 +43,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,66.0,1.0,5.901534301743505,5.901534301743505,B,bcc,39.7592643909 +44,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,64.0,1.0,6.676064817150715,6.676064817150715,B,bcc,40.0500511462 +45,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,42.0,1.0,5.379873401647315,5.379873401647315,B,bcc,39.5634140306 +46,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,50.0,1.0,5.41090799775224,5.41090799775224,B,bcc,39.575065539899995 +47,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,8.0,1.0,34.611793716180586,34.611793716180586,B,bcc,50.5381336709 +48,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,48.0,1.0,4.824761159220984,4.824761159220984,B,bcc,39.355004827100004 +49,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,36.0,1.0,5.275368496279488,5.275368496279488,B,bcc,39.5241791112 +50,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,70.0,1.0,6.675443562112893,6.675443562112893,B,bcc,40.0498179046 +51,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,50.0,1.0,5.551815667410937,5.551815667410937,B,bcc,39.627967373000004 +52,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,10.0,1.0,60.65526547224961,-60.65526547224961,B,bcc,14.771435681199998 +53,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,58.0,1.0,6.391303997761852,6.391303997761852,B,bcc,39.9431416403 +54,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,24.0,1.0,2.7833116142531136,2.7833116142531136,B,bcc,38.5885708681 +55,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,26.0,1.0,6.977312574168121,6.977312574168121,B,bcc,40.1631504445 +56,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,30.0,1.0,5.017706715385391,5.017706715385391,B,bcc,39.427443564 +57,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,60.0,1.0,5.771483244567299,5.771483244567299,B,bcc,39.7104385226 +58,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,28.0,1.0,1.8431002072084868,1.8431002072084868,B,bcc,38.2355815166 +59,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,48.0,1.0,5.048964634949842,5.048964634949842,B,bcc,39.439178917 +60,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,52.0,1.0,5.703157690268536,5.703157690268536,B,bcc,39.6847866395 +61,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,18.0,1.0,0.4805697509549551,0.4805697509549551,B,bcc,37.7240383269 +62,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,30.0,1.0,5.0225625908694855,5.0225625908694855,B,bcc,39.4292666352 +63,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,18.0,1.0,0.5477075578852751,0.5477075578852751,B,bcc,37.7492442867 +64,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,12.0,1.0,26.23304798522841,-26.23304798522841,B,bcc,27.6947805129 +65,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,32.0,1.0,9.216253166982117,9.216253166982117,B,bcc,41.0037296823 +66,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,37.543615069461204,0.166701025056767,40.0,1.0,4.804239807492476,4.804239807492476,B,bcc,39.3473003698 +0,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,44.0,1.0,0.15378975633151054,-0.15378975633151054,E0,bcc,-0.6896189812000001 +1,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,38.0,1.0,0.2126044472308715,-0.2126044472308715,E0,bcc,-0.6892127592 +2,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,38.0,1.0,0.21127759769588586,-0.21127759769588586,E0,bcc,-0.6892219234999999 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,28.0,1.0,0.07629640383107593,-0.07629640383107593,E0,bcc,-0.6901542131999999 +4,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,6.0,1.0,7.6753223602525935,-7.6753223602525935,E0,bcc,-0.6376691712 +5,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,0.043293043202814026,-0.043293043202814026,E0,bcc,-0.6903821612000001 +6,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,0.03578994312666641,-0.03578994312666641,E0,bcc,-0.6904339837000001 +7,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,42.0,1.0,0.1710121020058428,-0.1710121020058428,E0,bcc,-0.6895000297 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,14.0,1.0,0.19623392728838415,-0.19623392728838415,E0,bcc,-0.6893258273 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,60.0,1.0,0.15503632280429808,-0.15503632280429808,E0,bcc,-0.6896103714 +10,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,14.0,1.0,0.19857898902070534,-0.19857898902070534,E0,bcc,-0.6893096304 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,22.0,1.0,0.0819585095293415,0.0819585095293415,E0,bcc,-0.6912472501000001 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,34.0,1.0,0.16275355930792054,-0.16275355930792054,E0,bcc,-0.6895570699 +13,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,54.0,1.0,0.1647667457738238,-0.1647667457738238,E0,bcc,-0.6895431651999999 +14,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,54.0,1.0,0.16655516862238276,-0.16655516862238276,E0,bcc,-0.6895308129000001 +15,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,62.0,1.0,0.13731952323311947,-0.13731952323311947,E0,bcc,-0.689732738 +16,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,0.1356677191356893,-0.1356677191356893,E0,bcc,-0.6897441467000001 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,8.0,1.0,1.7988548544195517,-1.7988548544195517,E0,bcc,-0.6782568262 +18,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,52.0,1.0,0.15137031874875798,-0.15137031874875798,E0,bcc,-0.6896356918000001 +19,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,64.0,1.0,0.16126979222046026,-0.16126979222046026,E0,bcc,-0.6895673179999999 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,56.0,1.0,0.13180764579863666,-0.13180764579863666,E0,bcc,-0.6897708075 +21,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,40.0,1.0,0.13438961857643322,-0.13438961857643322,E0,bcc,-0.6897529743 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,26.0,1.0,0.2721335053601992,-0.2721335053601992,E0,bcc,-0.6888016032000001 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,16.0,1.0,0.03028500087465057,-0.03028500087465057,E0,bcc,-0.6904720053000001 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,44.0,1.0,0.1523399412333919,-0.1523399412333919,E0,bcc,-0.6896289948000001 +25,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,32.0,1.0,0.2705630557310679,-0.2705630557310679,E0,bcc,-0.68881245 +26,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,0.043293043202814026,-0.043293043202814026,E0,bcc,-0.6903821612000001 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,12.0,1.0,0.11160396773668717,0.11160396773668717,E0,bcc,-0.6914520057 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,20.0,1.0,0.4672360277288109,-0.4672360277288109,E0,bcc,-0.6874540668000001 +29,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,62.0,1.0,0.13444268213334426,-0.13444268213334426,E0,bcc,-0.6897526078 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,0.1368497695894889,-0.1368497695894889,E0,bcc,-0.6897359825 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,22.0,1.0,0.08193150720091223,0.08193150720091223,E0,bcc,-0.6912470636 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,24.0,1.0,0.2338947045395048,-0.2338947045395048,E0,bcc,-0.6890657114000001 +33,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,20.0,1.0,0.468000432517514,-0.468000432517514,E0,bcc,-0.6874487872 +34,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,46.0,1.0,0.1426101263592159,-0.1426101263592159,E0,bcc,-0.6896961968 +35,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,46.0,1.0,0.13992815085628604,-0.13992815085628604,E0,bcc,-0.6897147207000001 +36,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,16.0,1.0,0.028340833228899805,-0.028340833228899805,E0,bcc,-0.6904854333 +37,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,36.0,1.0,0.18713449009612912,-0.18713449009612912,E0,bcc,-0.6893886754 +38,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,0.03578994312666641,-0.03578994312666641,E0,bcc,-0.6904339837000001 +39,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,34.0,1.0,0.15933806157205407,-0.15933806157205407,E0,bcc,-0.6895806601000001 +40,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,10.0,1.0,3.8369249430020496,3.8369249430020496,E0,bcc,-0.7171820965000001 +41,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,56.0,1.0,0.1333255530954217,-0.1333255530954217,E0,bcc,-0.6897603236000001 +42,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,66.0,1.0,0.1509100050612364,-0.1509100050612364,E0,bcc,-0.6896388711 +43,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,64.0,1.0,0.16155385961106394,-0.16155385961106394,E0,bcc,-0.6895653559999999 +44,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,42.0,1.0,0.17282415370159712,-0.17282415370159712,E0,bcc,-0.6894875142 +45,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,50.0,1.0,0.14316300084328434,-0.14316300084328434,E0,bcc,-0.6896923782000001 +46,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,8.0,1.0,1.7988512492829505,-1.7988512492829505,E0,bcc,-0.6782568511 +47,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,48.0,1.0,0.14871732912331853,-0.14871732912331853,E0,bcc,-0.6896540154999999 +48,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,36.0,1.0,0.1905053073035703,-0.1905053073035703,E0,bcc,-0.6893653938000001 +49,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,70.0,1.0,0.16100030463933845,-0.16100030463933845,E0,bcc,-0.6895691793000001 +50,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,50.0,1.0,0.14599807158518144,-0.14599807158518144,E0,bcc,-0.6896727968999999 +51,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,6.0,1.0,7.672354391723847,-7.672354391723847,E0,bcc,-0.6376896704 +52,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,10.0,1.0,3.8237432604997936,3.8237432604997936,E0,bcc,-0.7170910531 +53,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,26.0,1.0,0.2747940382634715,-0.2747940382634715,E0,bcc,-0.6887832274 +54,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,58.0,1.0,0.15771108803400902,-0.15771108803400902,E0,bcc,-0.6895918973 +55,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,24.0,1.0,0.24130349192542805,-0.24130349192542805,E0,bcc,-0.6890145403 +56,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,30.0,1.0,0.231364086860294,-0.231364086860294,E0,bcc,-0.6890831899000001 +57,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,60.0,1.0,0.15420663463822926,-0.15420663463822926,E0,bcc,-0.6896161019 +58,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,28.0,1.0,0.07639006499059828,-0.07639006499059828,E0,bcc,-0.6901535662999999 +59,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,48.0,1.0,0.15351528816007592,-0.15351528816007592,E0,bcc,-0.6896208769000001 +60,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,52.0,1.0,0.15135004890436726,-0.15135004890436726,E0,bcc,-0.6896358318000001 +61,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,18.0,1.0,0.41087534897537137,-0.41087534897537137,E0,bcc,-0.6878433394 +62,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,18.0,1.0,0.4092501273310039,-0.4092501273310039,E0,bcc,-0.6878545645 +63,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,30.0,1.0,0.23150756840163064,-0.23150756840163064,E0,bcc,-0.6890821989 +64,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,12.0,1.0,0.1085307118448336,0.1085307118448336,E0,bcc,-0.6914307793000001 +65,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,32.0,1.0,0.2741498770873533,-0.2741498770873533,E0,bcc,-0.6887876765000001 +66,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-0.690681178100829,0.000128905082313758,40.0,1.0,0.13568548420645418,-0.13568548420645418,E0,bcc,-0.689744024 +0,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,38.0,1.0,7.066710756285177,-7.066710756285177,dB,bcc,4.9888298859 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,38.0,1.0,6.985301017567407,-6.985301017567407,dB,bcc,4.9932001104 +2,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,6.0,1.0,96.39809340511852,-96.39809340511852,dB,bcc,0.1933569705 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,28.0,1.0,1.8493771947598316,-1.8493771947598316,dB,bcc,5.2689059469999995 +4,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,6.0,1.0,96.60232976831549,-96.60232976831549,dB,bcc,0.1823931869 +5,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,68.0,1.0,0.15233006562995058,0.15233006562995058,dB,bcc,5.3763612742 +6,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,68.0,1.0,1.1102434568908,1.1102434568908,dB,bcc,5.4277838268 +7,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,42.0,1.0,4.552870507726748,-4.552870507726748,dB,bcc,5.1237774538 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,14.0,1.0,7.621808883151673,7.621808883151673,dB,bcc,5.7773366347 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,60.0,1.0,5.216628762972415,-5.216628762972415,dB,bcc,5.0881456899 +10,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,14.0,1.0,7.56583245896512,7.56583245896512,dB,bcc,5.7743317173 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,22.0,1.0,3.386316870343627,3.386316870343627,dB,bcc,5.5499676337 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,34.0,1.0,4.585107627897027,-4.585107627897027,dB,bcc,5.1220469059 +13,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,54.0,1.0,5.545968142476886,-5.545968142476886,dB,bcc,5.0704661463 +14,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,54.0,1.0,5.60010417889835,-5.60010417889835,dB,bcc,5.0675600243 +15,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,62.0,1.0,5.135168919786512,-5.135168919786512,dB,bcc,5.0925186041 +16,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,68.0,1.0,5.148410787261773,-5.148410787261773,dB,bcc,5.0918077563 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,8.0,1.0,18.221277079956923,-18.221277079956923,dB,bcc,4.3900322506 +18,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,52.0,1.0,5.036254013312144,-5.036254013312144,dB,bcc,5.0978285382 +19,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,44.0,1.0,5.358994524269348,-5.358994524269348,dB,bcc,5.080503234 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,64.0,1.0,6.08880972084584,-6.08880972084584,dB,bcc,5.041325412 +21,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,56.0,1.0,4.712674225968287,-4.712674225968287,dB,bcc,5.1151988963 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,40.0,1.0,4.117356628818709,-4.117356628818709,dB,bcc,5.1471566398 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,26.0,1.0,4.94571429679074,-4.94571429679074,dB,bcc,5.1026888767 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,16.0,1.0,4.707559082666738,-4.707559082666738,dB,bcc,5.1154734866 +25,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,32.0,1.0,7.663032598088843,-7.663032598088843,dB,bcc,4.9568182327 +26,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,44.0,1.0,5.2506653091964415,-5.2506653091964415,dB,bcc,5.0863185455 +27,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,68.0,1.0,0.15233006562995058,0.15233006562995058,dB,bcc,5.3763612742 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,20.0,1.0,7.299615174154727,-7.299615174154727,dB,bcc,4.976327148399999 +29,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,12.0,1.0,12.594706123100858,12.594706123100858,dB,bcc,6.0442909045 +30,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,62.0,1.0,5.0396845626911775,-5.0396845626911775,dB,bcc,5.09764438 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,68.0,1.0,5.154352886209651,-5.154352886209651,dB,bcc,5.0914887735 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,24.0,1.0,1.9470271147683809,-1.9470271147683809,dB,bcc,5.2636639197 +33,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,20.0,1.0,7.346409744520639,-7.346409744520639,dB,bcc,4.9738151298 +34,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,22.0,1.0,3.3856806328276723,3.3856806328276723,dB,bcc,5.5499334793 +35,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,46.0,1.0,4.5977411984042424,-4.5977411984042424,dB,bcc,5.1213687126 +36,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,46.0,1.0,4.453091633088748,-4.453091633088748,dB,bcc,5.1291337673 +37,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,16.0,1.0,4.6233615743356715,-4.6233615743356715,dB,bcc,5.1199933637 +38,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,36.0,1.0,4.440911348094473,-4.440911348094473,dB,bcc,5.1297876274 +39,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,68.0,1.0,1.1102434568908,1.1102434568908,dB,bcc,5.4277838268 +40,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,34.0,1.0,4.436495536272377,-4.436495536272377,dB,bcc,5.1300246763 +41,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,10.0,1.0,44.69473238573124,44.69473238573124,dB,bcc,7.7674793514 +42,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,56.0,1.0,4.769458869483347,-4.769458869483347,dB,bcc,5.1121505922 +43,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,66.0,1.0,5.390130795420227,-5.390130795420227,dB,bcc,5.0788317817 +44,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,64.0,1.0,6.097644159222214,-6.097644159222214,dB,bcc,5.0408511631 +45,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,42.0,1.0,4.6071853550859405,-4.6071853550859405,dB,bcc,5.1208617329 +46,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,50.0,1.0,4.9530458917239635,-4.9530458917239635,dB,bcc,5.1022953032 +47,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,8.0,1.0,18.221141525733863,-18.221141525733863,dB,bcc,4.3900395274 +48,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,48.0,1.0,4.205069245852252,-4.205069245852252,dB,bcc,5.1424480652 +49,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,36.0,1.0,4.539190167941901,-4.539190167941901,dB,bcc,5.1245118396 +50,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,70.0,1.0,6.1269128881732335,-6.1269128881732335,dB,bcc,5.039279963899999 +51,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,50.0,1.0,5.089431459253016,-5.089431459253016,dB,bcc,5.0949738751 +52,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,10.0,1.0,44.571277455655135,44.571277455655135,dB,bcc,7.7608520637 +53,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,58.0,1.0,5.791373197628722,-5.791373197628722,dB,bcc,5.0572923516 +54,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,24.0,1.0,2.219078254002859,-2.219078254002859,dB,bcc,5.2490597142 +55,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,30.0,1.0,3.75661311476255,-3.75661311476255,dB,bcc,5.1665220151 +56,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,26.0,1.0,5.059523972380598,-5.059523972380598,dB,bcc,5.096579364 +57,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,60.0,1.0,5.14680557586539,-5.14680557586539,dB,bcc,5.091893927 +58,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,28.0,1.0,1.851073297229917,-1.851073297229917,dB,bcc,5.2688148970999995 +59,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,48.0,1.0,4.409431798838979,-4.409431798838979,dB,bcc,5.1314775075 +60,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,52.0,1.0,5.035842939467703,-5.035842939467703,dB,bcc,5.097850605400001 +61,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,18.0,1.0,0.7909126397470495,-0.7909126397470495,dB,bcc,5.325726271000001 +62,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,30.0,1.0,3.7601907045582985,-3.7601907045582985,dB,bcc,5.1663299635 +63,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,12.0,1.0,12.53247812286467,12.53247812286467,dB,bcc,6.040950391 +64,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,18.0,1.0,0.8463727925011608,-0.8463727925011608,dB,bcc,5.322749068 +65,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,32.0,1.0,7.793734794765331,-7.793734794765331,dB,bcc,4.9498018984000005 +66,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,5.368183916117442,0.0597827252478153,40.0,1.0,4.160873519009206,-4.160873519009206,dB,bcc,5.1448205731 +0,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,44.0,1.0,0.3633444266263796,-0.3633444266263796,v0,bcc,23.433536844000002 +1,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,38.0,1.0,0.4922337305167896,-0.4922337305167896,v0,bcc,23.4032233792 +2,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,38.0,1.0,0.4885704990836735,-0.4885704990836735,v0,bcc,23.4040849343 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,28.0,1.0,0.1649634606527508,-0.1649634606527508,v0,bcc,23.4801940471 +4,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,6.0,1.0,3.741502346398714,-3.741502346398714,v0,bcc,22.6390281602 +5,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.07006603350360997,-0.07006603350360997,v0,bcc,23.5025129652 +6,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.04084624737757783,-0.04084624737757783,v0,bcc,23.5093851643 +7,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,42.0,1.0,0.361365952361183,-0.361365952361183,v0,bcc,23.4340021612 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,14.0,1.0,0.08446046459081767,0.08446046459081767,v0,bcc,23.5388560396 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,60.0,1.0,0.3687113437599059,-0.3687113437599059,v0,bcc,23.4322745992 +10,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,14.0,1.0,0.07888770572551593,0.07888770572551593,v0,bcc,23.5375453829 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,22.0,1.0,0.20346444932819607,0.20346444932819607,v0,bcc,23.566844576999998 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,34.0,1.0,0.3826981767389223,-0.3826981767389223,v0,bcc,23.428985037100002 +13,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,54.0,1.0,0.3905385170752687,-0.3905385170752687,v0,bcc,23.4271410681 +14,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,54.0,1.0,0.3947086477881963,-0.3947086477881963,v0,bcc,23.4261602954 +15,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,62.0,1.0,0.336752288426425,-0.336752288426425,v0,bcc,23.4397910468 +16,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.3359247435990861,-0.3359247435990861,v0,bcc,23.439985677 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,8.0,1.0,2.9439348146951825,-2.9439348146951825,v0,bcc,22.8266080025 +18,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,52.0,1.0,0.3635684481340807,-0.3635684481340807,v0,bcc,23.4334841564 +19,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,64.0,1.0,0.40483626601809497,-0.40483626601809497,v0,bcc,23.4237783817 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,56.0,1.0,0.31674794707524706,-0.31674794707524706,v0,bcc,23.4444958662 +21,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,40.0,1.0,0.3190984895854903,-0.3190984895854903,v0,bcc,23.4439430423 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,26.0,1.0,0.5216964479746968,-0.5216964479746968,v0,bcc,23.396294045100003 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,16.0,1.0,0.4392117961098316,-0.4392117961098316,v0,bcc,23.4156936036 +24,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,32.0,1.0,0.5843955735654377,-0.5843955735654377,v0,bcc,23.381547842899998 +25,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,44.0,1.0,0.3585708992999211,-0.3585708992999211,v0,bcc,23.4346595295 +26,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.07006603350360997,-0.07006603350360997,v0,bcc,23.5025129652 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,20.0,1.0,0.8703175960773348,-0.8703175960773348,v0,bcc,23.314301865900003 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,12.0,1.0,2.2577401271153588,2.2577401271153588,v0,bcc,24.049989505 +29,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,62.0,1.0,0.3299457653649783,-0.3299457653649783,v0,bcc,23.441391872399997 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.33823083139759264,-0.33823083139759264,v0,bcc,23.4394433084 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,22.0,1.0,0.20339635499770245,0.20339635499770245,v0,bcc,23.5668285619 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,24.0,1.0,0.2707103022784799,-0.2707103022784799,v0,bcc,23.4553234561 +33,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,20.0,1.0,0.8725595765360026,-0.8725595765360026,v0,bcc,23.3137745747 +34,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,46.0,1.0,0.342513928262479,-0.342513928262479,v0,bcc,23.438435967199997 +35,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,46.0,1.0,0.33490717744600124,-0.33490717744600124,v0,bcc,23.4402249983 +36,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,16.0,1.0,0.4342393937617776,-0.4342393937617776,v0,bcc,23.4168630625 +37,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,36.0,1.0,0.3639168066042583,-0.3639168066042583,v0,bcc,23.433402226 +38,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.04084624737757783,-0.04084624737757783,v0,bcc,23.5093851643 +39,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,34.0,1.0,0.37369491665482735,-0.37369491665482735,v0,bcc,23.4311025131 +40,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,10.0,1.0,7.071448201913718,7.071448201913718,v0,bcc,25.1821251119 +41,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,56.0,1.0,0.3204368539287052,-0.3204368539287052,v0,bcc,23.4436282725 +42,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,66.0,1.0,0.3664969091248975,-0.3664969091248975,v0,bcc,23.4327954119 +43,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,64.0,1.0,0.405386948212128,-0.405386948212128,v0,bcc,23.423648866799997 +44,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,42.0,1.0,0.3656351519466495,-0.3656351519466495,v0,bcc,23.4329980885 +45,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,50.0,1.0,0.34203457863299913,-0.34203457863299913,v0,bcc,23.4385487054 +46,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,8.0,1.0,2.943919960742127,-2.943919960742127,v0,bcc,22.826611495999998 +47,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,48.0,1.0,0.3245027994783422,-0.3245027994783422,v0,bcc,23.4426720031 +48,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,36.0,1.0,0.3719095437793627,-0.3719095437793627,v0,bcc,23.4315224148 +49,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,70.0,1.0,0.4042524926947094,-0.4042524926947094,v0,bcc,23.4239156793 +50,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,50.0,1.0,0.3495744894244189,-0.3495744894244189,v0,bcc,23.4367753944 +51,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,10.0,1.0,7.028497193255467,7.028497193255467,v0,bcc,25.1720234677 +52,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,58.0,1.0,0.3924202363426334,-0.3924202363426334,v0,bcc,23.4266985067 +53,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,26.0,1.0,0.5285244910912976,-0.5285244910912976,v0,bcc,23.3946881582 +54,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,24.0,1.0,0.28934181182256663,-0.28934181182256663,v0,bcc,23.4509415129 +55,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,30.0,1.0,0.3999321714450457,-0.3999321714450457,v0,bcc,23.424931775300003 +56,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,60.0,1.0,0.36600040314774784,-0.36600040314774784,v0,bcc,23.4329121851 +57,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,6.0,1.0,3.7358195356220354,-3.7358195356220354,v0,bcc,22.6403647 +58,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,28.0,1.0,0.16514769048873826,-0.16514769048873826,v0,bcc,23.4801507181 +59,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,48.0,1.0,0.3369481297295397,-0.3369481297295397,v0,bcc,23.4397449869 +60,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,52.0,1.0,0.3635681471007737,-0.3635681471007737,v0,bcc,23.433484227199997 +61,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,18.0,1.0,0.21881707229208094,-0.21881707229208094,v0,bcc,23.4675282206 +62,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,30.0,1.0,0.4002449646151863,-0.4002449646151863,v0,bcc,23.424858209499998 +63,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,18.0,1.0,0.2229474814893768,-0.2229474814893768,v0,bcc,23.46655679 +64,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,12.0,1.0,2.24959733886529,2.24959733886529,v0,bcc,24.0480744033 +65,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,32.0,1.0,0.5931100402326717,-0.5931100402326717,v0,bcc,23.3794982882 +66,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,23.5189917898672,0.0125662772105216,40.0,1.0,0.3224274430839808,-0.3224274430839808,v0,bcc,23.443160106 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,28.0,1.0,2.5516717397151627,-2.5516717397151627,B,fcc,43.6586072213 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,12.0,1.0,28.065630631523536,-28.065630631523536,B,fcc,32.2278938391 +2,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,4.0,1.0,17.38955972722317,17.38955972722317,B,fcc,52.592638288500005 +3,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,56.0,1.0,0.3047494915206835,-0.3047494915206835,B,fcc,44.6652688813 +4,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,42.0,1.0,0.6438373806786359,-0.6438373806786359,B,fcc,44.5133513961 +5,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,52.0,1.0,0.7903291097095602,-0.7903291097095602,B,fcc,44.4477204615 +6,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,38.0,1.0,0.2618054495879305,-0.2618054495879305,B,fcc,44.68450858600001 +7,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,58.0,1.0,0.6996167060701026,-0.6996167060701026,B,fcc,44.4883612531 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,22.0,1.0,6.5207777038541455,-6.5207777038541455,B,fcc,41.8803762203 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,10.0,1.0,16.416699949653967,16.416699949653967,B,fcc,52.1567795758 +10,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,68.0,1.0,0.17323017002420035,-0.17323017002420035,B,fcc,44.7241919075 +11,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,30.0,1.0,2.8019369417143465,2.8019369417143465,B,fcc,46.0571203904 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,34.0,1.0,1.781128338852361,-1.781128338852361,B,fcc,44.0038245512 +13,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,54.0,1.0,1.0482032863435948,-1.0482032863435948,B,fcc,44.3321881831 +14,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,36.0,1.0,0.043149582393608985,-0.043149582393608985,B,fcc,44.782470355 +15,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,24.0,1.0,0.2843739573617081,-0.2843739573617081,B,fcc,44.6743974878 +16,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,16.0,1.0,9.407950897241053,-9.407950897241053,B,fcc,40.5868705986 +17,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,18.0,1.0,5.150556636170509,-5.150556636170509,B,fcc,42.494259952 +18,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,26.0,1.0,2.404282944091499,-2.404282944091499,B,fcc,43.7246400579 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,70.0,1.0,0.35484021471771937,-0.35484021471771937,B,fcc,44.6428273346 +20,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,60.0,1.0,0.4886017815076866,-0.4886017815076866,B,fcc,44.5828997421 +21,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,8.0,1.0,1.7320100601060298,1.7320100601060298,B,fcc,45.5777738658 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,46.0,1.0,0.22386652292155407,0.22386652292155407,B,fcc,44.9020983822 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,14.0,1.0,3.4704536630442253,3.4704536630442253,B,fcc,46.3566279292 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,32.0,1.0,0.978171965509492,-0.978171965509492,B,fcc,44.3635634769 +25,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,44.0,1.0,1.6847701808484283,-1.6847701808484283,B,fcc,44.0469947425 +26,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,48.0,1.0,2.723327465639264,-2.723327465639264,B,fcc,43.58170236260001 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,66.0,1.0,0.5007996658299417,-0.5007996658299417,B,fcc,44.5774348701 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,40.0,1.0,0.6064721154475149,-0.6064721154475149,B,fcc,44.5300917083 +29,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,50.0,1.0,0.4882479506517576,-0.4882479506517576,B,fcc,44.5830582647 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,64.0,1.0,1.2269111607276009,-1.2269111607276009,B,fcc,44.252123834799995 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,20.0,1.0,4.846880680191619,4.846880680191619,B,fcc,46.973292038100006 +32,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,44.80180214553061,0.10261829098472802,62.0,1.0,0.07075356336430323,0.07075356336430323,B,fcc,44.833501016999996 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,28.0,1.0,0.024398244871324,0.024398244871324,E0,fcc,-0.7394211622 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,12.0,1.0,0.4265527794037395,0.4265527794037395,E0,fcc,-0.7423940526 +2,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,4.0,1.0,3.1114504375675445,-3.1114504375675445,E0,fcc,-0.7162396893 +3,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,56.0,1.0,0.007014234150175243,0.007014234150175243,E0,fcc,-0.7392926525 +4,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,42.0,1.0,0.008882596934290799,0.008882596934290799,E0,fcc,-0.7393064642 +5,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,52.0,1.0,0.016819658845192254,0.016819658845192254,E0,fcc,-0.7393651381999999 +6,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,38.0,1.0,0.0020066965076203027,-0.0020066965076203027,E0,fcc,-0.7392259661 +7,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,58.0,1.0,0.014129371730538671,0.014129371730538671,E0,fcc,-0.7393452505 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,22.0,1.0,0.07168009130102954,0.07168009130102954,E0,fcc,-0.7397706889 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,10.0,1.0,0.027457329270778732,0.027457329270778732,E0,fcc,-0.7394437762 +10,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,68.0,1.0,0.002515578234396007,0.002515578234396007,E0,fcc,-0.7392593966000001 +11,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,30.0,1.0,0.035073431982903185,-0.035073431982903185,E0,fcc,-0.7389815233 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,34.0,1.0,0.02246453125705691,0.02246453125705691,E0,fcc,-0.7394068674000001 +13,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,54.0,1.0,0.022944902470038924,0.022944902470038924,E0,fcc,-0.7394104184999999 +14,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,36.0,1.0,0.015904990715919564,0.015904990715919564,E0,fcc,-0.7393583765999999 +15,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,24.0,1.0,0.0006169952568310694,0.0006169952568310694,E0,fcc,-0.7392453615000001 +16,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,16.0,1.0,0.12756066496061896,0.12756066496061896,E0,fcc,-0.7401837809 +17,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,18.0,1.0,0.004419225684839838,-0.004419225684839838,E0,fcc,-0.7392081317 +18,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,26.0,1.0,0.04405305828498197,0.04405305828498197,E0,fcc,-0.7395664586 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,70.0,1.0,0.008647977849552884,0.008647977849552884,E0,fcc,-0.7393047298000001 +20,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,60.0,1.0,0.008293911894510023,0.008293911894510023,E0,fcc,-0.7393021124 +21,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,8.0,1.0,1.3164239277857803,1.3164239277857803,E0,fcc,-0.7489723432000001 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,46.0,1.0,0.00217280765156029,0.00217280765156029,E0,fcc,-0.7392568626999999 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,14.0,1.0,0.09616422419756053,0.09616422419756053,E0,fcc,-0.7399516856 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,32.0,1.0,0.011600060579239551,0.011600060579239551,E0,fcc,-0.7393265528 +25,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,44.0,1.0,0.029330521333789064,0.029330521333789064,E0,fcc,-0.7394576236 +26,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,48.0,1.0,0.06028523864244675,0.06028523864244675,E0,fcc,-0.7396864535000001 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,66.0,1.0,0.00816104585147748,0.00816104585147748,E0,fcc,-0.7393011302 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,40.0,1.0,0.018456513844689097,0.018456513844689097,E0,fcc,-0.7393772384999999 +29,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,50.0,1.0,0.007367231441261373,0.007367231441261373,E0,fcc,-0.7392952620000001 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,64.0,1.0,0.027740308781489482,0.027740308781489482,E0,fcc,-0.7394458681 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,20.0,1.0,0.011945176629156812,-0.011945176629156812,E0,fcc,-0.7391524968000001 +32,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-0.7392408004193249,3.6148462371848796e-05,62.0,1.0,0.0008506185428803978,-0.0008506185428803978,E0,fcc,-0.7392345123 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,28.0,1.0,2.0207363004905723,2.0207363004905723,dB,fcc,5.0684683584 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,12.0,1.0,21.472618650066984,21.472618650066984,dB,fcc,6.0348527796 +2,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,4.0,1.0,6.527980812554146,-6.527980812554146,dB,fcc,4.6437615413 +3,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,56.0,1.0,0.22478825990704415,0.22478825990704415,dB,fcc,4.9792442835 +4,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,42.0,1.0,0.4497778208851757,0.4497778208851757,dB,fcc,4.9904219373 +5,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,52.0,1.0,0.7448807448219635,0.7448807448219635,dB,fcc,5.0050828767 +6,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,38.0,1.0,0.28699975970496777,-0.28699975970496777,dB,fcc,4.9538182625000005 +7,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,58.0,1.0,0.6073153969355287,0.6073153969355287,dB,fcc,4.9982485248 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,22.0,1.0,5.171302057454676,5.171302057454676,dB,fcc,5.2249908795 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,10.0,1.0,31.617785584279076,-31.617785584279076,dB,fcc,3.3972808138 +10,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,68.0,1.0,0.1529156628121117,0.1529156628121117,dB,fcc,4.975673597799999 +11,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,30.0,1.0,3.409194354047513,-3.409194354047513,dB,fcc,4.7987052425000005 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,34.0,1.0,1.7806596413103142,1.7806596413103142,dB,fcc,5.056541166000001 +13,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,54.0,1.0,0.8692555353007579,0.8692555353007579,dB,fcc,5.0112619116 +14,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,36.0,1.0,0.4786111519603776,-0.4786111519603776,dB,fcc,4.9442988617 +15,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,24.0,1.0,0.1576515700353858,0.1576515700353858,dB,fcc,4.9759088813000005 +16,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,16.0,1.0,4.121815950899954,4.121815950899954,dB,fcc,5.1728516055 +17,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,18.0,1.0,5.520050915184876,5.520050915184876,dB,fcc,5.24231699 +18,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,26.0,1.0,2.2625171081028848,2.2625171081028848,dB,fcc,5.0804802142000005 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,70.0,1.0,0.2435641578929008,0.2435641578929008,dB,fcc,4.9801770845 +20,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,60.0,1.0,0.5067960718238625,0.5067960718238625,dB,fcc,4.9932546477 +21,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,8.0,1.0,2.072349928332014,-2.072349928332014,dB,fcc,4.865120698 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,46.0,1.0,0.4741908195795914,-0.4741908195795914,dB,fcc,4.9445184672 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,14.0,1.0,2.8936374392688937,-2.8936374392688937,dB,fcc,4.8243185051 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,32.0,1.0,0.03548799746182065,0.03548799746182065,dB,fcc,4.9698397014 +25,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,44.0,1.0,1.7076588893142233,1.7076588893142233,dB,fcc,5.0529144327 +26,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,48.0,1.0,2.461531618855732,2.461531618855732,dB,fcc,5.0903674076 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,66.0,1.0,0.5614582882505059,0.5614582882505059,dB,fcc,4.9959703085000005 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,40.0,1.0,0.3532014240850209,0.3532014240850209,dB,fcc,4.985623947900001 +29,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,50.0,1.0,0.4750549913759174,0.4750549913759174,dB,fcc,4.9916777265 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,20.0,1.0,5.735483666709904,-5.735483666709904,dB,fcc,4.6831334068 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,4.96807663049147,0.0108760929690411,64.0,1.0,1.1190775936769417,1.1190775936769417,dB,fcc,5.0236732629 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+29,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,22.897433945219397,0.00257758972604232,50.0,1.0,0.0249916776451528,0.0249916776451528,v0,fcc,22.9031563981 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,22.897433945219397,0.00257758972604232,64.0,1.0,0.07478178306603282,0.07478178306603282,v0,fcc,22.9145570546 +31,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,22.897433945219397,0.00257758972604232,20.0,1.0,0.2442765270257405,-0.2442765270257405,v0,fcc,22.841500888800002 +32,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,22.897433945219397,0.00257758972604232,62.0,1.0,0.0025015341053908715,-0.0025015341053908715,v0,fcc,22.8968611581 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,30.0,1.0,13.938892832548767,13.938892832548767,B,hcp,49.519186022 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,12.0,1.0,13.855599798311873,13.855599798311873,B,hcp,49.4829858874 +2,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.1952150462247497,0.1952150462247497,B,hcp,43.5460216353 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,48.0,1.0,0.3660667454245953,0.3660667454245953,B,hcp,43.6202757979 +4,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.19602635509654748,0.19602635509654748,B,hcp,43.5463742397 +5,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,32.0,1.0,0.18656873552154374,-0.18656873552154374,B,hcp,43.380093903 +6,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,8.0,1.0,3.552884065975593,3.552884065975593,B,hcp,45.005304173999995 +7,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,46.0,1.0,0.29876858081613283,0.29876858081613283,B,hcp,43.59102722220001 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,18.0,1.0,11.722402596806425,11.722402596806425,B,hcp,48.5558732359 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,28.0,1.0,13.537198880337654,13.537198880337654,B,hcp,49.3446050949 +10,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,16.0,1.0,14.291910970509855,14.291910970509855,B,hcp,49.672611866400004 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,16.0,1.0,14.028340852842751,14.028340852842751,B,hcp,49.5580611861 +12,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.1952150462247497,0.1952150462247497,B,hcp,43.5460216353 +13,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,32.0,1.0,14.209853695895463,14.209853695895463,B,hcp,49.6369488075 +14,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,22.0,1.0,13.719847572469444,13.719847572469444,B,hcp,49.4239863697 +15,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,12.0,1.0,13.748320252963504,13.748320252963504,B,hcp,49.4363609323 +16,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,20.0,1.0,14.066679487991088,14.066679487991088,B,hcp,49.5747236089 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,6.0,1.0,8.208991178546574,8.208991178546574,B,hcp,47.028903214799996 +18,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,26.0,1.0,13.785042025159225,13.785042025159225,B,hcp,49.4523206474 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,10.0,1.0,13.836225335819199,13.836225335819199,B,hcp,49.47456551760001 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,48.0,1.0,0.3660667454245953,0.3660667454245953,B,hcp,43.6202757979 +21,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,14.0,1.0,11.788291915139096,11.788291915139096,B,hcp,48.5845095104 +22,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,10.0,1.0,14.16332503578198,14.16332503578198,B,hcp,49.6167269033 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.19602635509654748,0.19602635509654748,B,hcp,43.5463742397 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,4.0,1.0,12.363546907231731,12.363546907231731,B,hcp,48.83452211149999 +25,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,18.0,1.0,11.823130130972118,11.823130130972118,B,hcp,48.5996506097 +26,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,8.0,1.0,3.5336033844180976,3.5336033844180976,B,hcp,44.9969245625 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,14.0,1.0,11.626373097422242,11.626373097422242,B,hcp,48.5141376834 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,26.0,1.0,13.981960425707907,13.981960425707907,B,hcp,49.537903705699996 +29,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,4.0,1.0,12.471178394713199,12.471178394713199,B,hcp,48.8813000248 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,6.0,1.0,7.955810122144946,7.955810122144946,B,hcp,46.918867743 +31,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,32.0,1.0,0.18656873552154374,-0.18656873552154374,B,hcp,43.380093903 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,46.0,1.0,0.29876858081613283,0.29876858081613283,B,hcp,43.59102722220001 +33,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,43.4611788748696,0.113720875517381,20.0,1.0,13.776900646596554,13.776900646596554,B,hcp,49.4487823083 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,30.0,1.0,0.2328882491938511,-0.2328882491938511,E0,hcp,-1.4883268516 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,12.0,1.0,0.11076580785899028,-0.11076580785899028,E0,hcp,-1.4901486755000002 +2,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,34.0,1.0,0.0068787241318942465,0.0068787241318942465,E0,hcp,-1.4919036979 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,48.0,1.0,0.0002531918690796599,-0.0002531918690796599,E0,hcp,-1.4917973038999999 +4,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,34.0,1.0,0.006786674325964743,0.006786674325964743,E0,hcp,-1.4919023247 +5,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,8.0,1.0,0.6730075106382124,-0.6730075106382124,E0,hcp,-1.4817611477000001 +6,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,32.0,1.0,0.014425309230439737,-0.014425309230439737,E0,hcp,-1.4915858841 +7,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,46.0,1.0,0.003761226597438047,-0.003761226597438047,E0,hcp,-1.491744971 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,18.0,1.0,0.11490694978376065,-0.11490694978376065,E0,hcp,-1.4900868979 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,28.0,1.0,0.22526872796905265,-0.22526872796905265,E0,hcp,-1.4884405197 +10,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,16.0,1.0,0.13337834677536733,-0.13337834677536733,E0,hcp,-1.4898113413999998 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,16.0,1.0,0.12896909269739115,-0.12896909269739115,E0,hcp,-1.4898771187 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,32.0,1.0,0.23898663597995615,-0.23898663597995615,E0,hcp,-1.4882358758 +13,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,34.0,1.0,0.0068787241318942465,0.0068787241318942465,E0,hcp,-1.4919036979 +14,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,22.0,1.0,0.2628196593316616,-0.2628196593316616,E0,hcp,-1.4878803344999998 +15,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,12.0,1.0,0.10927378588079392,-0.10927378588079392,E0,hcp,-1.4901709335 +16,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,20.0,1.0,0.2702755059197237,-0.2702755059197237,E0,hcp,-1.4877691081 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,6.0,1.0,3.2010305010920237,-3.2010305010920237,E0,hcp,-1.4440480734 +18,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,26.0,1.0,0.21913946575282334,-0.21913946575282334,E0,hcp,-1.4885319561 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,10.0,1.0,0.5683489634669254,0.5683489634669254,E0,hcp,-1.5002797170000002 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,48.0,1.0,0.0002531918690796599,-0.0002531918690796599,E0,hcp,-1.4917973038999999 +21,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,14.0,1.0,0.7150574131340085,-0.7150574131340085,E0,hcp,-1.4811338468000002 +22,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,10.0,1.0,0.5624117710940962,0.5624117710940962,E0,hcp,-1.5001911459 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,34.0,1.0,0.006786674325964743,0.006786674325964743,E0,hcp,-1.4919023247 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,4.0,1.0,8.39684411512778,8.39684411512778,E0,hcp,-1.6170652923 +25,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,18.0,1.0,0.11675746459777996,-0.11675746459777996,E0,hcp,-1.4900592919 +26,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,8.0,1.0,0.6720270515015246,-0.6720270515015246,E0,hcp,-1.4817757742 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,14.0,1.0,0.7125252457773538,-0.7125252457773538,E0,hcp,-1.4811716217 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,26.0,1.0,0.22199548996021756,-0.22199548996021756,E0,hcp,-1.4884893499 +29,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,4.0,1.0,8.393325080273339,8.393325080273339,E0,hcp,-1.6170127953 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,6.0,1.0,3.1967662998651165,-3.1967662998651165,E0,hcp,-1.4441116868000001 +31,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,32.0,1.0,0.014425309230439737,-0.014425309230439737,E0,hcp,-1.4915858841 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,46.0,1.0,0.003761226597438047,-0.003761226597438047,E0,hcp,-1.491744971 +33,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,-1.49180108101904,4.49498234145314e-05,20.0,1.0,0.2642376969151485,-0.2642376969151485,E0,hcp,-1.4878591802 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,30.0,1.0,32.18349137418852,-32.18349137418852,dB,hcp,4.9508689988 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,12.0,1.0,32.038545686149604,-32.038545686149604,dB,hcp,4.961450598 +2,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.4274296563159545,-5.4274296563159545,dB,hcp,6.9041656101 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,48.0,1.0,6.03662156697988,-6.03662156697988,dB,hcp,6.859692230299999 +4,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.741490752357838,-5.741490752357838,dB,hcp,6.881237928099999 +5,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,32.0,1.0,5.8815146369773,-5.8815146369773,dB,hcp,6.8710156397 +6,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,8.0,1.0,25.299426564555873,-25.299426564555873,dB,hcp,5.453432515299999 +7,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,46.0,1.0,6.2756944064993645,-6.2756944064993645,dB,hcp,6.8422389828 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,18.0,1.0,30.80021809632529,-30.80021809632529,dB,hcp,5.051853330299999 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,28.0,1.0,31.940053364594498,-31.940053364594498,dB,hcp,4.9686409206999995 +10,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,16.0,1.0,32.54361093858437,-32.54361093858437,dB,hcp,4.9245788694 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,16.0,1.0,32.346853643630425,-32.346853643630425,dB,hcp,4.9389429175 +12,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.4274296563159545,-5.4274296563159545,dB,hcp,6.9041656101 +13,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,32.0,1.0,32.34168473146416,-32.34168473146416,dB,hcp,4.9393202682 +14,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,22.0,1.0,31.969254751985183,-31.969254751985183,dB,hcp,4.9665091058 +15,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,12.0,1.0,31.955029047206914,-31.955029047206914,dB,hcp,4.9675476376 +16,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,20.0,1.0,32.37814255126235,-32.37814255126235,dB,hcp,4.9366587055 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,6.0,1.0,31.514882552386137,-31.514882552386137,dB,hcp,4.9996800443 +18,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,26.0,1.0,32.10003249929028,-32.10003249929028,dB,hcp,4.9569618214 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,10.0,1.0,31.747164867541777,-31.747164867541777,dB,hcp,4.982722531499999 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,48.0,1.0,6.03662156697988,-6.03662156697988,dB,hcp,6.859692230299999 +21,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,14.0,1.0,30.441392660212173,-30.441392660212173,dB,hcp,5.0780489832999995 +22,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.741490752357838,-5.741490752357838,dB,hcp,6.881237928099999 +23,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,10.0,1.0,31.977631316470053,-31.977631316470053,dB,hcp,4.9658975839999995 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,4.0,1.0,28.06949109715639,-28.06949109715639,dB,hcp,5.2512070263 +25,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,18.0,1.0,30.87349823019261,-30.87349823019261,dB,hcp,5.0465035954 +26,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,8.0,1.0,25.29730734600416,-25.29730734600416,dB,hcp,5.4535872265 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,14.0,1.0,30.313122772387924,-30.313122772387924,dB,hcp,5.0874131842 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,26.0,1.0,32.254057512986776,-32.254057512986776,dB,hcp,4.9457173961 +29,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,4.0,1.0,28.0870167109798,-28.0870167109798,dB,hcp,5.249927588299999 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,6.0,1.0,31.328313960945806,-31.328313960945806,dB,hcp,5.0133002774 +31,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,32.0,1.0,5.8815146369773,-5.8815146369773,dB,hcp,6.8710156397 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,46.0,1.0,6.2756944064993645,-6.2756944064993645,dB,hcp,6.8422389828 +33,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,7.30038909274616,0.108126856330785,20.0,1.0,32.18016407208292,-32.18016407208292,dB,hcp,4.9511119048 +0,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,30.0,1.0,1.1626237154777277,-1.1626237154777277,v0,hcp,45.5125424401 +1,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,12.0,1.0,0.8722970737569238,-0.8722970737569238,v0,hcp,45.6462317801 +2,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06603375567166749,-0.06603375567166749,v0,hcp,46.0174991575 +3,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,48.0,1.0,0.036992610549385685,-0.036992610549385685,v0,hcp,46.0308719968 +4,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06567657765175011,-0.06567657765175011,v0,hcp,46.0176636305 +5,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,8.0,1.0,2.1445936158312677,-2.1445936158312677,v0,hcp,45.060365860299996 +6,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,32.0,1.0,0.04027061604549586,-0.04027061604549586,v0,hcp,46.02936254390001 +7,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,46.0,1.0,0.043892539240949775,-0.043892539240949775,v0,hcp,46.0276947241 +8,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,18.0,1.0,0.9939601074926054,-0.9939601074926054,v0,hcp,45.590208500299994 +9,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,28.0,1.0,1.1771369397134486,-1.1771369397134486,v0,hcp,45.5058594042 +10,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,16.0,1.0,1.4606226573797596,-1.4606226573797596,v0,hcp,45.375320166499996 +11,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,16.0,1.0,1.4487232242937196,-1.4487232242937196,v0,hcp,45.3807996063 +12,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,32.0,1.0,1.2007318910769804,-1.2007318910769804,v0,hcp,45.4949944231 +13,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06603375567166749,-0.06603375567166749,v0,hcp,46.0174991575 +14,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,22.0,1.0,1.3068138570215593,-1.3068138570215593,v0,hcp,45.44614589880001 +15,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,12.0,1.0,0.8677753205081487,-0.8677753205081487,v0,hcp,45.648313952799995 +16,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,20.0,1.0,1.288725812492015,-1.288725812492015,v0,hcp,45.4544750646 +17,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,6.0,1.0,0.2766420042361117,-0.2766420042361117,v0,hcp,45.920518468500006 +18,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,26.0,1.0,1.1926380112507482,-1.1926380112507482,v0,hcp,45.498721485299995 +19,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,10.0,1.0,1.5778225153398613,-1.5778225153398613,v0,hcp,45.3213520857 +20,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,48.0,1.0,0.036992610549385685,-0.036992610549385685,v0,hcp,46.0308719968 +21,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,14.0,1.0,1.935212823725024,-1.935212823725024,v0,hcp,45.1567813313 +22,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,10.0,1.0,1.5932268615239982,-1.5932268615239982,v0,hcp,45.314258706800004 +23,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06567657765175011,-0.06567657765175011,v0,hcp,46.0176636305 +24,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,4.0,1.0,1.807310413371316,-1.807310413371316,v0,hcp,45.2156777134 +25,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,18.0,1.0,0.9989817924829232,-0.9989817924829232,v0,hcp,45.587896119499995 +26,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,8.0,1.0,2.143011184276306,-2.143011184276306,v0,hcp,45.061094536899994 +27,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,14.0,1.0,1.9280163147740852,-1.9280163147740852,v0,hcp,45.160095173 +28,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,26.0,1.0,1.2007294668625474,-1.2007294668625474,v0,hcp,45.494995539399994 +29,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,4.0,1.0,1.8148099760572711,-1.8148099760572711,v0,hcp,45.2122243218 +30,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,6.0,1.0,0.2642702497844133,-0.2642702497844133,v0,hcp,45.9262154024 +31,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,32.0,1.0,0.04027061604549586,-0.04027061604549586,v0,hcp,46.02936254390001 +32,TetraBloechl,allKp_with_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,46.0,1.0,0.043892539240949775,-0.043892539240949775,v0,hcp,46.0276947241 +33,TetraBloechl,allKp_without_spin,VASP,Cd,LDA,46.0479063194509,0.00865071102982535,20.0,1.0,1.27412995279456,-1.27412995279456,v0,hcp,45.4611961524 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,8.06913725448799,0.113372054484595,64.0,1.0,1.5897126008194236,1.5897126008194236,B,bcc,8.1974133462 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,8.06913725448799,0.113372054484595,54.0,1.0,1.9850871990424883,1.9850871990424883,B,bcc,8.229316665199999 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,8.06913725448799,0.113372054484595,48.0,1.0,8.593333986558994,8.593333986558994,B,bcc,8.762545168599999 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,8.06913725448799,0.113372054484595,54.0,1.0,1.9850871990424883,1.9850871990424883,B,bcc,8.229316665199999 +4,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,8.06913725448799,0.113372054484595,48.0,1.0,8.593333986558994,8.593333986558994,B,bcc,8.762545168599999 +5,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,8.06913725448799,0.113372054484595,64.0,1.0,1.5897126008194236,1.5897126008194236,B,bcc,8.1974133462 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.18078719077552,3.13388337444026e-06,64.0,1.0,0.006051825039777311,0.006051825039777311,E0,bcc,-0.1807981317000001 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.18078719077552,3.13388337444026e-06,54.0,1.0,0.008693715750870709,0.008693715750870709,E0,bcc,-0.1808029079 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.18078719077552,3.13388337444026e-06,48.0,1.0,0.017291116890482527,0.017291116890482527,E0,bcc,-0.1808184509 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.18078719077552,3.13388337444026e-06,54.0,1.0,0.008693715750870709,0.008693715750870709,E0,bcc,-0.1808029079 +4,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.18078719077552,3.13388337444026e-06,48.0,1.0,0.017291116890482527,0.017291116890482527,E0,bcc,-0.1808184509 +5,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.18078719077552,3.13388337444026e-06,64.0,1.0,0.006051825039777311,0.006051825039777311,E0,bcc,-0.1807981317000001 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,11.6461784085936,0.93730583830448,64.0,1.0,7.695958099287242,-7.695958099287242,dB,bcc,10.7498933981 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,11.6461784085936,0.93730583830448,54.0,1.0,6.706908890535598,-6.706908890535598,dB,bcc,10.8650798335 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,11.6461784085936,0.93730583830448,48.0,1.0,25.514239440991286,-25.514239440991286,dB,bcc,8.674744563700001 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,11.6461784085936,0.93730583830448,54.0,1.0,6.706908890535598,-6.706908890535598,dB,bcc,10.8650798335 +4,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,11.6461784085936,0.93730583830448,48.0,1.0,25.514239440991286,-25.514239440991286,dB,bcc,8.674744563700001 +5,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,11.6461784085936,0.93730583830448,64.0,1.0,7.695958099287242,-7.695958099287242,dB,bcc,10.7498933981 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,29.7646251360017,0.0040901113354275785,64.0,1.0,0.014077018549891625,-0.014077018549891625,v0,bcc,29.7604351642 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,29.7646251360017,0.0040901113354275785,54.0,1.0,0.013837869561204677,-0.013837869561204677,v0,bcc,29.760506346 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,29.7646251360017,0.0040901113354275785,48.0,1.0,0.06102258744638155,-0.06102258744638155,v0,bcc,29.746461991599997 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,29.7646251360017,0.0040901113354275785,54.0,1.0,0.013837869561204677,-0.013837869561204677,v0,bcc,29.760506346 +4,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,29.7646251360017,0.0040901113354275785,48.0,1.0,0.06102258744638155,-0.06102258744638155,v0,bcc,29.746461991599997 +5,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,29.7646251360017,0.0040901113354275785,64.0,1.0,0.014077018549891625,-0.014077018549891625,v0,bcc,29.7604351642 +0,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,18.11242644061869,0.00010660047111366,66.0,1.0,63.45704351595472,-63.45704351595472,B,fcc,6.6188161124 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,18.11242644061869,0.00010660047111366,64.0,1.0,63.45177671526887,-63.45177671526887,B,fcc,6.619770057799999 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,18.11242644061869,0.00010660047111366,66.0,1.0,63.45704351595472,-63.45704351595472,B,fcc,6.6188161124 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,18.11242644061869,0.00010660047111366,64.0,1.0,63.45177671526887,-63.45177671526887,B,fcc,6.619770057799999 +0,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-24.852807144664602,0.0190182513319773,66.0,1.0,99.2942939158579,-99.2942939158579,E0,fcc,-0.1753877721 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-24.852807144664602,0.0190182513319773,64.0,1.0,99.29429326160583,-99.29429326160583,E0,fcc,-0.1753879347 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-24.852807144664602,0.0190182513319773,66.0,1.0,99.2942939158579,-99.2942939158579,E0,fcc,-0.1753877721 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-24.852807144664602,0.0190182513319773,64.0,1.0,99.29429326160583,-99.29429326160583,E0,fcc,-0.1753879347 +0,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,3.68813320347922,0.00572837190625391,66.0,1.0,98.55938405618544,98.55938405618544,dB,fcc,7.323134572000001 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,3.68813320347922,0.00572837190625391,64.0,1.0,98.11747396235731,98.11747396235731,dB,fcc,7.3068363390999975 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,3.68813320347922,0.00572837190625391,66.0,1.0,98.55938405618544,98.55938405618544,dB,fcc,7.323134572000001 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,3.68813320347922,0.00572837190625391,64.0,1.0,98.11747396235731,98.11747396235731,dB,fcc,7.3068363390999975 +0,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,63.690061064099204,0.000160810339079997,66.0,2.0,48.30591188715536,-48.30591188715536,v0,fcc,32.9239962856 +1,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,63.690061064099204,0.000160810339079997,64.0,2.0,48.30568776003472,-48.30568776003472,v0,fcc,32.9241390323 +2,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,63.690061064099204,0.000160810339079997,66.0,2.0,48.30591188715536,-48.30591188715536,v0,fcc,32.9239962856 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,63.690061064099204,0.000160810339079997,64.0,2.0,48.30568776003472,-48.30568776003472,v0,fcc,32.9241390323 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,24.0,1.0,0.013587497794768585,0.013587497794768585,B,hcp,7.6623555012 +1,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,20.0,1.0,0.009683206968315016,0.009683206968315016,B,hcp,7.6620563812 +2,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.3213016196685145,0.3213016196685145,B,hcp,7.6859304479 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,10.0,1.0,0.4828534404072688,0.4828534404072688,B,hcp,7.698307441 +4,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,18.0,1.0,0.017363442500278888,0.017363442500278888,B,hcp,7.662644788200001 +5,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.13672694305644034,0.13672694305644034,B,hcp,7.671789601399999 +6,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.07752287842751335,0.07752287842751335,B,hcp,7.667253791799999 +7,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,26.0,1.0,0.0049547745038470295,-0.0049547745038470295,B,hcp,7.660934919400001 +8,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,28.0,1.0,0.01416019455435771,0.01416019455435771,B,hcp,7.6623993773 +9,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.027738353984411775,0.027738353984411775,B,hcp,7.6634396427999985 +10,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.12225289559283113,0.12225289559283113,B,hcp,7.6706806991 +11,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.18077427058853288,0.18077427058853288,B,hcp,7.675164205700001 +12,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,22.0,1.0,0.011857937121745987,-0.011857937121745987,B,hcp,7.660406046399999 +13,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,24.0,1.0,0.013587497794768585,0.013587497794768585,B,hcp,7.6623555012 +14,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,20.0,1.0,0.009683206968315016,0.009683206968315016,B,hcp,7.6620563812 +15,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.3213016196685145,0.3213016196685145,B,hcp,7.6859304479 +16,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,10.0,1.0,0.4828534404072688,0.4828534404072688,B,hcp,7.698307441 +17,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,18.0,1.0,0.017363442500278888,0.017363442500278888,B,hcp,7.662644788200001 +18,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.13672694305644034,0.13672694305644034,B,hcp,7.671789601399999 +19,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.07752287842751335,0.07752287842751335,B,hcp,7.667253791799999 +20,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,26.0,1.0,0.0049547745038470295,-0.0049547745038470295,B,hcp,7.660934919400001 +21,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,28.0,1.0,0.01416019455435771,0.01416019455435771,B,hcp,7.6623993773 +22,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.027738353984411775,0.027738353984411775,B,hcp,7.6634396427999985 +23,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.12225289559283113,0.12225289559283113,B,hcp,7.6706806991 +24,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.18077427058853288,0.18077427058853288,B,hcp,7.675164205700001 +25,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.66131452025851,0.00045069146095579103,22.0,1.0,0.011857937121745987,-0.011857937121745987,B,hcp,7.660406046399999 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,24.0,1.0,0.0032769946365881963,-0.0032769946365881963,E0,hcp,-0.37823052729999995 +1,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,20.0,1.0,0.003128280684045007,-0.003128280684045007,E0,hcp,-0.3782310898 +2,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,12.0,1.0,0.024153789771249882,-0.024153789771249882,E0,hcp,-0.37815156229999997 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,10.0,1.0,0.03655925653177916,-0.03655925653177916,E0,hcp,-0.3781046395 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+10,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,0.004520322594023131,-0.004520322594023131,E0,hcp,-0.3782258245 +11,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,0.06104032267754037,-0.06104032267754037,E0,hcp,-0.37801204159999996 +12,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,22.0,1.0,0.0010597423086350225,-0.0010597423086350225,E0,hcp,-0.3782389139 +13,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,24.0,1.0,0.0032769946365881963,-0.0032769946365881963,E0,hcp,-0.37823052729999995 +14,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,20.0,1.0,0.003128280684045007,-0.003128280684045007,E0,hcp,-0.3782310898 +15,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,12.0,1.0,0.024153789771249882,-0.024153789771249882,E0,hcp,-0.37815156229999997 +16,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,10.0,1.0,0.03655925653177916,-0.03655925653177916,E0,hcp,-0.3781046395 +17,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,18.0,1.0,0.0016005852112774806,-0.0016005852112774806,E0,hcp,-0.3782368682 +18,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,12.0,1.0,0.014361088357368696,-0.014361088357368696,E0,hcp,-0.3781886025 +19,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,16.0,1.0,0.0018620309493720733,-0.0018620309493720733,E0,hcp,-0.3782358793 +20,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,26.0,1.0,0.0020850886591604195,-0.0020850886591604195,E0,hcp,-0.3782350356000001 +21,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,28.0,1.0,0.0009856100556660864,-0.0009856100556660864,E0,hcp,-0.37823919429999997 +22,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,16.0,1.0,0.007890484796263338,-0.007890484796263338,E0,hcp,-0.3782130771 +23,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,0.004520322594023131,-0.004520322594023131,E0,hcp,-0.3782258245 +24,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,0.06104032267754037,-0.06104032267754037,E0,hcp,-0.37801204159999996 +25,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,-0.37824292230027706,2.58499505368907e-06,22.0,1.0,0.0010597423086350225,-0.0010597423086350225,E0,hcp,-0.3782389139 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,24.0,1.0,0.2106675164702794,0.2106675164702794,dB,hcp,7.7467720228 +1,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,20.0,1.0,0.1813972144573826,-0.1813972144573826,dB,hcp,7.716463512100001 +2,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.8047748044463032,-1.8047748044463032,dB,hcp,7.5909685283 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,10.0,1.0,0.9004217873821633,0.9004217873821633,dB,hcp,7.800093382899999 +4,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,18.0,1.0,0.3283791730235922,0.3283791730235922,dB,hcp,7.7558717064 +5,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.0384076350149178,-1.0384076350149178,dB,hcp,7.6502124381 +6,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.07809044063086466,-0.07809044063086466,dB,hcp,7.7244496282 +7,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,26.0,1.0,0.06898731744210845,-0.06898731744210845,dB,hcp,7.7251533439 +8,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,28.0,1.0,0.02204776672577104,0.02204776672577104,dB,hcp,7.7321907987000005 +9,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.4302832949278246,-0.4302832949278246,dB,hcp,7.6972234075 +10,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,0.7138983779147773,0.7138983779147773,dB,hcp,7.7856742161 +11,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,2.9677809823054453,-2.9677809823054453,dB,hcp,7.5010624939 +12,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,22.0,1.0,0.4671755416616749,0.4671755416616749,dB,hcp,7.7666013408 +13,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,24.0,1.0,0.2106675164702794,0.2106675164702794,dB,hcp,7.7467720228 +14,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,20.0,1.0,0.1813972144573826,-0.1813972144573826,dB,hcp,7.716463512100001 +15,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.8047748044463032,-1.8047748044463032,dB,hcp,7.5909685283 +16,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,10.0,1.0,0.9004217873821633,0.9004217873821633,dB,hcp,7.800093382899999 +17,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,18.0,1.0,0.3283791730235922,0.3283791730235922,dB,hcp,7.7558717064 +18,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.0384076350149178,-1.0384076350149178,dB,hcp,7.6502124381 +19,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.07809044063086466,-0.07809044063086466,dB,hcp,7.7244496282 +20,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,26.0,1.0,0.06898731744210845,-0.06898731744210845,dB,hcp,7.7251533439 +21,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,28.0,1.0,0.02204776672577104,0.02204776672577104,dB,hcp,7.7321907987000005 +22,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.4302832949278246,-0.4302832949278246,dB,hcp,7.6972234075 +23,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,0.7138983779147773,0.7138983779147773,dB,hcp,7.7856742161 +24,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,2.9677809823054453,-2.9677809823054453,dB,hcp,7.5010624939 +25,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,7.73048639909196,0.0059412084561941214,22.0,1.0,0.4671755416616749,0.4671755416616749,dB,hcp,7.7666013408 +0,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,63.3376520528584,0.00041623625218571296,24.0,1.0,0.002945405112338884,0.002945405112338884,v0,hcp,63.3395176033 +1,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,63.3376520528584,0.00041623625218571296,20.0,1.0,0.003858935976273536,0.003858935976273536,v0,hcp,63.3400962123 +2,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,63.3376520528584,0.00041623625218571296,12.0,1.0,0.041555372339403165,0.041555372339403165,v0,hcp,63.36397225 +3,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,63.3376520528584,0.00041623625218571296,10.0,1.0,0.04172480804867846,0.04172480804867846,v0,hcp,63.3640795666 +4,TetraBloechl,allKp_without_spin,VASP,Hg,LDA,63.3376520528584,0.00041623625218571296,18.0,1.0,0.0034976265614415146,0.0034976265614415146,v0,hcp,63.3398673674 +5,TetraBloechl,allKp_with_spin,VASP,Hg,LDA,63.3376520528584,0.00041623625218571296,12.0,1.0,0.017411969474961403,0.017411969474961403,v0,hcp,63.3486803855 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+27,TetraBloechl,allKp_without_spin,VASP,Os,LDA,-22.5001119551549,5.08948357995278e-05,38.0,1.0,0.004087547460812168,-0.004087547460812168,E0,hcp,-22.499192252399997 +28,TetraBloechl,allKp_without_spin,VASP,Os,LDA,-22.5001119551549,5.08948357995278e-05,20.0,1.0,0.004445217681110138,-0.004445217681110138,E0,hcp,-22.4991117762 +29,TetraBloechl,allKp_without_spin,VASP,Os,LDA,-22.5001119551549,5.08948357995278e-05,6.0,1.0,0.2160411266032057,-0.2160411266032057,E0,hcp,-22.4515024598 +30,TetraBloechl,allKp_without_spin,VASP,Os,LDA,-22.5001119551549,5.08948357995278e-05,42.0,1.0,0.0005058497269886877,-0.0005058497269886877,E0,hcp,-22.499998138400002 +31,TetraBloechl,allKp_without_spin,VASP,Os,LDA,-22.5001119551549,5.08948357995278e-05,8.0,1.0,0.061271415327068965,0.061271415327068965,E0,hcp,-22.513898092199998 +32,TetraBloechl,allKp_without_spin,VASP,Os,LDA,-22.5001119551549,5.08948357995278e-05,40.0,1.0,0.0001235613634067735,0.0001235613634067735,E0,hcp,-22.5001397566 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+0,TetraBloechl,allKp_without_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,16.0,1.0,0.8971833234137164,0.8971833234137164,dB,hcp,4.9744404359 +1,TetraBloechl,allKp_with_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,36.0,1.0,0.8619572863310092,0.8619572863310092,dB,hcp,4.9727037192 +2,TetraBloechl,allKp_without_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,58.0,1.0,0.046624687978142135,0.046624687978142135,dB,hcp,4.9325061308 +3,TetraBloechl,allKp_without_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,42.0,1.0,0.020266600921243317,-0.020266600921243317,dB,hcp,4.9292082514999995 +4,TetraBloechl,allKp_without_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,40.0,1.0,0.03633642171742175,-0.03633642171742175,dB,hcp,4.928415976 +5,TetraBloechl,allKp_with_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,50.0,1.0,0.028626185656574345,0.028626185656574345,dB,hcp,4.9316187673 +6,TetraBloechl,allKp_with_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,34.0,1.0,0.014702479427652638,0.014702479427652638,dB,hcp,4.9309322997 +7,TetraBloechl,allKp_without_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,22.0,1.0,0.01153807099260718,0.01153807099260718,dB,hcp,4.9307762878 +8,TetraBloechl,allKp_with_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,38.0,1.0,0.024384104513472477,0.024384104513472477,dB,hcp,4.9314096239000005 +9,TetraBloechl,allKp_without_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,46.0,1.0,0.0494734200405452,0.0494734200405452,dB,hcp,4.9326465792 +10,TetraBloechl,allKp_with_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,40.0,1.0,0.04165521147774296,0.04165521147774296,dB,hcp,4.932261125299999 +11,TetraBloechl,allKp_without_spin,VASP,Os,LDA,4.93020743696584,0.00225417103576941,34.0,1.0,0.0004263424228823497,-0.0004263424228823497,dB,hcp,4.9301864174 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+33,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,30.0,1.0,0.0254245534360349,0.0254245534360349,v0,hcp,28.5567934076 +34,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,50.0,1.0,0.0011699995714582318,0.0011699995714582318,v0,hcp,28.5498688453 +35,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,34.0,1.0,0.0011209518370817843,0.0011209518370817843,v0,hcp,28.5498548424 +36,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,22.0,1.0,0.0019450755978414691,0.0019450755978414691,v0,hcp,28.550090125900002 +37,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,14.0,1.0,0.03357128372428505,0.03357128372428505,v0,hcp,28.5591192612 +38,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,38.0,1.0,0.0012704691594270935,0.0012704691594270935,v0,hcp,28.549897528899997 +39,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,46.0,1.0,0.0013028843986299975,0.0013028843986299975,v0,hcp,28.5499067833 +40,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,54.0,1.0,0.025645144771078238,0.025645144771078238,v0,hcp,28.5568563854 +41,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,26.0,1.0,0.02512324765099789,0.02512324765099789,v0,hcp,28.5567073862 +42,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,40.0,1.0,0.0010838016695976307,0.0010838016695976307,v0,hcp,28.5498442362 +43,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,18.0,1.0,0.026304835730016643,0.026304835730016643,v0,hcp,28.5570447241 +44,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,14.0,1.0,0.033570513133794326,0.033570513133794326,v0,hcp,28.5591190412 +45,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,24.0,1.0,0.026759663806340168,0.026759663806340168,v0,hcp,28.5571745754 +46,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,4.0,1.0,0.12507919864654565,-0.12507919864654565,v0,hcp,28.5138252865 +47,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,10.0,1.0,0.04064219893541492,0.04064219893541492,v0,hcp,28.5611379746 +48,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,16.0,1.0,0.023519515390728087,0.023519515390728087,v0,hcp,28.5562495281 +49,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,34.0,1.0,0.0010781325754860294,0.0010781325754860294,v0,hcp,28.5498426177 +50,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,30.0,1.0,0.0013121234283261544,0.0013121234283261544,v0,hcp,28.549909421 +51,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,36.0,1.0,0.025646749000377663,0.025646749000377663,v0,hcp,28.556856843400002 +52,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,22.0,1.0,0.02530707831702985,0.02530707831702985,v0,hcp,28.556759869 +53,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,12.0,1.0,0.02549956761800777,0.02549956761800777,v0,hcp,28.5568148238 +54,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,28.0,1.0,0.0024242252613361826,0.0024242252613361826,v0,hcp,28.550226920900002 +55,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,32.0,1.0,0.0018406465758152664,0.0018406465758152664,v0,hcp,28.5500603119 +56,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,66.0,1.0,0.0010985658331104703,0.0010985658331104703,v0,hcp,28.5498484513 +57,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,28.0,1.0,0.026403191798446482,0.026403191798446482,v0,hcp,28.5570728043 +58,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,4.0,1.0,0.12508404145751675,-0.12508404145751675,v0,hcp,28.513823903899997 +59,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,6.0,1.0,0.1440704568403067,0.1440704568403067,v0,hcp,28.5906662611 +60,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,52.0,1.0,0.02570737485683536,0.02570737485683536,v0,hcp,28.5568741518 +61,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,20.0,1.0,0.00281907512745404,0.00281907512745404,v0,hcp,28.5503396487 +62,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,24.0,1.0,0.026760140521634144,0.026760140521634144,v0,hcp,28.5571747115 +63,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,50.0,1.0,0.025710950046440195,0.025710950046440195,v0,hcp,28.5568751725 +64,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,32.0,1.0,0.02597038579724821,0.02597038579724821,v0,hcp,28.5569492402 +65,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,62.0,1.0,0.0008704507327450669,0.0008704507327450669,v0,hcp,28.5497833255 +66,TetraBloechl,allKp_with_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,48.0,1.0,0.0010638083491003507,0.0010638083491003507,v0,hcp,28.549838528200002 +67,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,48.0,1.0,0.0010098918839136306,0.0010098918839136306,v0,hcp,28.549823135300002 +68,TetraBloechl,allKp_without_spin,VASP,Os,LDA,28.549534815865,0.000458606332471434,26.0,1.0,0.0013389119558792036,0.0013389119558792036,v0,hcp,28.549917069 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+12,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,26.0,1.0,0.02761515899417949,-0.02761515899417949,B,hcp,371.9851137282 +13,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,24.0,1.0,0.02046580527876673,-0.02046580527876673,B,hcp,372.01171560589995 +14,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,20.0,1.0,0.03789396251218411,0.03789396251218411,B,hcp,372.2288652207 +15,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,16.0,1.0,0.08484979638496046,-0.08484979638496046,B,hcp,371.7721505871 +16,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,64.0,1.0,0.012416826339708864,-0.012416826339708864,B,hcp,372.0416648799 +17,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,48.0,1.0,0.022782979413942164,-0.022782979413942164,B,hcp,372.0030936821 +18,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,18.0,1.0,0.016329648125978757,-0.016329648125978757,B,hcp,372.02710574480005 +19,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,52.0,1.0,0.005822947711400786,-0.005822947711400786,B,hcp,372.0661999022 +20,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,62.0,1.0,0.007638041217597669,-0.007638041217597669,B,hcp,372.05944615949994 +21,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,20.0,1.0,0.03789396251218411,0.03789396251218411,B,hcp,372.2288652207 +22,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,6.0,1.0,0.22278700363322732,0.22278700363322732,B,hcp,372.9168297925 +23,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,14.0,1.0,0.06482326815542255,0.06482326815542255,B,hcp,372.3290658995 +24,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,44.0,1.0,1348231.365991357,1348231.365991357,B,hcp,5016977.411504832 +25,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,40.0,1.0,0.01066291717213034,-0.01066291717213034,B,hcp,372.04819096309996 +26,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,26.0,1.0,0.02751524313193973,-0.02751524313193973,B,hcp,371.985485503 +27,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,12.0,1.0,0.010116360946101357,-0.010116360946101357,B,hcp,372.0502246325 +28,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,56.0,1.0,0.013437643851691576,-0.013437643851691576,B,hcp,372.0378665418 +29,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,32.0,1.0,0.024866518653019604,-0.024866518653019604,B,hcp,371.9953410854 +30,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,8.0,1.0,0.08121713407018398,-0.08121713407018398,B,hcp,371.7856672828 +31,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,30.0,1.0,9608959.770228405,9608959.770228405,B,hcp,35754145.47861577 +32,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,50.0,1.0,0.01590819627505215,-0.01590819627505215,B,hcp,372.028673916 +33,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,4.0,1.0,0.15731688527992915,-0.15731688527992915,B,hcp,371.5025093422 +34,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,38.0,1.0,0.007114535783512185,-0.007114535783512185,B,hcp,372.06139405970004 +35,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,54.0,1.0,0.002094746457545976,-0.002094746457545976,B,hcp,372.0800720867 +36,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,42.0,1.0,23890114.89593403,23890114.89593403,B,hcp,88892590.88085736 +37,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,60.0,1.0,0.005323316530731722,-0.005323316530731722,B,hcp,372.06805896919997 +38,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,10.0,1.0,292225656.03235865,292225656.03235865,B,hcp,1087336580.6456084 +39,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,14.0,1.0,0.06489316137783085,0.06489316137783085,B,hcp,372.3293259637 +40,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,18.0,1.0,0.016329648125978757,-0.016329648125978757,B,hcp,372.02710574480005 +41,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,48.0,1.0,0.022782979413942164,-0.022782979413942164,B,hcp,372.0030936821 +42,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,66.0,1.0,25071351.466795404,25071351.466795404,B,hcp,93287828.83432417 +43,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,36.0,1.0,0.017884563166951,-0.017884563166951,B,hcp,372.0213200946 +44,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,50.0,1.0,32756853.21652533,32756853.21652533,B,hcp,121884648.31580694 +45,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,30.0,1.0,0.009239884367647114,0.009239884367647114,B,hcp,372.1222468727 +46,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,6.0,1.0,0.22278700363322732,0.22278700363322732,B,hcp,372.9168297925 +47,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,46.0,1.0,491637210.68928534,491637210.68928534,B,hcp,1829322779.6919308 +48,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,28.0,1.0,242192.1939599505,242192.1939599505,B,hcp,901539.854920805 +49,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,52.0,1.0,0.005822947711400786,-0.005822947711400786,B,hcp,372.0661999022 +50,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,56.0,1.0,0.013437643851691576,-0.013437643851691576,B,hcp,372.0378665418 +51,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,36.0,1.0,0.017884563166951,-0.017884563166951,B,hcp,372.0213200946 +52,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,42.0,1.0,0.016018892709197232,-0.016018892709197232,B,hcp,372.02826202800003 +53,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,22.0,1.0,0.0,0.0,B,hcp,372.08786638410004 +54,TetraBloechl,allKp_with_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,16.0,1.0,0.08494559166135593,-0.08494559166135593,B,hcp,371.77179414449995 +55,TetraBloechl,allKp_without_spin,VASP,Re,LDA,372.08786638410004,467.217736450971,22.0,1.0,0.0,0.0,B,hcp,372.08786638410004 +0,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,46.0,1.0,1.1731552425785526e-05,1.1731552425785526e-05,E0,hcp,-24.8528134644 +1,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,4.0,1.0,0.1824845879361721,0.1824845879361721,E0,hcp,-24.8981630977 +2,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,34.0,1.0,0.00021537877736695226,-0.00021537877736695226,E0,hcp,-24.8527570211 +3,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,12.0,1.0,0.003161944275698891,0.003161944275698891,E0,hcp,-24.8535963808 +4,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,10.0,1.0,0.02123034402546272,-0.02123034402546272,E0,hcp,-24.8475342116 +5,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,44.0,1.0,0.00010512082507901735,-0.00010512082507901735,E0,hcp,-24.852784423299997 +6,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,58.0,1.0,1432.9810115021778,1432.9810115021778,E0,hcp,-380.9888665374 +7,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,60.0,1.0,1.081559567560437e-05,-1.081559567560437e-05,E0,hcp,-24.8528078608 +8,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,38.0,1.0,5.750327300889289e-05,-5.750327300889289e-05,E0,hcp,-24.8527962576 +9,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,54.0,1.0,326.91482149575427,326.91482149575427,E0,hcp,-106.100331791 +10,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,8.0,1.0,0.010138643975720259,-0.010138643975720259,E0,hcp,-24.8502908108 +11,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,28.0,1.0,0.00021743263359746636,0.00021743263359746636,E0,hcp,-24.8528645869 +12,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,26.0,1.0,0.0007755363487986783,-0.0007755363487986783,E0,hcp,-24.852617806199998 +13,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,24.0,1.0,0.0006327573261532492,-0.0006327573261532492,E0,hcp,-24.8526532908 +14,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,20.0,1.0,0.0015019304145326455,0.0015019304145326455,E0,hcp,-24.8531838207 +15,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,16.0,1.0,0.0022569341942409635,-0.0022569341942409635,E0,hcp,-24.852249637199996 +16,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,64.0,1.0,8.292132376116146e-05,-8.292132376116146e-05,E0,hcp,-24.852789940500003 +17,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,48.0,1.0,0.0001487195157568912,-0.0001487195157568912,E0,hcp,-24.8527735878 +18,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,18.0,1.0,0.0035359480883467883,-0.0035359480883467883,E0,hcp,-24.8519317663 +19,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,52.0,1.0,4.6534694655043704e-05,-4.6534694655043704e-05,E0,hcp,-24.8527989836 +20,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,62.0,1.0,3.4453968437633347e-05,-3.4453968437633347e-05,E0,hcp,-24.852801986 +21,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,20.0,1.0,0.0015019304145326455,0.0015019304145326455,E0,hcp,-24.8531838207 +22,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,6.0,1.0,0.011430336278969465,0.011430336278969465,E0,hcp,-24.855651308600002 +23,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,14.0,1.0,0.0018126864147333238,0.0018126864147333238,E0,hcp,-24.8532610523 +24,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,44.0,1.0,2295.156764286093,2295.156764286093,E0,hcp,-595.2637729743 +25,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,40.0,1.0,0.00014666099606273718,-0.00014666099606273718,E0,hcp,-24.8527740994 +26,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,26.0,1.0,0.0007758775576923142,-0.0007758775576923142,E0,hcp,-24.852617721399998 +27,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,12.0,1.0,0.003161944275698891,0.003161944275698891,E0,hcp,-24.8535963808 +28,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,56.0,1.0,0.00010122468625688726,-0.00010122468625688726,E0,hcp,-24.852785391599998 +29,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,32.0,1.0,0.0006316725393825081,-0.0006316725393825081,E0,hcp,-24.8526535604 +30,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,8.0,1.0,0.010138643975720259,-0.010138643975720259,E0,hcp,-24.8502908108 +31,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,30.0,1.0,15421.086347627732,15421.086347627732,E0,hcp,-3857.4261850884004 +32,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,50.0,1.0,0.0001122588507525546,-0.0001122588507525546,E0,hcp,-24.8527826493 +33,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,4.0,1.0,0.1824845879361721,0.1824845879361721,E0,hcp,-24.8981630977 +34,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,38.0,1.0,5.750327300889289e-05,-5.750327300889289e-05,E0,hcp,-24.8527962576 +35,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,54.0,1.0,2.1865215158234733e-05,2.1865215158234733e-05,E0,hcp,-24.8528159829 +36,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,42.0,1.0,40669.85291066887,40669.85291066887,E0,hcp,-10132.454304904599 +37,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,60.0,1.0,1.081559567560437e-05,-1.081559567560437e-05,E0,hcp,-24.8528078608 +38,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,10.0,1.0,292050.0271634014,292050.0271634014,E0,hcp,-72607.492769128 +39,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,14.0,1.0,0.0018123818214126372,0.0018123818214126372,E0,hcp,-24.853260976599998 +40,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,18.0,1.0,0.0035359480883467883,-0.0035359480883467883,E0,hcp,-24.8519317663 +41,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,48.0,1.0,0.0001487195157568912,-0.0001487195157568912,E0,hcp,-24.8527735878 +42,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,66.0,1.0,25056.790084834243,25056.790084834243,E0,hcp,-6252.169379938001 +43,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,36.0,1.0,8.042381952488357e-05,-8.042381952488357e-05,E0,hcp,-24.8527905612 +44,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,50.0,1.0,82049.17841123456,82049.17841123456,E0,hcp,-20416.379677923 +45,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,30.0,1.0,6.757231928775789e-05,6.757231928775789e-05,E0,hcp,-24.852827342399998 +46,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,6.0,1.0,0.011430336278969465,0.011430336278969465,E0,hcp,-24.855651308600002 +47,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,46.0,1.0,1089394.8296084355,1089394.8296084355,E0,hcp,-270770.0859413325 +48,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,28.0,1.0,412.26998968393235,412.26998968393235,E0,hcp,-127.3134900344 +49,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,52.0,1.0,4.6534694655043704e-05,-4.6534694655043704e-05,E0,hcp,-24.8527989836 +50,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,56.0,1.0,0.00010122468625688726,-0.00010122468625688726,E0,hcp,-24.852785391599998 +51,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,36.0,1.0,8.042381952488357e-05,-8.042381952488357e-05,E0,hcp,-24.8527905612 +52,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,42.0,1.0,6.030818715608889e-05,-6.030818715608889e-05,E0,hcp,-24.852795560500002 +53,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,22.0,1.0,0.00010808226075046182,-0.00010808226075046182,E0,hcp,-24.8527836873 +54,TetraBloechl,allKp_with_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,16.0,1.0,0.0022575128008088296,-0.0022575128008088296,E0,hcp,-24.852249493400002 +55,TetraBloechl,allKp_without_spin,VASP,Re,LDA,-24.8528105487795,0.0747302708651292,22.0,1.0,0.00010808226075046182,-0.00010808226075046182,E0,hcp,-24.8527836873 +0,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,46.0,1.0,0.14407280495202116,-0.14407280495202116,dB,hcp,4.584818471499999 +1,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,4.0,1.0,2.351909219759824,-2.351909219759824,dB,hcp,4.4834471312 +2,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,34.0,1.0,0.012168443747171277,0.012168443747171277,dB,hcp,4.5919921845000005 +3,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,12.0,1.0,0.19604984461021105,-0.19604984461021105,dB,hcp,4.5824319803 +4,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,10.0,1.0,1.090803354431745,-1.090803354431745,dB,hcp,4.5413499681000005 +5,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,44.0,1.0,0.012701142305802195,-0.012701142305802195,dB,hcp,4.590850314 +6,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,58.0,1.0,3320.82300445335,3320.82300445335,dB,hcp,157.0648126667 +7,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,60.0,1.0,0.08813010618423861,-0.08813010618423861,dB,hcp,4.5873870433 +8,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,38.0,1.0,0.11486952222387968,-0.11486952222387968,dB,hcp,4.5861593208 +9,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,54.0,1.0,544.2948965115912,544.2948965115912,dB,hcp,29.5823715787 +10,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,8.0,1.0,0.7813103242802483,-0.7813103242802483,dB,hcp,4.5555601347 +11,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,28.0,1.0,0.017626212026592272,-0.017626212026592272,dB,hcp,4.5906241827 +12,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,26.0,1.0,0.3484299876039417,-0.3484299876039417,dB,hcp,4.5754355474 +13,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,24.0,1.0,0.22341334461263607,-0.22341334461263607,dB,hcp,4.581175603399999 +14,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,20.0,1.0,0.011877199192232684,0.011877199192232684,dB,hcp,4.591978812200001 +15,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,16.0,1.0,0.043636579064062826,0.043636579064062826,dB,hcp,4.593437023 +16,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,64.0,1.0,0.09256408091027236,-0.09256408091027236,dB,hcp,4.5871834602999995 +17,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,48.0,1.0,0.17389454594883766,-0.17389454594883766,dB,hcp,4.5834492261 +18,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,18.0,1.0,0.028574648987602,-0.028574648987602,dB,hcp,4.5901214925 +19,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,52.0,1.0,0.0777162125224921,-0.0777162125224921,dB,hcp,4.5878651903000005 +20,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,62.0,1.0,0.09002005624898783,-0.09002005624898783,dB,hcp,4.5873002675 +21,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,20.0,1.0,0.011877199192232684,0.011877199192232684,dB,hcp,4.591978812200001 +22,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,6.0,1.0,0.562698528052298,0.562698528052298,dB,hcp,4.6172694071 +23,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,14.0,1.0,0.024135939356834682,-0.024135939356834682,dB,hcp,4.5903252929 +24,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,44.0,1.0,1445.4076517576252,1445.4076517576252,dB,hcp,70.9563643021 +25,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,40.0,1.0,0.014928215843480941,-0.014928215843480941,dB,hcp,4.5907480594 +26,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,26.0,1.0,0.3397588829943511,-0.3397588829943511,dB,hcp,4.5758336754 +27,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,12.0,1.0,0.19604984461021105,-0.19604984461021105,dB,hcp,4.5824319803 +28,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,56.0,1.0,0.07568195240663657,-0.07568195240663657,dB,hcp,4.587958592 +29,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,32.0,1.0,0.020984006509756303,0.020984006509756303,dB,hcp,4.5923969452 +30,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,8.0,1.0,0.7813103242802483,-0.7813103242802483,dB,hcp,4.5555601347 +31,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,30.0,1.0,1754.6856649793085,-1754.6856649793085,dB,hcp,-75.9737915858 +32,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,50.0,1.0,0.18634952765940765,-0.18634952765940765,dB,hcp,4.5828773639 +33,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,4.0,1.0,2.351909219759824,-2.351909219759824,dB,hcp,4.4834471312 +34,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,38.0,1.0,0.11486952222387968,-0.11486952222387968,dB,hcp,4.5861593208 +35,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,54.0,1.0,0.08267983665137922,-0.08267983665137922,dB,hcp,4.5876372888 +36,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,42.0,1.0,1445.4618523686468,1445.4618523686468,dB,hcp,70.9588528871 +37,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,60.0,1.0,0.08813010618423861,-0.08813010618423861,dB,hcp,4.5873870433 +38,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,10.0,1.0,3321.0999891153197,3321.0999891153197,dB,hcp,157.0775302332 +39,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,14.0,1.0,0.02740160357046643,-0.02740160357046643,dB,hcp,4.5901753521 +40,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,18.0,1.0,0.028574648987602,-0.028574648987602,dB,hcp,4.5901214925 +41,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,48.0,1.0,0.17389454594883766,-0.17389454594883766,dB,hcp,4.5834492261 +42,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,66.0,1.0,3321.045090029625,3321.045090029625,dB,hcp,157.0750095782 +43,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,36.0,1.0,0.11259451594425345,0.11259451594425345,dB,hcp,4.5966031808 +44,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,50.0,1.0,128.15103891088654,-128.15103891088654,dB,hcp,-1.2925362251 +45,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,30.0,1.0,0.08223656114504099,-0.08223656114504099,dB,hcp,4.5876576415 +46,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,6.0,1.0,0.562698528052298,0.562698528052298,dB,hcp,4.6172694071 +47,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,46.0,1.0,801.3766060860103,-801.3766060860103,dB,hcp,-32.2032403022 +48,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,28.0,1.0,1445.110266061765,1445.110266061765,dB,hcp,70.9427100357 +49,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,52.0,1.0,0.0777162125224921,-0.0777162125224921,dB,hcp,4.5878651903000005 +50,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,56.0,1.0,0.07568195240663657,-0.07568195240663657,dB,hcp,4.587958592 +51,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,36.0,1.0,0.11259451594425345,0.11259451594425345,dB,hcp,4.5966031808 +52,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,42.0,1.0,0.14383996263706908,-0.14383996263706908,dB,hcp,4.5848291623 +53,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,22.0,1.0,0.1562740815821282,-0.1562740815821282,dB,hcp,4.584258258 +54,TetraBloechl,allKp_with_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,16.0,1.0,0.049642093491992834,0.049642093491992834,dB,hcp,4.5937127622 +55,TetraBloechl,allKp_without_spin,VASP,Re,LDA,4.59143347849998,0.177936633913971,22.0,1.0,0.1562740815821282,-0.1562740815821282,dB,hcp,4.584258258 +0,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,46.0,1.0,0.0004630046488694584,0.0004630046488694584,v0,hcp,29.8665139529 +1,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,4.0,1.0,0.2165734001556656,-0.2165734001556656,v0,hcp,29.8016930449 +2,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,34.0,1.0,1.5726019949400196e-05,-1.5726019949400196e-05,v0,hcp,29.866370973400002 +3,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,12.0,1.0,0.0026781404648164643,-0.0026781404648164643,v0,hcp,29.8655758067 +4,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,10.0,1.0,0.01812921109674698,-0.01812921109674698,v0,hcp,29.8609611319 +5,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,44.0,1.0,0.00028960893399551034,-0.00028960893399551034,v0,hcp,29.866289174499997 +6,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,58.0,1.0,2.5824494287801034,-2.5824494287801034,v0,hcp,29.0950916223 +7,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,60.0,1.0,0.00016986663652766255,0.00016986663652766255,v0,hcp,29.866426403200002 +8,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,38.0,1.0,0.000737260557604434,0.000737260557604434,v0,hcp,29.8665958632 +9,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,54.0,1.0,0.3959241101029036,-0.3959241101029036,v0,hcp,29.7481274881 +10,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,8.0,1.0,0.035485881262712723,0.035485881262712723,v0,hcp,29.8769740168 +11,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,28.0,1.0,0.0003736358687505863,-0.0003736358687505863,v0,hcp,29.8662640787 +12,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,26.0,1.0,6.215042024248965e-06,6.215042024248965e-06,v0,hcp,29.866377526399997 +13,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,24.0,1.0,0.001997853754973866,0.001997853754973866,v0,hcp,29.8669723567 +14,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,20.0,1.0,0.002607031066631849,-0.002607031066631849,v0,hcp,29.8655970445 +15,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,16.0,1.0,0.0025442672261052467,0.0025442672261052467,v0,hcp,29.8671355506 +16,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,64.0,1.0,0.00032544962560619267,0.00032544962560619267,v0,hcp,29.8664728702 +17,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,48.0,1.0,0.0008169826513161266,0.0008169826513161266,v0,hcp,29.8666196733 +18,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,18.0,1.0,0.0014674391598093266,-0.0014674391598093266,v0,hcp,29.865937399299998 +19,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,52.0,1.0,3.4040595723729745e-05,-3.4040595723729745e-05,v0,hcp,29.8663655035 +20,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,62.0,1.0,0.000438163670252441,0.000438163670252441,v0,hcp,29.86650653380001 +21,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,20.0,1.0,0.002607031066631849,-0.002607031066631849,v0,hcp,29.8655970445 +22,TetraBloechl,allKp_without_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,6.0,1.0,0.07258768404710808,0.07258768404710808,v0,hcp,29.8880549806 +23,TetraBloechl,allKp_with_spin,VASP,Re,LDA,29.8663756701922,0.0019858730015100802,14.0,1.0,0.00890461479883098,0.00890461479883098,v0,hcp,29.8690351559 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+22,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,24.0,1.0,0.0003103578244010324,-0.0003103578244010324,E0,hcp,-12.4037350432 +23,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,32.0,1.0,0.0001666007657565644,-0.0001666007657565644,E0,hcp,-12.4037528745 +24,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,58.0,1.0,0.00012513757729282278,-0.00012513757729282278,E0,hcp,-12.4037580175 +25,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,26.0,1.0,2.5792014068513452e-06,2.5792014068513452e-06,E0,hcp,-12.403773859200001 +26,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,60.0,1.0,0.00011275505519727518,-0.00011275505519727518,E0,hcp,-12.403759553399999 +27,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,30.0,1.0,0.00012930082647226942,-0.00012930082647226942,E0,hcp,-12.4037575011 +28,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,36.0,1.0,3.3278434869826823e-05,-3.3278434869826823e-05,E0,hcp,-12.4037694115 +29,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,38.0,1.0,0.00013707910455079168,-0.00013707910455079168,E0,hcp,-12.403756536300001 +30,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,48.0,1.0,0.00014065221074899674,-0.00014065221074899674,E0,hcp,-12.4037560931 +31,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,52.0,1.0,0.00011442954561556472,-0.00011442954561556472,E0,hcp,-12.4037593457 +32,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,22.0,1.0,0.00030658236042661565,-0.00030658236042661565,E0,hcp,-12.4037355115 +33,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,40.0,1.0,0.00015935780862838235,-0.00015935780862838235,E0,hcp,-12.4037537729 +34,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,64.0,1.0,1.5903077331566166e-05,-1.5903077331566166e-05,E0,hcp,-12.403771566700001 +35,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,-12.4037735392817,2.68817576828153e-06,54.0,1.0,1.042893677739851e-05,-1.042893677739851e-05,E0,hcp,-12.403772245699999 +0,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,62.0,1.0,0.04016078927964983,0.04016078927964983,dB,hcp,3.4972937548000003 +1,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,18.0,1.0,2.4704413815841137,2.4704413815841137,dB,hcp,3.5822536856 +2,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,64.0,1.0,0.20926895274117635,0.20926895274117635,dB,hcp,3.5032055898000003 +3,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,42.0,1.0,2.5948924505948474,2.5948924505948474,dB,hcp,3.5866043578 +4,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,6.0,1.0,0.5601034663928699,0.5601034663928699,dB,hcp,3.5154703777 +5,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,54.0,1.0,0.07525092437154265,-0.07525092437154265,dB,hcp,3.4932590885000003 +6,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,28.0,1.0,2.2133057888976153,2.2133057888976153,dB,hcp,3.5732645087 +7,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,10.0,1.0,1.071775239147795,1.071775239147795,dB,hcp,3.5333578588999996 +8,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,34.0,1.0,2.57418456087298,2.57418456087298,dB,hcp,3.5858804328 +9,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,8.0,1.0,2.0322717374221506,2.0322717374221506,dB,hcp,3.5669357577999996 +10,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,46.0,1.0,2.6646808350983444,2.6646808350983444,dB,hcp,3.5890440827999996 +11,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,62.0,1.0,0.04016078927964983,0.04016078927964983,dB,hcp,3.4972937548000003 +12,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,16.0,1.0,2.6828060289763243,2.6828060289763243,dB,hcp,3.5896777195999996 +13,TetraBloechl,allKp_with_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,4.0,1.0,2.8027328277711967,2.8027328277711967,dB,hcp,3.5938702282999997 +14,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,50.0,1.0,2.484261877386299,2.484261877386299,dB,hcp,3.5827368349 +15,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,14.0,1.0,1.3644727282038125,1.3644727282038125,dB,hcp,3.5435902405 +16,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,44.0,1.0,2.6563176108957145,2.6563176108957145,dB,hcp,3.5887517137000002 +17,TetraBloechl,allKp_with_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,8.0,1.0,50.71420127128899,-50.71420127128899,dB,hcp,1.7229771997 +18,TetraBloechl,allKp_with_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,6.0,1.0,2.7929446044076927,2.7929446044076927,dB,hcp,3.5935280427999996 +19,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,12.0,1.0,1.920204648671318,1.920204648671318,dB,hcp,3.5630180158999996 +20,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,56.0,1.0,2.444400657824404,2.444400657824404,dB,hcp,3.5813433306 +21,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,20.0,1.0,2.4819263289226012,2.4819263289226012,dB,hcp,3.5826551867000003 +22,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,24.0,1.0,2.491217837540964,2.491217837540964,dB,hcp,3.5829800076 +23,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,32.0,1.0,2.46436262585946,2.46436262585946,dB,hcp,3.582041179 +24,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,58.0,1.0,2.6722393285517865,2.6722393285517865,dB,hcp,3.5893083194 +25,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,26.0,1.0,2.6687104672936104,2.6687104672936104,dB,hcp,3.5891849543000003 +26,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,60.0,1.0,2.6035516909952854,2.6035516909952854,dB,hcp,3.5869070752999996 +27,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,30.0,1.0,2.5536533214574044,2.5536533214574044,dB,hcp,3.5851626832999997 +28,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,36.0,1.0,2.422085700844416,2.422085700844416,dB,hcp,3.5805632243 +29,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,38.0,1.0,2.5856184997382767,2.5856184997382767,dB,hcp,3.5862801507 +30,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,48.0,1.0,2.4029123961183245,2.4029123961183245,dB,hcp,3.5798929467 +31,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,52.0,1.0,2.5114258774074254,2.5114258774074254,dB,hcp,3.5836864584 +32,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,22.0,1.0,2.3748060008246403,2.3748060008246403,dB,hcp,3.5789103781000002 +33,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,40.0,1.0,2.356965730117378,2.356965730117378,dB,hcp,3.5782867019 +34,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,64.0,1.0,0.20926895274117635,0.20926895274117635,dB,hcp,3.5032055898000003 +35,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,3.49588977787286,0.00974040268082915,54.0,1.0,0.07525092437154265,-0.07525092437154265,dB,hcp,3.4932590885000003 +0,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,62.0,1.0,0.0004818314521613956,0.0004818314521613956,v0,hcp,48.381164403 +1,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,18.0,1.0,0.0022668613740726025,0.0022668613740726025,v0,hcp,48.3820280171 +2,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,64.0,1.0,8.94742102966133e-05,-8.94742102966133e-05,v0,hcp,48.380888 +3,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,42.0,1.0,0.004215047932089175,0.004215047932089175,v0,hcp,48.3829705679 +4,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,6.0,1.0,0.052413236539450056,-0.052413236539450056,v0,hcp,48.355573276499996 +5,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,54.0,1.0,0.0007916332604510594,0.0007916332604510594,v0,hcp,48.381314288 +6,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,28.0,1.0,0.005538216550281406,0.005538216550281406,v0,hcp,48.3836107292 +7,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,10.0,1.0,0.006314173296058145,0.006314173296058145,v0,hcp,48.3839861443 +8,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,34.0,1.0,0.0037766452508008032,0.0037766452508008032,v0,hcp,48.3827584646 +9,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,8.0,1.0,0.00905201869241278,0.00905201869241278,v0,hcp,48.3853107394 +10,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,46.0,1.0,0.0048077130428221355,0.0048077130428221355,v0,hcp,48.3832573048 +11,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,62.0,1.0,0.0004818314521613956,0.0004818314521613956,v0,hcp,48.381164403 +12,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,16.0,1.0,0.00043953441601146095,0.00043953441601146095,v0,hcp,48.3811439393 +13,TetraBloechl,allKp_with_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,4.0,1.0,0.7567961465246924,0.7567961465246924,v0,hcp,48.7470763121 +14,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,50.0,1.0,0.004357528240253534,0.004357528240253534,v0,hcp,48.383039501199995 +15,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,14.0,1.0,0.008406773981963564,0.008406773981963564,v0,hcp,48.38499856399999 +16,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,44.0,1.0,0.004653985328159418,0.004653985328159418,v0,hcp,48.383182929899995 +17,TetraBloechl,allKp_with_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,8.0,1.0,0.3322891882450259,0.3322891882450259,v0,hcp,48.5416958923 +18,TetraBloechl,allKp_with_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,6.0,1.0,0.14611585135127275,0.14611585135127275,v0,hcp,48.451623498100005 +19,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,12.0,1.0,0.015259056713440002,0.015259056713440002,v0,hcp,48.3883137622 +20,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,56.0,1.0,0.0047405144603933,0.0047405144603933,v0,hcp,48.383224793500005 +21,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,20.0,1.0,0.005262692089603324,0.005262692089603324,v0,hcp,48.3834774279 +22,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,24.0,1.0,0.004528374682851062,0.004528374682851062,v0,hcp,48.3831221583 +23,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,32.0,1.0,0.0047214871292458,0.0047214871292458,v0,hcp,48.3832155879 +24,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,58.0,1.0,0.004259995599314974,0.004259995599314974,v0,hcp,48.382992314 +25,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,26.0,1.0,0.003934138911975732,0.003934138911975732,v0,hcp,48.3828346615 +26,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,60.0,1.0,0.004527490656886408,0.004527490656886408,v0,hcp,48.3831217306 +27,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,30.0,1.0,0.00487424193993766,0.00487424193993766,v0,hcp,48.3832894921 +28,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,36.0,1.0,0.004642229456889133,0.004642229456889133,v0,hcp,48.38317724229999 +29,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,38.0,1.0,0.005143579045547121,0.005143579045547121,v0,hcp,48.3834197999 +30,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,48.0,1.0,0.004681572850031721,0.004681572850031721,v0,hcp,48.383196276999996 +31,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,52.0,1.0,0.004554015570009571,0.004554015570009571,v0,hcp,48.383134563599995 +32,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,22.0,1.0,0.0067164710501863185,0.0067164710501863185,v0,hcp,48.3841807797 +33,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,40.0,1.0,0.004797891611395787,0.004797891611395787,v0,hcp,48.38325255310001 +34,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,64.0,1.0,8.94742102966133e-05,-8.94742102966133e-05,v0,hcp,48.380888 +35,TetraBloechl,allKp_without_spin,VASP,Sc,LDA,48.3809312884562,0.000392455173357189,54.0,1.0,0.0007916332604510594,0.0007916332604510594,v0,hcp,48.381314288 +0,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,10.0,1.0,0.188429300610785,0.188429300610785,B,hcp,304.4181396152 +1,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,62.0,1.0,0.00684344841918076,-0.00684344841918076,B,hcp,303.82481194860003 +2,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,6.0,1.0,0.3608905863893296,-0.3608905863893296,B,hcp,302.7490552786 +3,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,28.0,1.0,0.016530327041275578,-0.016530327041275578,B,hcp,303.7953787936 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+58,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,40.0,1.0,0.0029382083055941076,0.0029382083055941076,B,hcp,303.8545330827 +59,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,10.0,1.0,0.188429300610785,0.188429300610785,B,hcp,304.4181396152 +60,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,32.0,1.0,0.014130110340126229,0.014130110340126229,B,hcp,303.8885391852 +61,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,28.0,1.0,0.016530327041275578,-0.016530327041275578,B,hcp,303.7953787936 +62,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,8.0,1.0,0.0005345995751594693,0.0005345995751594693,B,hcp,303.8472298232 +63,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,303.84560546588403,0.00548514008782858,24.0,1.0,0.01028852715114627,0.01028852715114627,B,hcp,303.87686670349996 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+16,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,54.0,1.0,7.773327318203225e-06,-7.773327318203225e-06,E0,hcp,-20.7500637612 +17,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,14.0,1.0,0.0059290995344455635,0.0059290995344455635,E0,hcp,-20.751295666199997 +18,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,26.0,1.0,0.0006547407299705213,0.0006547407299705213,E0,hcp,-20.7502012333 +19,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,48.0,1.0,3.9037325197462064e-05,-3.9037325197462064e-05,E0,hcp,-20.7500572739 +20,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,24.0,1.0,0.0009938413483550814,0.0009938413483550814,E0,hcp,-20.7502715969 +21,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,4.0,1.0,0.3807760284353293,0.3807760284353293,E0,hcp,-20.829076649 +22,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,58.0,1.0,8.28609677809071e-06,-8.28609677809071e-06,E0,hcp,-20.7500636548 +23,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,50.0,1.0,0.00010215375286003298,-0.00010215375286003298,E0,hcp,-20.7500441772 +24,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,14.0,1.0,0.0059290995344455635,0.0059290995344455635,E0,hcp,-20.751295666199997 +25,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,66.0,1.0,2.133858577720708e-05,-2.133858577720708e-05,E0,hcp,-20.7500609464 +26,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,64.0,1.0,3.31291944210599e-05,3.31291944210599e-05,E0,hcp,-20.7500722485 +27,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,58.0,1.0,8.28609677809071e-06,-8.28609677809071e-06,E0,hcp,-20.7500636548 +28,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,62.0,1.0,5.129126250657204e-05,-5.129126250657204e-05,E0,hcp,-20.7500547312 +29,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,20.0,1.0,0.0010700902647542221,0.0010700902647542221,E0,hcp,-20.7502874186 +30,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,50.0,1.0,0.00010215375286003298,-0.00010215375286003298,E0,hcp,-20.7500441772 +31,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,54.0,1.0,7.773327318203225e-06,-7.773327318203225e-06,E0,hcp,-20.7500637612 +32,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,20.0,1.0,0.0010700902647542221,0.0010700902647542221,E0,hcp,-20.7502874186 +33,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,16.0,1.0,0.007062620980105698,-0.007062620980105698,E0,hcp,-20.7485998757 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+46,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,12.0,1.0,0.015374612623976372,-0.015374612623976372,E0,hcp,-20.746875132 +47,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,44.0,1.0,8.99084902402273e-05,-8.99084902402273e-05,E0,hcp,-20.7500467181 +48,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,70.0,1.0,3.083137033341016e-05,3.083137033341016e-05,E0,hcp,-20.7500717717 +49,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,6.0,1.0,0.181050108966231,-0.181050108966231,E0,hcp,-20.7124973582 +50,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,42.0,1.0,1.8910925959985377e-05,1.8910925959985377e-05,E0,hcp,-20.7500692982 +51,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,30.0,1.0,0.0010444416708723708,0.0010444416708723708,E0,hcp,-20.7502820965 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+58,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,40.0,1.0,7.724170842500509e-06,-7.724170842500509e-06,E0,hcp,-20.7500637714 +59,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,10.0,1.0,0.017413924555615787,0.017413924555615787,E0,hcp,-20.7536787749 +60,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,32.0,1.0,0.000118797073916984,-0.000118797073916984,E0,hcp,-20.7500407237 +61,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,28.0,1.0,0.0016926764526586915,-0.0016926764526586915,E0,hcp,-20.7497141427 +62,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,8.0,1.0,0.004614833993215165,-0.004614833993215165,E0,hcp,-20.7491077931 +63,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,24.0,1.0,0.0009938413483550814,0.0009938413483550814,E0,hcp,-20.7502715969 +64,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,64.0,1.0,3.31291944210599e-05,3.31291944210599e-05,E0,hcp,-20.7500722485 +65,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,-20.7500653741705,2.8826670838367e-06,36.0,1.0,0.0003224198492580687,0.0003224198492580687,E0,hcp,-20.7501322765 +0,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,10.0,1.0,0.581589131094321,0.581589131094321,dB,hcp,4.6636758167000005 +1,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,62.0,1.0,0.08329412421328647,-0.08329412421328647,dB,hcp,4.6328471135 +2,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,6.0,1.0,1.136854433559524,-1.136854433559524,dB,hcp,4.5839965855 +3,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,28.0,1.0,0.02586834770418708,0.02586834770418708,dB,hcp,4.6379086599 +4,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,66.0,1.0,0.012008420424505818,-0.012008420424505818,dB,hcp,4.6361524243000005 +5,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,18.0,1.0,0.12306275564074752,-0.12306275564074752,dB,hcp,4.6310031576999995 +6,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,18.0,1.0,0.12306275564074752,-0.12306275564074752,dB,hcp,4.6310031576999995 +7,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,26.0,1.0,0.5553073724533768,-0.5553073724533768,dB,hcp,4.6109612317 +8,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,44.0,1.0,0.09575350806959763,-0.09575350806959763,dB,hcp,4.6322694081 +9,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,46.0,1.0,0.07753289871271475,0.07753289871271475,dB,hcp,4.6403041949 +10,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,56.0,1.0,0.02362651206017442,0.02362651206017442,dB,hcp,4.6378047125 +11,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,48.0,1.0,0.10024787500440964,0.10024787500440964,dB,hcp,4.6413574223000005 +12,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,22.0,1.0,0.508186871761793,-0.508186871761793,dB,hcp,4.6131460723 +13,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,60.0,1.0,0.013464231493077376,0.013464231493077376,dB,hcp,4.6373335171 +14,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,36.0,1.0,0.07804582067682511,0.07804582067682511,dB,hcp,4.6403279776 +15,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,46.0,1.0,0.07753289871271475,0.07753289871271475,dB,hcp,4.6403041949 +16,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,54.0,1.0,0.06610888278059422,0.06610888278059422,dB,hcp,4.639774496499999 +17,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,14.0,1.0,1.26657178784837,1.26657178784837,dB,hcp,4.6954364707 +18,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,26.0,1.0,0.5553073724533768,-0.5553073724533768,dB,hcp,4.6109612317 +19,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,48.0,1.0,0.10024787500440964,0.10024787500440964,dB,hcp,4.6413574223000005 +20,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,24.0,1.0,0.11869384087046285,0.11869384087046285,dB,hcp,4.6422127081 +21,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,4.0,1.0,2.608897052364056,2.608897052364056,dB,hcp,4.75767619 +22,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,58.0,1.0,0.05565649719717964,-0.05565649719717964,dB,hcp,4.6341285899 +23,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,50.0,1.0,0.012252208108910851,0.012252208108910851,dB,hcp,4.6372773191 +24,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,14.0,1.0,1.26657178784837,1.26657178784837,dB,hcp,4.6954364707 +25,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,66.0,1.0,0.012008420424505818,-0.012008420424505818,dB,hcp,4.6361524243000005 +26,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,64.0,1.0,0.0240859974190708,0.0240859974190708,dB,hcp,4.6378260175 +27,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,58.0,1.0,0.05565649719717964,-0.05565649719717964,dB,hcp,4.6341285899 +28,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,62.0,1.0,0.08329412421328647,-0.08329412421328647,dB,hcp,4.6328471135 +29,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,20.0,1.0,0.0004863090590920085,-0.0004863090590920085,dB,hcp,4.6366866711000005 +30,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,50.0,1.0,0.012252208108910851,0.012252208108910851,dB,hcp,4.6372773191 +31,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,54.0,1.0,0.06610888278059422,0.06610888278059422,dB,hcp,4.639774496499999 +32,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,20.0,1.0,0.0004863090590920085,-0.0004863090590920085,dB,hcp,4.6366866711000005 +33,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,16.0,1.0,0.14091096998336058,-0.14091096998336058,dB,hcp,4.6301755879 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+40,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,38.0,1.0,0.03116571189752724,-0.03116571189752724,dB,hcp,4.6352641564 +41,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,22.0,1.0,0.508186871761793,-0.508186871761793,dB,hcp,4.6131460723 +42,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,8.0,1.0,0.4394762723053948,-0.4394762723053948,dB,hcp,4.616331983 +43,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,34.0,1.0,0.15270322552661467,-0.15270322552661467,dB,hcp,4.629628815299999 +44,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,40.0,1.0,0.018430132719206082,0.018430132719206082,dB,hcp,4.6375637715 +45,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,30.0,1.0,0.030744137607797633,0.030744137607797633,dB,hcp,4.6381347361000005 +46,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,12.0,1.0,2.625381568380093,-2.625381568380093,dB,hcp,4.5149779106 +47,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,44.0,1.0,0.09575350806959763,-0.09575350806959763,dB,hcp,4.6322694081 +48,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,70.0,1.0,0.014819628112119575,0.014819628112119575,dB,hcp,4.637396362900001 +49,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,6.0,1.0,1.136854433559524,-1.136854433559524,dB,hcp,4.5839965855 +50,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,42.0,1.0,0.11080171072622913,-0.11080171072622913,dB,hcp,4.6315716667 +51,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,30.0,1.0,0.030744137607797633,0.030744137607797633,dB,hcp,4.6381347361000005 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+58,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,40.0,1.0,0.018430132719206082,0.018430132719206082,dB,hcp,4.6375637715 +59,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,10.0,1.0,0.581589131094321,0.581589131094321,dB,hcp,4.6636758167000005 +60,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,32.0,1.0,0.08924363523416061,0.08924363523416061,dB,hcp,4.6408471876999995 +61,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,28.0,1.0,0.02586834770418708,0.02586834770418708,dB,hcp,4.6379086599 +62,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,8.0,1.0,0.4394762723053948,-0.4394762723053948,dB,hcp,4.616331983 +63,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,4.63670921983698,0.00048064780797298,24.0,1.0,0.11869384087046285,0.11869384087046285,dB,hcp,4.6422127081 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+4,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,66.0,1.0,0.0005788914762921004,0.0005788914762921004,v0,hcp,28.6108115889 +5,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,18.0,1.0,0.008089266883682625,-0.008089266883682625,v0,hcp,28.6083315728 +6,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,18.0,1.0,0.008089266883682625,-0.008089266883682625,v0,hcp,28.6083315728 +7,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,26.0,1.0,0.006193976511437655,0.006193976511437655,v0,hcp,28.612418101 +8,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,44.0,1.0,0.0008633376929239126,0.0008633376929239126,v0,hcp,28.6108929708 +9,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,46.0,1.0,6.927732713057901e-05,6.927732713057901e-05,v0,hcp,28.610665785 +10,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,56.0,1.0,0.00023628620368737607,-0.00023628620368737607,v0,hcp,28.6105783613 +11,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,48.0,1.0,0.00029072817615656213,-0.00029072817615656213,v0,hcp,28.6105627851 +12,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,22.0,1.0,0.0041730284324490476,0.0041730284324490476,v0,hcp,28.611839894699997 +13,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,60.0,1.0,1.428520979920134e-05,1.428520979920134e-05,v0,hcp,28.6106500514 +14,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,36.0,1.0,0.0014951262943702721,0.0014951262943702721,v0,hcp,28.6110737296 +15,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,46.0,1.0,6.927732713057901e-05,6.927732713057901e-05,v0,hcp,28.610665785 +16,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,54.0,1.0,0.0004029353595904786,-0.0004029353595904786,v0,hcp,28.610530681900002 +17,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,14.0,1.0,0.015042146600136044,-0.015042146600136044,v0,hcp,28.606342309000002 +18,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,26.0,1.0,0.006193976511437655,0.006193976511437655,v0,hcp,28.612418101 +19,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,48.0,1.0,0.00029072817615656213,-0.00029072817615656213,v0,hcp,28.6105627851 +20,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,24.0,1.0,0.003720826892636452,-0.003720826892636452,v0,hcp,28.609581411700002 +21,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,4.0,1.0,0.0663284737886543,-0.0663284737886543,v0,hcp,28.591668959499998 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+28,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,62.0,1.0,7.42038149942842e-05,7.42038149942842e-05,v0,hcp,28.6106671945 +29,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,20.0,1.0,0.006975557955911945,0.006975557955911945,v0,hcp,28.6126417165 +30,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,50.0,1.0,0.000399123142274549,-0.000399123142274549,v0,hcp,28.6105317726 +31,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,54.0,1.0,0.0004029353595904786,-0.0004029353595904786,v0,hcp,28.610530681900002 +32,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,20.0,1.0,0.006975557955911945,0.006975557955911945,v0,hcp,28.6126417165 +33,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,16.0,1.0,0.022383942322695763,0.022383942322695763,v0,hcp,28.6170501548 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+40,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,38.0,1.0,5.235491725520541e-07,5.235491725520541e-07,v0,hcp,28.6106461141 +41,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,22.0,1.0,0.0041730284324490476,0.0041730284324490476,v0,hcp,28.611839894699997 +42,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,8.0,1.0,0.0304516812380621,-0.0304516812380621,v0,hcp,28.601933541599998 +43,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,34.0,1.0,0.001249001192237657,-0.001249001192237657,v0,hcp,28.610288617 +44,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,40.0,1.0,0.00020361305114609227,-0.00020361305114609227,v0,hcp,28.6105877093 +45,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,30.0,1.0,0.0022843168588819233,-0.0022843168588819233,v0,hcp,28.6099924065 +46,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,12.0,1.0,0.0070987963478126295,0.0070987963478126295,v0,hcp,28.6126769758 +47,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,44.0,1.0,0.0008633376929239126,0.0008633376929239126,v0,hcp,28.6108929708 +48,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,70.0,1.0,0.0002394378277344126,-0.0002394378277344126,v0,hcp,28.6105774596 +49,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,6.0,1.0,0.15431105066930104,0.15431105066930104,v0,hcp,28.6547953527 +50,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,42.0,1.0,0.0005255043559116293,0.0005255043559116293,v0,hcp,28.610796314499996 +51,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,30.0,1.0,0.0022843168588819233,-0.0022843168588819233,v0,hcp,28.6099924065 +52,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,52.0,1.0,0.0006460808016262129,0.0006460808016262129,v0,hcp,28.610830812199996 +53,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,52.0,1.0,0.0006460808016262129,0.0006460808016262129,v0,hcp,28.610830812199996 +54,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,38.0,1.0,5.235491725520541e-07,5.235491725520541e-07,v0,hcp,28.6106461141 +55,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,60.0,1.0,1.428520979920134e-05,1.428520979920134e-05,v0,hcp,28.6106500514 +56,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,68.0,1.0,4.413465258354921e-05,-4.413465258354921e-05,v0,hcp,28.6106333371 +57,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,12.0,1.0,0.007107640258588644,0.007107640258588644,v0,hcp,28.6126795061 +58,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,40.0,1.0,0.00020361305114609227,-0.00020361305114609227,v0,hcp,28.6105877093 +59,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,10.0,1.0,0.008418491472734931,0.008418491472734931,v0,hcp,28.6130545491 +60,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,32.0,1.0,0.0021291948163738887,0.0021291948163738887,v0,hcp,28.611255140700003 +61,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,28.0,1.0,0.00020200385993947588,-0.00020200385993947588,v0,hcp,28.610588169699998 +62,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,8.0,1.0,0.0304516812380621,-0.0304516812380621,v0,hcp,28.601933541599998 +63,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,24.0,1.0,0.003720826892636452,-0.003720826892636452,v0,hcp,28.609581411700002 +64,TetraBloechl,allKp_with_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,64.0,1.0,0.0002232047094525673,-0.0002232047094525673,v0,hcp,28.610582104000002 +65,TetraBloechl,allKp_without_spin,VASP,Tc,LDA,28.6106459643092,2.8009917988476398e-05,36.0,1.0,0.0014951262943702721,0.0014951262943702721,v0,hcp,28.6110737296 +0,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,28.0,1.0,0.04146409176668487,-0.04146409176668487,B,hcp,116.7063357551 +1,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,42.0,1.0,0.05297722407143142,-0.05297722407143142,B,hcp,116.6928936266 +2,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,4.0,1.0,0.014913439066823322,-0.014913439066823322,B,hcp,116.7373349025 +3,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,34.0,1.0,0.01541976537468902,-0.01541976537468902,B,hcp,116.7367437425 +4,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,34.0,1.0,0.05871464346483681,-0.05871464346483681,B,hcp,116.6861949171 +5,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,10.0,1.0,0.07350007192585449,-0.07350007192585449,B,hcp,116.6689322275 +6,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,52.0,1.0,0.0017881592070143177,-0.0017881592070143177,B,hcp,116.7526592898 +7,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,48.0,1.0,0.0034861779600660115,-0.0034861779600660115,B,hcp,116.7506767723 +8,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,32.0,1.0,0.0008819717270778807,-0.0008819717270778807,B,hcp,116.7537173067 +9,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,20.0,1.0,0.03398567685115799,0.03398567685115799,B,hcp,116.7944269416 +10,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,46.0,1.0,0.003378440756077147,-0.003378440756077147,B,hcp,116.7508025606 +11,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,24.0,1.0,0.052390680554101655,-0.052390680554101655,B,hcp,116.693578444 +12,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,22.0,1.0,0.003300918325264134,0.003300918325264134,B,hcp,116.75860102940001 +13,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,42.0,1.0,0.05297722407143142,-0.05297722407143142,B,hcp,116.6928936266 +14,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,42.0,1.0,0.002540719956944621,-0.002540719956944621,B,hcp,116.75178063940001 +15,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,6.0,1.0,0.3885840540980644,0.3885840540980644,B,hcp,117.20843738 +16,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,40.0,1.0,0.008694820636800684,0.008694820636800684,B,hcp,116.7648986664 +17,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,30.0,1.0,0.00807407312948005,-0.00807407312948005,B,hcp,116.7453201869 +18,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,14.0,1.0,0.333161625173624,0.333161625173624,B,hcp,117.1437290633 +19,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,30.0,1.0,0.00807407312948005,-0.00807407312948005,B,hcp,116.7453201869 +20,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,4.0,1.0,3.194485127738657,-3.194485127738657,B,hcp,113.02503402010001 +21,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,38.0,1.0,0.010828946711273523,0.010828946711273523,B,hcp,116.76739035989999 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+28,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,16.0,1.0,0.10391778476334512,0.10391778476334512,B,hcp,116.87607599729999 +29,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,26.0,1.0,0.03128893126990969,-0.03128893126990969,B,hcp,116.718215738 +30,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,18.0,1.0,0.1742418904414238,0.1742418904414238,B,hcp,116.958182729 +31,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,12.0,1.0,0.248314892254829,0.248314892254829,B,hcp,117.0446664749 +32,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,6.0,1.0,0.2641052387424295,0.2641052387424295,B,hcp,117.063102454 +33,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,18.0,1.0,0.1742418904414238,0.1742418904414238,B,hcp,116.958182729 +34,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,34.0,1.0,0.05871464346483681,-0.05871464346483681,B,hcp,116.6861949171 +35,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,14.0,1.0,0.333161625173624,0.333161625173624,B,hcp,117.1437290633 +36,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,16.0,1.0,0.10391778476334512,0.10391778476334512,B,hcp,116.87607599729999 +37,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,32.0,1.0,0.0008819717270778807,-0.0008819717270778807,B,hcp,116.7537173067 +38,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,44.0,1.0,0.000955120016246932,-0.000955120016246932,B,hcp,116.7536319026 +39,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,8.0,1.0,0.671930791817214,0.671930791817214,B,hcp,117.53925814690001 +40,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,28.0,1.0,0.04146409176668487,-0.04146409176668487,B,hcp,116.7063357551 +41,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,22.0,1.0,0.002624687405363436,0.002624687405363436,B,hcp,116.7578114977 +42,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,20.0,1.0,0.034318163118159266,0.034318163118159266,B,hcp,116.79481513510001 +43,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,50.0,1.0,0.005855051320558586,-0.005855051320558586,B,hcp,116.7479110002 +44,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,36.0,1.0,0.004233440323287128,0.004233440323287128,B,hcp,116.7596897931 +45,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,10.0,1.0,0.07350007192585449,-0.07350007192585449,B,hcp,116.6689322275 +46,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,116.754747050559,0.00550993572372516,36.0,1.0,0.006439057281096118,0.006439057281096118,B,hcp,116.76226495559999 +0,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,28.0,1.0,0.000380475869551233,-0.000380475869551233,E0,hcp,-23.327248403400002 +1,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,42.0,1.0,5.30086696996073e-05,5.30086696996073e-05,E0,hcp,-23.327349523800002 +2,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,4.0,1.0,0.1572958163296455,0.1572958163296455,E0,hcp,-23.364030083699998 +3,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,34.0,1.0,9.785552780126904e-05,-9.785552780126904e-05,E0,hcp,-23.3273143312 +4,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,34.0,1.0,2.6901960812809765e-05,2.6901960812809765e-05,E0,hcp,-23.3273434338 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+11,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,24.0,1.0,3.0309550777542048e-05,3.0309550777542048e-05,E0,hcp,-23.3273442287 +12,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,22.0,1.0,0.0009419342953908392,-0.0009419342953908392,E0,hcp,-23.327117430100003 +13,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,42.0,1.0,5.30086696996073e-05,5.30086696996073e-05,E0,hcp,-23.327349523800002 +14,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,42.0,1.0,7.533688383620957e-05,-7.533688383620957e-05,E0,hcp,-23.3273195842 +15,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,6.0,1.0,0.012925599987858546,-0.012925599987858546,E0,hcp,-23.32432196 +16,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,40.0,1.0,4.417182688603388e-06,4.417182688603388e-06,E0,hcp,-23.327338188699997 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+29,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,26.0,1.0,0.00010283133023438387,0.00010283133023438387,E0,hcp,-23.32736114610001 +30,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,18.0,1.0,0.0010482204181468222,0.0010482204181468222,E0,hcp,-23.3275816802 +31,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,12.0,1.0,0.005450953542068146,0.005450953542068146,E0,hcp,-23.3286087206 +32,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,6.0,1.0,0.012754004319962693,-0.012754004319962693,E0,hcp,-23.324361988699998 +33,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,18.0,1.0,0.0010482204181468222,0.0010482204181468222,E0,hcp,-23.3275816802 +34,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,34.0,1.0,2.6901960812809765e-05,2.6901960812809765e-05,E0,hcp,-23.3273434338 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+41,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,22.0,1.0,0.0009418507024965793,-0.0009418507024965793,E0,hcp,-23.3271174496 +42,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,20.0,1.0,0.0002988150273054813,-0.0002988150273054813,E0,hcp,-23.3272674527 +43,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,50.0,1.0,4.076842905371329e-05,-4.076842905371329e-05,E0,hcp,-23.3273276481 +44,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,36.0,1.0,0.00016442034783764462,-0.00016442034783764462,E0,hcp,-23.3272988034 +45,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,10.0,1.0,0.004849097877839418,0.004849097877839418,E0,hcp,-23.328468323699997 +46,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,-23.3273371582889,3.11290360308866e-06,36.0,1.0,0.0001639273640132301,-0.0001639273640132301,E0,hcp,-23.3272989184 +0,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,28.0,1.0,0.027089863919614474,-0.027089863919614474,dB,hcp,3.7302138395999997 +1,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,42.0,1.0,1.2970529265677802,-1.2970529265677802,dB,hcp,3.6828286650999997 +2,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,4.0,1.0,14.91798569030446,-14.91798569030446,dB,hcp,3.1746010679000003 +3,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,34.0,1.0,0.029359190014649376,0.029359190014649376,dB,hcp,3.7323200806 +4,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,34.0,1.0,1.1259780183409889,-1.1259780183409889,dB,hcp,3.6892118542000003 +5,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,10.0,1.0,3.1020875492467463,-3.1020875492467463,dB,hcp,3.6154787688 +6,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,52.0,1.0,0.04240500995600648,-0.04240500995600648,dB,hcp,3.7296423970999997 +7,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,48.0,1.0,0.0049881351516365,0.0049881351516365,dB,hcp,3.7314107418 +8,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,32.0,1.0,0.16238786561461493,0.16238786561461493,dB,hcp,3.7372836793 +9,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,20.0,1.0,0.3623942134890578,0.3623942134890578,dB,hcp,3.7447463654 +10,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,46.0,1.0,0.08259242163440063,-0.08259242163440063,dB,hcp,3.7281429145 +11,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,24.0,1.0,0.7307581377682499,-0.7307581377682499,dB,hcp,3.7039583957 +12,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,22.0,1.0,0.09486009780657992,0.09486009780657992,dB,hcp,3.7347640666000004 +13,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,42.0,1.0,1.2970529265677802,-1.2970529265677802,dB,hcp,3.6828286650999997 +14,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,42.0,1.0,0.041643462506343314,0.041643462506343314,dB,hcp,3.7327784344 +15,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,6.0,1.0,6.757551918861604,6.757551918861604,dB,hcp,3.9833640644 +16,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,40.0,1.0,0.16190758094110164,0.16190758094110164,dB,hcp,3.7372657588 +17,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,30.0,1.0,0.03963598341829908,-0.03963598341829908,dB,hcp,3.7297457157 +18,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,14.0,1.0,3.735187537564223,3.735187537564223,dB,hcp,3.8705928604000004 +19,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,30.0,1.0,0.03963598341829908,-0.03963598341829908,dB,hcp,3.7297457157 +20,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,4.0,1.0,56.54651968720725,-56.54651968720725,dB,hcp,1.6213469571 +21,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,38.0,1.0,0.2233886315777121,0.2233886315777121,dB,hcp,3.7395597549 +22,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,26.0,1.0,0.23207407345485356,-0.23207407345485356,dB,hcp,3.7225654183 +23,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,38.0,1.0,0.2233886315777121,0.2233886315777121,dB,hcp,3.7395597549 +24,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,8.0,1.0,16.21851793517034,16.21851793517034,dB,hcp,4.336373958 +25,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,40.0,1.0,0.16190758094110164,0.16190758094110164,dB,hcp,3.7372657588 +26,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,12.0,1.0,5.658334443607518,5.658334443607518,dB,hcp,3.9423497913 +27,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,24.0,1.0,0.7307581377682499,-0.7307581377682499,dB,hcp,3.7039583957 +28,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,16.0,1.0,1.3831281077297024,1.3831281077297024,dB,hcp,3.7828322398 +29,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,26.0,1.0,0.23207407345485356,-0.23207407345485356,dB,hcp,3.7225654183 +30,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,18.0,1.0,1.7070834098202214,1.7070834098202214,dB,hcp,3.7949197398 +31,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,12.0,1.0,5.658334443607518,5.658334443607518,dB,hcp,3.9423497913 +32,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,6.0,1.0,0.8203417688139654,-0.8203417688139654,dB,hcp,3.7006158292 +33,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,18.0,1.0,1.7070834098202214,1.7070834098202214,dB,hcp,3.7949197398 +34,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,34.0,1.0,1.1259780183409889,-1.1259780183409889,dB,hcp,3.6892118542000003 +35,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,14.0,1.0,3.735187537564223,3.735187537564223,dB,hcp,3.8705928604000004 +36,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,16.0,1.0,1.3831281077297024,1.3831281077297024,dB,hcp,3.7828322398 +37,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,32.0,1.0,0.16238786561461493,0.16238786561461493,dB,hcp,3.7372836793 +38,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,44.0,1.0,0.014834086094079432,-0.014834086094079432,dB,hcp,3.7306711301999997 +39,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,8.0,1.0,16.21851793517034,16.21851793517034,dB,hcp,4.336373958 +40,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,28.0,1.0,0.027089863919614474,-0.027089863919614474,dB,hcp,3.7302138395999997 +41,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,22.0,1.0,0.07428843628794203,0.07428843628794203,dB,hcp,3.7339964917 +42,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,20.0,1.0,0.3886671345532404,0.3886671345532404,dB,hcp,3.7457266670999996 +43,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,50.0,1.0,0.03393960843636842,0.03393960843636842,dB,hcp,3.7324909862999998 +44,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,36.0,1.0,0.04611617902302944,0.04611617902302944,dB,hcp,3.7329453215 +45,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,10.0,1.0,3.1020875492467463,-3.1020875492467463,dB,hcp,3.6154787688 +46,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,3.73122462327298,0.00333501136945536,36.0,1.0,0.07238650040455062,0.07238650040455062,dB,hcp,3.7339255262 +0,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,28.0,1.0,0.00012245229908672246,-0.00012245229908672246,v0,hcp,50.5586114342 +1,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,42.0,1.0,0.0053277261441299325,-0.0053277261441299325,v0,hcp,50.5559797168 +2,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,4.0,1.0,0.2097061211150688,-0.2097061211150688,v0,hcp,50.4526487117 +3,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,34.0,1.0,0.00027007144978698054,0.00027007144978698054,v0,hcp,50.558809888999996 +4,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,34.0,1.0,0.004343498578255264,-0.004343498578255264,v0,hcp,50.5564773292 +5,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,10.0,1.0,0.01231152153754225,-0.01231152153754225,v0,hcp,50.5524488025 +6,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,52.0,1.0,7.672977816127575e-05,-7.672977816127575e-05,v0,hcp,50.5586345509 +7,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,48.0,1.0,0.00017921506223828764,-0.00017921506223828764,v0,hcp,50.5585827357 +8,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,32.0,1.0,0.0007809021317023237,-0.0007809021317023237,v0,hcp,50.558278530699994 +9,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,20.0,1.0,0.005875413941070269,0.005875413941070269,v0,hcp,50.5616438758 +10,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,46.0,1.0,1.592474953770399e-05,1.592474953770399e-05,v0,hcp,50.5586813958 +11,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,24.0,1.0,0.0012481673591369865,-0.0012481673591369865,v0,hcp,50.5580422876 +12,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,22.0,1.0,0.0008142437897902937,-0.0008142437897902937,v0,hcp,50.55826167359999 +13,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,42.0,1.0,0.0053277261441299325,-0.0053277261441299325,v0,hcp,50.5559797168 +14,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,42.0,1.0,0.00017850064476950282,-0.00017850064476950282,v0,hcp,50.558583096899994 +15,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,6.0,1.0,0.06006125800654415,0.06006125800654415,v0,hcp,50.5890395197 +16,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,40.0,1.0,0.00012395764752950731,0.00012395764752950731,v0,hcp,50.5587360158 +17,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,30.0,1.0,0.0008526130718787201,-0.0008526130718787201,v0,hcp,50.5582422746 +18,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,14.0,1.0,0.0033381398886808585,0.0033381398886808585,v0,hcp,50.5603610637 +19,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,30.0,1.0,0.0008526130718787201,-0.0008526130718787201,v0,hcp,50.5582422746 +20,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,4.0,1.0,0.18603355396034732,-0.18603355396034732,v0,hcp,50.4646172476 +21,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,38.0,1.0,0.000544256681784055,-0.000544256681784055,v0,hcp,50.5583981755 +22,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,26.0,1.0,0.0005304406234446711,0.0005304406234446711,v0,hcp,50.558941528199995 +23,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,38.0,1.0,0.000544256681784055,-0.000544256681784055,v0,hcp,50.5583981755 +24,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,8.0,1.0,0.040554884061545185,-0.040554884061545185,v0,hcp,50.5381693331 +25,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,40.0,1.0,0.00012395764752950731,0.00012395764752950731,v0,hcp,50.5587360158 +26,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,12.0,1.0,0.01500272625076826,-0.01500272625076826,v0,hcp,50.55108816510001 +27,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,24.0,1.0,0.0012481673591369865,-0.0012481673591369865,v0,hcp,50.5580422876 +28,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,16.0,1.0,0.0018277442444117077,0.0018277442444117077,v0,hcp,50.559597427700005 +29,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,26.0,1.0,0.0005304406234446711,0.0005304406234446711,v0,hcp,50.558941528199995 +30,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,18.0,1.0,0.00237191876007358,-0.00237191876007358,v0,hcp,50.5574741338 +31,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,12.0,1.0,0.01500272625076826,-0.01500272625076826,v0,hcp,50.55108816510001 +32,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,6.0,1.0,0.07089678124638246,0.07089678124638246,v0,hcp,50.594517816499994 +33,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,18.0,1.0,0.00237191876007358,-0.00237191876007358,v0,hcp,50.5574741338 +34,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,34.0,1.0,0.004343498578255264,-0.004343498578255264,v0,hcp,50.5564773292 +35,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,14.0,1.0,0.0033381398886808585,0.0033381398886808585,v0,hcp,50.5603610637 +36,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,16.0,1.0,0.0018277442444117077,0.0018277442444117077,v0,hcp,50.559597427700005 +37,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,32.0,1.0,0.0007809021317023237,-0.0007809021317023237,v0,hcp,50.558278530699994 +38,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,44.0,1.0,0.00016151186829707381,-0.00016151186829707381,v0,hcp,50.558591686199996 +39,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,8.0,1.0,0.040554884061545185,-0.040554884061545185,v0,hcp,50.5381693331 +40,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,28.0,1.0,0.00012245229908672246,-0.00012245229908672246,v0,hcp,50.5586114342 +41,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,22.0,1.0,0.0007885848886573937,-0.0007885848886573937,v0,hcp,50.5582746464 +42,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,20.0,1.0,0.0058546839667512895,0.0058546839667512895,v0,hcp,50.561633395 +43,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,50.0,1.0,0.00040733833441426135,-0.00040733833441426135,v0,hcp,50.5584673996 +44,TetraBloechl,allKp_without_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,36.0,1.0,7.974070408202771e-05,7.974070408202771e-05,v0,hcp,50.5587136603 +45,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,10.0,1.0,0.01231152153754225,-0.01231152153754225,v0,hcp,50.5524488025 +46,TetraBloechl,allKp_with_spin,VASP,Ti,LDA,50.5586733444579,0.000156226603273091,36.0,1.0,8.480135902575534e-05,8.480135902575534e-05,v0,hcp,50.5587162189 +0,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5468112242466,0.000321652566625156,68.0,1.0,41.09624965719485,-41.09624965719485,B,bcc,38.609530041199996 +1,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5468112242466,0.000321652566625156,68.0,1.0,41.09624965719485,-41.09624965719485,B,bcc,38.609530041199996 +0,TetraBloechl,allKp_without_spin,VASP,Y,LDA,8.214391486481281,0.0311850545258783,68.0,1.0,176.7933768871557,-176.7933768871557,E0,bcc,-6.308108613200001 +1,TetraBloechl,allKp_without_spin,VASP,Y,LDA,8.214391486481281,0.0311850545258783,68.0,1.0,176.7933768871557,-176.7933768871557,E0,bcc,-6.308108613200001 +0,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-7.27610478386974,5.91636297037e-06,68.0,1.0,140.74851747150262,-140.74851747150262,dB,bcc,2.9649048291000004 +1,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-7.27610478386974,5.91636297037e-06,68.0,1.0,140.74851747150262,-140.74851747150262,dB,bcc,2.9649048291000004 +0,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-3.2203541549165497,2.72693568337584e-06,68.0,1.0,1121.171470991586,-1121.171470991586,v0,bcc,32.8853378949 +1,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-3.2203541549165497,2.72693568337584e-06,68.0,1.0,1121.171470991586,-1121.171470991586,v0,bcc,32.8853378949 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+2,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,6.0,1.0,12.797461575488693,12.797461575488693,B,hcp,46.4387927781 +3,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,48.0,1.0,0.0008426910061115133,-0.0008426910061115133,B,hcp,41.1697220788 +4,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,26.0,1.0,0.027424455772996344,-0.027424455772996344,B,hcp,41.1587783479 +5,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,22.0,1.0,1620.6274176015609,1620.6274176015609,B,hcp,708.3834953222 +6,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,42.0,1.0,0.0121012919102857,0.0121012919102857,B,hcp,41.175051125500005 +7,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,28.0,1.0,0.02549866667677824,-0.02549866667677824,B,hcp,41.1595711966 +8,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,22.0,1.0,0.0343572769478469,0.0343572769478469,B,hcp,41.1842139299 +9,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,6.0,1.0,0.004915869992954362,-0.004915869992954362,B,hcp,41.1680451482 +10,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,24.0,1.0,0.0652857662716899,0.0652857662716899,B,hcp,41.1969472103 +11,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,14.0,1.0,0.035862139466725375,-0.035862139466725375,B,hcp,41.1553045477 +12,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,20.0,1.0,0.0018067128595849109,0.0018067128595849109,B,hcp,41.1708128402 +13,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,16.0,1.0,1872191.176900497,-1872191.176900497,B,hcp,-770741.2295586925 +14,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,18.0,1.0,794816.615116877,-794816.615116877,B,hcp,-327185.3789194264 +15,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,48.0,1.0,0.0008426910061115133,-0.0008426910061115133,B,hcp,41.1697220788 +16,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,16.0,1.0,0.028408732238138126,-0.028408732238138126,B,hcp,41.1583731206 +17,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,8.0,1.0,1.1790796738494005,-1.1790796738494005,B,hcp,40.6846410998 +18,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,12.0,1.0,0.07452331730953897,-0.07452331730953897,B,hcp,41.139387714099996 +19,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,10.0,1.0,9694.999421492004,-9694.999421492004,B,hcp,-3950.2678838428997 +20,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,8.0,1.0,11.96071561780122,-11.96071561780122,B,hcp,36.245834140700005 +21,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,26.0,1.0,0.027424455772996344,-0.027424455772996344,B,hcp,41.1587783479 +22,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,4.0,1.0,2.4985633873659507,-2.4985633873659507,B,hcp,40.1414087443 +23,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,14.0,1.0,22.97522615865219,22.97522615865219,B,hcp,50.6289854812 +24,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,42.0,1.0,0.0121012919102857,0.0121012919102857,B,hcp,41.175051125500005 +25,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,18.0,1.0,0.1498243850607144,0.1498243850607144,B,hcp,41.231751818 +26,TetraBloechl,allKp_with_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,12.0,1.0,7554423.420928148,-7554423.420928148,B,hcp,-3110120.166032733 +27,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,10.0,1.0,0.4025215468299045,0.4025215468299045,B,hcp,41.3357874139 +28,TetraBloechl,allKp_without_spin,VASP,Y,LDA,41.1700690152688,0.137126217083347,28.0,1.0,0.02549866667677824,-0.02549866667677824,B,hcp,41.1595711966 +0,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,4.0,1.0,0.2955095724941771,-0.2955095724941771,E0,hcp,-12.8284367567 +1,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,20.0,1.0,0.00758484972646688,-0.00758484972646688,E0,hcp,-12.865482471300002 +2,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,6.0,1.0,0.03564962400517886,-0.03564962400517886,E0,hcp,-12.861871528800002 +3,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,48.0,1.0,1.946668562363194e-06,1.946668562363194e-06,E0,hcp,-12.8664586233 +4,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,26.0,1.0,0.00015557142546913268,-0.00015557142546913268,E0,hcp,-12.866438356300002 +5,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,22.0,1.0,0.11375255756629125,0.11375255756629125,E0,hcp,-12.881094298299999 +6,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,42.0,1.0,9.286683760130356e-06,9.286683760130356e-06,E0,hcp,-12.8664595677 +7,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,28.0,1.0,9.010459191548584e-07,-9.010459191548584e-07,E0,hcp,-12.866458256900001 +8,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,22.0,1.0,5.775736235681542e-06,-5.775736235681542e-06,E0,hcp,-12.866457629700001 +9,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,6.0,1.0,0.09018571802012698,0.09018571802012698,E0,hcp,-12.8780620807 +10,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,24.0,1.0,0.0003201764316705869,0.0003201764316705869,E0,hcp,-12.8664995682 +11,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,14.0,1.0,0.0002511512209866114,0.0002511512209866114,E0,hcp,-12.8664906871 +12,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,20.0,1.0,0.0002708979137066271,0.0002708979137066271,E0,hcp,-12.8664932278 +13,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,16.0,1.0,482.4623666976197,-482.4623666976197,E0,hcp,49.2093612029 +14,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,18.0,1.0,594.5786411687592,-594.5786411687592,E0,hcp,63.6347549869 +15,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,48.0,1.0,1.946668562363194e-06,1.946668562363194e-06,E0,hcp,-12.8664586233 +16,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,16.0,1.0,0.000281117509203193,0.000281117509203193,E0,hcp,-12.8664945427 +17,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,8.0,1.0,0.02124118194381919,-0.02124118194381919,E0,hcp,-12.863725385 +18,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,12.0,1.0,0.0009315381422692283,0.0009315381422692283,E0,hcp,-12.866578228800002 +19,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,10.0,1.0,7.800467430508128,-7.800467430508128,E0,hcp,-11.862814477999999 +20,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,8.0,1.0,0.10147263881307936,-0.10147263881307936,E0,hcp,-12.853402438 +21,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,26.0,1.0,0.00015557142546913268,-0.00015557142546913268,E0,hcp,-12.866438356300002 +22,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,4.0,1.0,0.030911527612729493,-0.030911527612729493,E0,hcp,-12.862481154000001 +23,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,14.0,1.0,0.015973454179429455,-0.015973454179429455,E0,hcp,-12.864403155 +24,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,42.0,1.0,9.286683760130356e-06,9.286683760130356e-06,E0,hcp,-12.8664595677 +25,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,18.0,1.0,4.257918178213026e-05,-4.257918178213026e-05,E0,hcp,-12.8664528944 +26,TetraBloechl,allKp_with_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,12.0,1.0,3280.892737322049,-3280.892737322049,E0,hcp,409.268239932 +27,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,10.0,1.0,0.0005038871678744539,-0.0005038871678744539,E0,hcp,-12.866393540399999 +28,TetraBloechl,allKp_without_spin,VASP,Y,LDA,-12.8664583728327,4.7019502430007895e-05,28.0,1.0,9.010459191548584e-07,-9.010459191548584e-07,E0,hcp,-12.866458256900001 +0,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,4.0,1.0,22.317075602606035,22.317075602606035,dB,hcp,3.7971632912 +1,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,20.0,1.0,4879.803057599363,-4879.803057599363,dB,hcp,-148.382330268 +2,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,6.0,1.0,771.4104874984274,771.4104874984274,dB,hcp,27.0517251855 +3,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,48.0,1.0,0.0410920697007659,0.0410920697007659,dB,hcp,3.1056364007 +4,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,26.0,1.0,0.2682081424516369,-0.2682081424516369,dB,hcp,3.0960346063 +5,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,22.0,1.0,2358.9050980052093,2358.9050980052093,dB,hcp,76.3332848557 +6,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,42.0,1.0,0.03585244122468108,-0.03585244122468108,dB,hcp,3.1032477655 +7,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,28.0,1.0,0.2102116893260038,0.2102116893260038,dB,hcp,3.1108864838 +8,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,22.0,1.0,0.4604853950623702,0.4604853950623702,dB,hcp,3.1186558825 +9,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,6.0,1.0,3.7970097205912783,-3.7970097205912783,dB,hcp,2.986487875 +10,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,24.0,1.0,2.031616856748744,2.031616856748744,dB,hcp,3.167429471 +11,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,14.0,1.0,3.4717162631576217,3.4717162631576217,dB,hcp,3.2121353518 +12,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,20.0,1.0,0.10506205440850944,0.10506205440850944,dB,hcp,3.1076222598000003 +13,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,16.0,1.0,329.42307635742196,329.42307635742196,dB,hcp,13.3308414537 +14,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,18.0,1.0,2547.562385590856,-2547.562385590856,dB,hcp,-75.981166143 +15,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,48.0,1.0,0.0410920697007659,0.0410920697007659,dB,hcp,3.1056364007 +16,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,16.0,1.0,0.16191399719177907,0.16191399719177907,dB,hcp,3.1093871492000003 +17,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,8.0,1.0,4.7874694812454015,-4.7874694812454015,dB,hcp,2.9557404308999997 +18,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,12.0,1.0,2.9200807525442958,2.9200807525442958,dB,hcp,3.1950105955000003 +19,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,10.0,1.0,2176.716633375508,2176.716633375508,dB,hcp,70.67749766029999 +20,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,8.0,1.0,260.50366034272395,-260.50366034272395,dB,hcp,-4.9826126414 +21,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,26.0,1.0,0.2682081424516369,-0.2682081424516369,dB,hcp,3.0960346063 +22,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,4.0,1.0,15.740820179759044,-15.740820179759044,dB,hcp,2.6157089105 +23,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,14.0,1.0,562.0972906884143,562.0972906884143,dB,hcp,20.5538884495 +24,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,42.0,1.0,0.03585244122468108,-0.03585244122468108,dB,hcp,3.1032477655 +25,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,18.0,1.0,0.5419909609421852,0.5419909609421852,dB,hcp,3.1211861093 +26,TetraBloechl,allKp_with_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,12.0,1.0,5522.2128045546115,-5522.2128045546115,dB,hcp,-168.3250463363 +27,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,10.0,1.0,0.4848906716969991,-0.4848906716969991,dB,hcp,3.0893079989 +28,TetraBloechl,allKp_without_spin,VASP,Y,LDA,3.1043607546149503,0.00384503591548195,28.0,1.0,0.2102116893260038,0.2102116893260038,dB,hcp,3.1108864838 +0,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,4.0,1.0,0.9291285827396509,0.9291285827396509,v0,hcp,66.1557296381 +1,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,20.0,1.0,2.0399102198949075,2.0399102198949075,v0,hcp,66.8838105272 +2,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,6.0,1.0,0.556444127008358,-0.556444127008358,v0,hcp,65.1819855077 +3,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,48.0,1.0,7.189900900799182e-05,-7.189900900799182e-05,v0,hcp,65.5466692339 +4,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,26.0,1.0,0.0013886634007300909,0.0013886634007300909,v0,hcp,65.5476265846 +5,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,22.0,1.0,3.3741350481196086,-3.3741350481196086,v0,hcp,63.3350816317 +6,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,42.0,1.0,0.0003112030194892509,0.0003112030194892509,v0,hcp,65.5469203447 +7,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,28.0,1.0,0.0011450706933540337,-0.0011450706933540337,v0,hcp,65.5459658051 +8,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,22.0,1.0,0.0005070132539898082,-0.0005070132539898082,v0,hcp,65.5463840308 +9,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,6.0,1.0,0.056148447523464665,-0.056148447523464665,v0,hcp,65.5099128977 +10,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,24.0,1.0,0.004848396862441008,-0.004848396862441008,v0,hcp,65.54353839640001 +11,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,14.0,1.0,0.002593374855161213,0.002593374855161213,v0,hcp,65.5484162334 +12,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,20.0,1.0,0.0011169739708254004,0.0011169739708254004,v0,hcp,65.54744850109999 +13,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,16.0,1.0,2.3105576209043845,-2.3105576209043845,v0,hcp,64.0322217112 +14,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,18.0,1.0,2.601459917321253,2.601459917321253,v0,hcp,67.2518879146 +15,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,48.0,1.0,7.189900900799182e-05,-7.189900900799182e-05,v0,hcp,65.5466692339 +16,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,16.0,1.0,0.001363358853206013,0.001363358853206013,v0,hcp,65.5476099983 +17,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,8.0,1.0,0.001828406100296955,0.001828406100296955,v0,hcp,65.5479148215 +18,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,12.0,1.0,0.006568684748076714,0.006568684748076714,v0,hcp,65.5510219185 +19,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,10.0,1.0,2.15177510748867,-2.15177510748867,v0,hcp,64.1362984349 +20,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,8.0,1.0,0.3820320050512557,0.3820320050512557,v0,hcp,65.79712579609999 +21,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,26.0,1.0,0.0013886634007300909,0.0013886634007300909,v0,hcp,65.5476265846 +22,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,4.0,1.0,0.8055463528481475,0.8055463528481475,v0,hcp,66.0747255444 +23,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,14.0,1.0,1.0576167832999024,-1.0576167832999024,v0,hcp,64.8534832882 +24,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,42.0,1.0,0.0003112030194892509,0.0003112030194892509,v0,hcp,65.5469203447 +25,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,18.0,1.0,0.0003396356856098357,-0.0003396356856098357,v0,hcp,65.5464937413 +26,TetraBloechl,allKp_with_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,12.0,1.0,3.628686725889707,3.628686725889707,v0,hcp,67.92520135720001 +27,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,10.0,1.0,0.001553553550864371,-0.001553553550864371,v0,hcp,65.545698058 +28,TetraBloechl,allKp_without_spin,VASP,Y,LDA,65.5467163613395,0.000215865888189658,28.0,1.0,0.0011450706933540337,-0.0011450706933540337,v0,hcp,65.5459658051 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,68.0,2.0,0.196613217992016,-0.196613217992016,B,bcc,63.5648379855 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,4.0,2.0,34.37748893059641,34.37748893059641,B,bcc,85.5851047563 +2,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,64.0,2.0,0.3782946063699328,-0.3782946063699328,B,bcc,63.4491249983 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,62.0,2.0,0.20656888390606568,-0.20656888390606568,B,bcc,63.5584972158 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,66.0,2.0,0.2250299085990286,-0.2250299085990286,B,bcc,63.546739377899996 +5,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,68.0,2.0,0.196613217992016,-0.196613217992016,B,bcc,63.5648379855 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,4.0,2.0,34.37748893059641,34.37748893059641,B,bcc,85.5851047563 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,64.0,2.0,0.3782946063699328,-0.3782946063699328,B,bcc,63.4491249983 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,62.0,2.0,0.20656888390606568,-0.20656888390606568,B,bcc,63.5584972158 +9,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,63.690061064099204,0.000160810339079997,66.0,2.0,0.2250299085990286,-0.2250299085990286,B,bcc,63.546739377899996 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,68.0,1.0,0.0004427306797032875,0.0004427306797032875,E0,bcc,-1.0236088804 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,4.0,1.0,7.8888935477620805,7.8888935477620805,E0,bcc,-1.104355406 +2,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,64.0,1.0,0.0006170928756621282,-0.0006170928756621282,E0,bcc,-1.023598032 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,62.0,1.0,0.0004496669534673837,0.0004496669534673837,E0,bcc,-1.0236089514 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,66.0,1.0,0.00041659548592419066,-0.00041659548592419066,E0,bcc,-1.0236000843000002 +5,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,68.0,1.0,0.0004427306797032875,0.0004427306797032875,E0,bcc,-1.0236088804 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,4.0,1.0,7.8888935477620805,7.8888935477620805,E0,bcc,-1.104355406 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,64.0,1.0,0.0006170928756621282,-0.0006170928756621282,E0,bcc,-1.023598032 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,62.0,1.0,0.0004496669534673837,0.0004496669534673837,E0,bcc,-1.0236089514 +9,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-1.02360434858951,2.1473026435270198e-05,66.0,1.0,0.00041659548592419066,-0.00041659548592419066,E0,bcc,-1.0236000843000002 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,68.0,1.0,1.5489479299576103,1.5489479299576103,dB,bcc,5.3076040551 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,4.0,1.0,107.1516642103142,-107.1516642103142,dB,bcc,-0.3737921735 +2,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,64.0,1.0,2.9053448965450244,2.9053448965450244,dB,bcc,5.3784981233 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,62.0,1.0,0.9908354609918864,0.9908354609918864,dB,bcc,5.2784334919 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,66.0,1.0,0.7072195356738462,0.7072195356738462,dB,bcc,5.2636098914 +5,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,68.0,1.0,1.5489479299576103,1.5489479299576103,dB,bcc,5.3076040551 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,4.0,1.0,107.1516642103142,-107.1516642103142,dB,bcc,-0.3737921735 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,64.0,1.0,2.9053448965450244,2.9053448965450244,dB,bcc,5.3784981233 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,62.0,1.0,0.9908354609918864,0.9908354609918864,dB,bcc,5.2784334919 +9,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.22664602961802,0.189693771735286,66.0,1.0,0.7072195356738462,0.7072195356738462,dB,bcc,5.2636098914 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,68.0,1.0,0.009855691120511672,-0.009855691120511672,v0,bcc,15.438272805999999 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,4.0,1.0,1.5284288070536969,-1.5284288070536969,v0,bcc,15.2038082375 +2,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,64.0,1.0,0.011731279554761274,-0.011731279554761274,v0,bcc,15.437983219000001 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,62.0,1.0,0.010618816562150376,-0.010618816562150376,v0,bcc,15.438154980999999 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,66.0,1.0,0.007085316165872211,-0.007085316165872211,v0,bcc,15.438700546199998 +5,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,68.0,1.0,0.009855691120511672,-0.009855691120511672,v0,bcc,15.438272805999999 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,4.0,1.0,1.5284288070536969,-1.5284288070536969,v0,bcc,15.2038082375 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,64.0,1.0,0.011731279554761274,-0.011731279554761274,v0,bcc,15.437983219000001 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,62.0,1.0,0.010618816562150376,-0.010618816562150376,v0,bcc,15.438154980999999 +9,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,66.0,1.0,0.007085316165872211,-0.007085316165872211,v0,bcc,15.438700546199998 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,3.68813320347922,0.00572837190625391,68.0,1.0,1776.9708348005447,1776.9708348005447,B,fcc,69.2251845779 +1,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,3.68813320347922,0.00572837190625391,68.0,1.0,1776.9708348005447,1776.9708348005447,B,fcc,69.2251845779 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,68.0,1.0,120.29408428487619,-120.29408428487619,E0,fcc,-1.0849083815 +1,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,68.0,1.0,120.29408428487619,-120.29408428487619,E0,fcc,-1.0849083815 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,4.89962993604913,0.00477946149175763,68.0,1.0,8.63405397902338,8.63405397902338,dB,fcc,5.3226666295000005 +1,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,4.89962993604913,0.00477946149175763,68.0,1.0,8.63405397902338,8.63405397902338,dB,fcc,5.3226666295000005 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,68.0,1.0,1.396204192314756,-1.396204192314756,v0,fcc,15.224223446300002 +1,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,15.439794504456,0.0010971189890168801,68.0,1.0,1.396204192314756,-1.396204192314756,v0,fcc,15.224223446300002 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,36.0,1.0,0.07394853876982425,0.07394853876982425,B,hcp,74.07213729 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06385903407563677,0.06385903407563677,B,hcp,74.0646693007 +2,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,52.0,1.0,0.039952263097777864,0.039952263097777864,B,hcp,74.04697412979999 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06965604431233005,0.06965604431233005,B,hcp,74.0689600971 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,38.0,1.0,0.1773087246362568,0.1773087246362568,B,hcp,74.1486418148 +5,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,54.0,1.0,0.014495494063804513,0.014495494063804513,B,hcp,74.0281316906 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,28.0,1.0,0.014174402045176972,-0.014174402045176972,B,hcp,74.0069109782 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.11009709788619984,0.11009709788619984,B,hcp,74.09889351449999 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.30817810254618555,0.30817810254618555,B,hcp,74.245507929 +9,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,50.0,1.0,0.08859003662521812,0.08859003662521812,B,hcp,74.08297454640001 +10,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.08833768083631895,0.08833768083631895,B,hcp,74.0827877592 +11,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,48.0,1.0,0.06704058182033079,0.06704058182033079,B,hcp,74.0670241997 +12,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.2957070645363185,0.2957070645363185,B,hcp,74.2362771906 +13,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,36.0,1.0,0.07394853876982425,0.07394853876982425,B,hcp,74.07213729 +14,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06385903407563677,0.06385903407563677,B,hcp,74.0646693007 +15,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,52.0,1.0,0.039952263097777864,0.039952263097777864,B,hcp,74.04697412979999 +16,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06965604431233005,0.06965604431233005,B,hcp,74.0689600971 +17,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,28.0,1.0,0.014174402045176972,-0.014174402045176972,B,hcp,74.0069109782 +18,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.11009709788619984,0.11009709788619984,B,hcp,74.09889351449999 +19,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.30817810254618555,0.30817810254618555,B,hcp,74.245507929 +20,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,50.0,1.0,0.08859003662521812,0.08859003662521812,B,hcp,74.08297454640001 +21,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,38.0,1.0,0.1773087246362568,0.1773087246362568,B,hcp,74.1486418148 +22,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,54.0,1.0,0.014495494063804513,0.014495494063804513,B,hcp,74.0281316906 +23,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.08833768083631895,0.08833768083631895,B,hcp,74.0827877592 +24,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,48.0,1.0,0.06704058182033079,0.06704058182033079,B,hcp,74.0670241997 +25,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.2957070645363185,0.2957070645363185,B,hcp,74.2362771906 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,36.0,1.0,0.0002993207505479484,0.0002993207505479484,E0,hcp,-2.2143799408000002 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,0.002548916248932631,-0.002548916248932631,E0,hcp,-2.2143168702 +2,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,52.0,1.0,0.0032336291613086197,-0.0032336291613086197,E0,hcp,-2.2143017081 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,0.0023429121405126657,-0.0023429121405126657,E0,hcp,-2.2143214319 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,38.0,1.0,0.005390993492128586,-0.005390993492128586,E0,hcp,-2.214253936 +5,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,54.0,1.0,0.00028812570957563336,0.00028812570957563336,E0,hcp,-2.2143796928999997 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,28.0,1.0,0.012887746593606624,-0.012887746593606624,E0,hcp,-2.2140879299000003 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,0.002055264165200781,-0.002055264165200781,E0,hcp,-2.2143278015 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,0.01750320593884493,-0.01750320593884493,E0,hcp,-2.2139857264 +9,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,50.0,1.0,0.0020178540322774263,-0.0020178540322774263,E0,hcp,-2.2143286299000002 +10,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,0.0019875926487732238,-0.0019875926487732238,E0,hcp,-2.2143292999999997 +11,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,48.0,1.0,0.0007439747726887348,0.0007439747726887348,E0,hcp,-2.2143897871 +12,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,0.017485878237232345,-0.017485878237232345,E0,hcp,-2.2139861101 +13,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,36.0,1.0,0.0002993207505479484,0.0002993207505479484,E0,hcp,-2.2143799408000002 +14,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,0.002548916248932631,-0.002548916248932631,E0,hcp,-2.2143168702 +15,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,52.0,1.0,0.0032336291613086197,-0.0032336291613086197,E0,hcp,-2.2143017081 +16,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,0.0023429121405126657,-0.0023429121405126657,E0,hcp,-2.2143214319 +17,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,28.0,1.0,0.012887746593606624,-0.012887746593606624,E0,hcp,-2.2140879299000003 +18,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,0.002055264165200781,-0.002055264165200781,E0,hcp,-2.2143278015 +19,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,0.01750320593884493,-0.01750320593884493,E0,hcp,-2.2139857264 +20,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,50.0,1.0,0.0020178540322774263,-0.0020178540322774263,E0,hcp,-2.2143286299000002 +21,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,38.0,1.0,0.005390993492128586,-0.005390993492128586,E0,hcp,-2.214253936 +22,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,54.0,1.0,0.00028812570957563336,0.00028812570957563336,E0,hcp,-2.2143796928999997 +23,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,0.0019875926487732238,-0.0019875926487732238,E0,hcp,-2.2143292999999997 +24,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,48.0,1.0,0.0007439747726887348,0.0007439747726887348,E0,hcp,-2.2143897871 +25,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,0.017485878237232345,-0.017485878237232345,E0,hcp,-2.2139861101 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,36.0,1.0,0.7606700944845829,0.7606700944845829,dB,hcp,5.3865990688 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.5205168949084061,0.5205168949084061,dB,hcp,5.3737606369 +2,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,52.0,1.0,0.28152743581789624,0.28152743581789624,dB,hcp,5.3609844178 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.7720503880559201,0.7720503880559201,dB,hcp,5.387207451799999 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,38.0,1.0,1.5472325698478866,-1.5472325698478866,dB,hcp,5.2632201122 +5,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,54.0,1.0,0.2421112207605404,0.2421112207605404,dB,hcp,5.3588772529 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,28.0,1.0,1.5472516730794657,1.5472516730794657,dB,hcp,5.428649202000001 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.6145440146273045,0.6145440146273045,dB,hcp,5.3787872648000015 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.2490622423228948,1.2490622423228948,dB,hcp,5.4127081914 +9,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,50.0,1.0,0.939200953494714,-0.939200953494714,dB,hcp,5.295725082 +10,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.3137908598096932,0.3137908598096932,dB,hcp,5.3627091992 +11,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,48.0,1.0,0.16190551708898074,0.16190551708898074,dB,hcp,5.3545895088 +12,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.3310356669840933,1.3310356669840933,dB,hcp,5.4170904367 +13,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,36.0,1.0,0.7606700944845829,0.7606700944845829,dB,hcp,5.3865990688 +14,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.5205168949084061,0.5205168949084061,dB,hcp,5.3737606369 +15,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,52.0,1.0,0.28152743581789624,0.28152743581789624,dB,hcp,5.3609844178 +16,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.7720503880559201,0.7720503880559201,dB,hcp,5.387207451799999 +17,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,28.0,1.0,1.5472516730794657,1.5472516730794657,dB,hcp,5.428649202000001 +18,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.6145440146273045,0.6145440146273045,dB,hcp,5.3787872648000015 +19,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.2490622423228948,1.2490622423228948,dB,hcp,5.4127081914 +20,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,50.0,1.0,0.939200953494714,-0.939200953494714,dB,hcp,5.295725082 +21,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,38.0,1.0,1.5472325698478866,-1.5472325698478866,dB,hcp,5.2632201122 +22,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,54.0,1.0,0.2421112207605404,0.2421112207605404,dB,hcp,5.3588772529 +23,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.3137908598096932,0.3137908598096932,dB,hcp,5.3627091992 +24,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,48.0,1.0,0.16190551708898074,0.16190551708898074,dB,hcp,5.3545895088 +25,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.3310356669840933,1.3310356669840933,dB,hcp,5.4170904367 +0,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,36.0,1.0,0.0808064197844657,-0.0808064197844657,v0,hcp,30.590538774499997 +1,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.0943122756372162,-0.0943122756372162,v0,hcp,30.586403919200002 +2,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,52.0,1.0,0.05102993258613031,-0.05102993258613031,v0,hcp,30.5996549288 +3,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.09947066977611957,-0.09947066977611957,v0,hcp,30.5848246625 +4,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,38.0,1.0,0.029872219354048418,-0.029872219354048418,v0,hcp,30.6061324215 +5,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,54.0,1.0,0.019286055112025108,-0.019286055112025108,v0,hcp,30.6093734051 +6,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,28.0,1.0,0.16906937007344858,-0.16906937007344858,v0,hcp,30.563516826999997 +7,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08218933684173887,-0.08218933684173887,v0,hcp,30.5901153906 +8,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.42645711516388013,-0.42645711516388013,v0,hcp,30.484716853600002 +9,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,50.0,1.0,0.021408838065206444,-0.021408838065206444,v0,hcp,30.6087235092 +10,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08081172791854117,-0.08081172791854117,v0,hcp,30.5905371494 +11,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,48.0,1.0,0.03982080911206245,-0.03982080911206245,v0,hcp,30.6030866331 +12,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.4261850866024717,-0.4261850866024717,v0,hcp,30.484800135900002 +13,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,36.0,1.0,0.0808064197844657,-0.0808064197844657,v0,hcp,30.590538774499997 +14,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.0943122756372162,-0.0943122756372162,v0,hcp,30.586403919200002 +15,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,52.0,1.0,0.05102993258613031,-0.05102993258613031,v0,hcp,30.5996549288 +16,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.09947066977611957,-0.09947066977611957,v0,hcp,30.5848246625 +17,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,28.0,1.0,0.16906937007344858,-0.16906937007344858,v0,hcp,30.563516826999997 +18,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08218933684173887,-0.08218933684173887,v0,hcp,30.5901153906 +19,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.42645711516388013,-0.42645711516388013,v0,hcp,30.484716853600002 +20,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,50.0,1.0,0.021408838065206444,-0.021408838065206444,v0,hcp,30.6087235092 +21,TetraBloechl,allKp_with_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,38.0,1.0,0.029872219354048418,-0.029872219354048418,v0,hcp,30.6061324215 +22,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,54.0,1.0,0.019286055112025108,-0.019286055112025108,v0,hcp,30.6093734051 +23,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08081172791854117,-0.08081172791854117,v0,hcp,30.5905371494 +24,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,48.0,1.0,0.03982080911206245,-0.03982080911206245,v0,hcp,30.6030866331 +25,TetraBloechl,allKp_without_spin,VASP,Zn,LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.4261850866024717,-0.4261850866024717,v0,hcp,30.484800135900002 +0,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,30.0,1.0,2.437115308555306,-2.437115308555306,B,bcc,35.0380887506 +1,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,26.0,1.0,3.428800684271474,-3.428800684271474,B,bcc,34.6819414276 +2,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,34.0,1.0,1.8710866634637564,-1.8710866634637564,B,bcc,35.2413685323 +3,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,40.0,1.0,0.4642199756918818,-0.4642199756918818,B,bcc,35.7466213241 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,50.0,1.0,0.837199303321407,-0.837199303321407,B,bcc,35.6126719967 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,6.0,1.0,19.80665542683793,-19.80665542683793,B,bcc,28.8001070617 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,66.0,1.0,0.2196807992538098,-0.2196807992538098,B,bcc,35.8344435056 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,14.0,1.0,10.801547374429633,-10.801547374429633,B,bcc,32.0341419731 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,4.0,1.0,25.301549209991244,25.301549209991244,B,bcc,44.999969155200006 +9,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,44.0,1.0,1.0924785529239742,-1.0924785529239742,B,bcc,35.5209926964 +10,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,22.0,1.0,6.188787948593376,-6.188787948593376,B,bcc,33.6907378667 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,12.0,1.0,10.160668057869456,-10.160668057869456,B,bcc,32.2643031296 +12,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,8.0,1.0,34.73556143843749,-34.73556143843749,B,bcc,23.4386385541 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,10.0,1.0,5.828172586612297,-5.828172586612297,B,bcc,33.8202468813 +14,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,68.0,1.0,0.2237926935344264,-0.2237926935344264,B,bcc,35.8329667871 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,26.0,1.0,3.4255949683529656,-3.4255949683529656,B,bcc,34.6830927072 +16,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,14.0,1.0,10.801033184133825,-10.801033184133825,B,bcc,32.034326635999996 +17,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,42.0,1.0,1.0782775581024855,-1.0782775581024855,B,bcc,35.5260927477 +18,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,42.0,1.0,1.085385691534103,-1.085385691534103,B,bcc,35.5235399797 +19,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,60.0,1.0,0.3824270957737266,-0.3824270957737266,B,bcc,35.7759958777 +20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,54.0,1.0,0.4874597969255928,-0.4874597969255928,B,bcc,35.7382751285 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,12.0,1.0,10.161594311502627,-10.161594311502627,B,bcc,32.263970481 +22,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,24.0,1.0,1.622503907196536,-1.622503907196536,B,bcc,35.3306428983 +23,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,30.0,1.0,2.4399385153370075,-2.4399385153370075,B,bcc,35.0370748428 +24,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,16.0,1.0,2.7540012410792487,-2.7540012410792487,B,bcc,34.9242844339 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,48.0,1.0,0.6900523826284117,-0.6900523826284117,B,bcc,35.665517368 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,20.0,1.0,2.3276724646019895,-2.3276724646019895,B,bcc,35.0773933293 +27,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,52.0,1.0,0.20890919991947424,-0.20890919991947424,B,bcc,35.8383119465 +28,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,50.0,1.0,0.8361096513440072,-0.8361096513440072,B,bcc,35.6130633271 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,36.0,1.0,1.2900358673601142,-1.2900358673601142,B,bcc,35.4500432699 +30,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,56.0,1.0,0.5193511723019084,-0.5193511723019084,B,bcc,35.726821871 +31,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,58.0,1.0,0.17143674353070326,-0.17143674353070326,B,bcc,35.8517695565 +32,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,46.0,1.0,0.29004844497194465,-0.29004844497194465,B,bcc,35.809172135 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,34.0,1.0,1.8688586759254615,-1.8688586759254615,B,bcc,35.242168676999995 +34,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,56.0,1.0,0.5189353078698388,-0.5189353078698388,B,bcc,35.7269712218 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,54.0,1.0,0.4893625573872627,-0.4893625573872627,B,bcc,35.7375917837 +36,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,40.0,1.0,0.4641145418840476,-0.4641145418840476,B,bcc,35.7466591889 +37,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,32.0,1.0,1.8382607767980772,-1.8382607767980772,B,bcc,35.253157404 +38,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,36.0,1.0,1.2926473667267535,-1.2926473667267535,B,bcc,35.4491053933 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,46.0,1.0,0.290326106991002,-0.290326106991002,B,bcc,35.8090724173 +40,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,20.0,1.0,2.332974310363745,-2.332974310363745,B,bcc,35.075489259499996 +41,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,18.0,1.0,4.777648935339363,-4.777648935339363,B,bcc,34.1975249932 +42,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,24.0,1.0,1.6222158690882929,-1.6222158690882929,B,bcc,35.3307463424 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,28.0,1.0,2.471379025636315,-2.471379025636315,B,bcc,35.025783505999996 +44,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,28.0,1.0,2.4710564418672614,-2.4710564418672614,B,bcc,35.0258993566 +45,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,6.0,1.0,19.80669975521505,-19.80669975521505,B,bcc,28.8000911419 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,22.0,1.0,6.189175565581713,-6.189175565581713,B,bcc,33.6905986605 +47,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,10.0,1.0,5.829259131109147,-5.829259131109147,B,bcc,33.8198566669 +48,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,38.0,1.0,1.9437929884630916,-1.9437929884630916,B,bcc,35.2152572639 +49,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,52.0,1.0,0.21177148828116607,-0.21177148828116607,B,bcc,35.837284003200004 +50,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,18.0,1.0,4.777902936789887,-4.777902936789887,B,bcc,34.197433772800004 +51,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,44.0,1.0,1.0929337656892852,-1.0929337656892852,B,bcc,35.5208292143 +52,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,16.0,1.0,2.7567628192263163,-2.7567628192263163,B,bcc,34.923292659 +53,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,38.0,1.0,1.9526620052640888,-1.9526620052640888,B,bcc,35.2120721039 +54,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,8.0,1.0,35.503163581844824,-35.503163581844824,B,bcc,23.1629670002 +55,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,4.0,1.0,2763.559006029338,-2763.559006029338,B,bcc,-956.5729543655 +56,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,6.0,1.0,4879.479922917924,4879.479922917924,B,bcc,1788.2974660170999 +57,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,48.0,1.0,0.6901776352566626,-0.6901776352566626,B,bcc,35.6654723856 +58,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,4.0,1.0,2763.559006029338,-2763.559006029338,B,bcc,-956.5729543655 +59,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,6.0,1.0,4879.479922917924,4879.479922917924,B,bcc,1788.2974660170999 +60,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,32.0,1.0,1.8383670626570217,-1.8383670626570217,B,bcc,35.2531192332 +61,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,35.9133382140273,0.0154442516461313,62.0,1.0,0.3288514755255241,-0.3288514755255241,B,bcc,35.7952366714 +0,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,30.0,2.0,0.03979965916731059,-0.03979965916731059,E0,bcc,-0.6903088564000001 +1,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,26.0,2.0,0.06485722980009756,-0.06485722980009756,E0,bcc,-0.6901358129 +2,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,34.0,2.0,0.0070064296262894645,-0.0070064296262894645,E0,bcc,-0.6905353211 +3,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,40.0,2.0,0.004482390926929707,-0.004482390926929707,E0,bcc,-0.6905527517000001 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,50.0,2.0,0.007352209577086249,-0.007352209577086249,E0,bcc,-0.6905329332 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,5.9114419128842055,-5.9114419128842055,E0,bcc,-0.6497602517000001 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,66.0,2.0,0.0034436319852080557,-0.0034436319852080557,E0,bcc,-0.6905599252 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,0.3425281018951503,-0.3425281018951503,E0,bcc,-0.6882182631 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,4.0,2.0,8.144942752119835,8.144942752119835,E0,bcc,-0.7468313539 +9,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,44.0,2.0,0.0096377978199747,-0.0096377978199747,E0,bcc,-0.6905171493000001 +10,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,22.0,2.0,0.0215119847208023,-0.0215119847208023,E0,bcc,-0.6904351481000001 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,12.0,2.0,0.7442453846003566,-0.7442453846003566,E0,bcc,-0.6854440690000001 +12,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,8.0,2.0,1.3614133485617952,-1.3614133485617952,E0,bcc,-0.6811820076 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,10.0,2.0,0.7901505622473324,0.7901505622473324,E0,bcc,-0.6960403573999999 +14,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,68.0,2.0,0.002082609430882419,-0.002082609430882419,E0,bcc,-0.6905693242000001 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,26.0,2.0,0.06486438316899919,-0.06486438316899919,E0,bcc,-0.6901357634999999 +16,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,0.34253147585253085,-0.34253147585253085,E0,bcc,-0.6882182398000001 +17,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,42.0,2.0,0.015875883022852876,-0.015875883022852876,E0,bcc,-0.6904740701000001 +18,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,42.0,2.0,0.015878692240617956,-0.015878692240617956,E0,bcc,-0.6904740506999999 +19,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,60.0,2.0,0.004620129479307464,-0.004620129479307464,E0,bcc,-0.6905518005 +20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,54.0,2.0,0.0054820959498571254,-0.0054820959498571254,E0,bcc,-0.6905458479000001 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,12.0,2.0,0.7442442551210615,-0.7442442551210615,E0,bcc,-0.6854440768000001 +22,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,24.0,2.0,0.06847288128014896,-0.06847288128014896,E0,bcc,-0.6901108438 +23,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,30.0,2.0,0.03980203396994112,-0.03980203396994112,E0,bcc,-0.69030884 +24,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,54.0,2.0,0.005487685424329021,-0.005487685424329021,E0,bcc,-0.6905458093000001 +25,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,16.0,2.0,0.09844048336805213,0.09844048336805213,E0,bcc,-0.6912635203 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,48.0,2.0,0.008409271875659352,-0.008409271875659352,E0,bcc,-0.6905256332999999 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,20.0,2.0,0.10352799447931654,-0.10352799447931654,E0,bcc,-0.6898687589 +28,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,52.0,2.0,0.00478792955760092,-0.00478792955760092,E0,bcc,-0.6905506417 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,50.0,2.0,0.007355887625056135,-0.007355887625056135,E0,bcc,-0.6905329078 +30,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,36.0,2.0,0.022326208970268567,-0.022326208970268567,E0,bcc,-0.6904295252 +31,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,56.0,2.0,0.005110931675880595,-0.005110931675880595,E0,bcc,-0.6905484111 +32,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,58.0,2.0,0.002988813840621925,-0.002988813840621925,E0,bcc,-0.6905630661000001 +33,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,46.0,2.0,0.005637877209995958,-0.005637877209995958,E0,bcc,-0.6905447721 +34,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,34.0,2.0,0.006998682556762356,-0.006998682556762356,E0,bcc,-0.6905353745999999 +35,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,56.0,2.0,0.005109049210372553,-0.005109049210372553,E0,bcc,-0.6905484241000001 +36,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,32.0,2.0,0.034974147112356524,-0.034974147112356524,E0,bcc,-0.6903421806000001 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,40.0,2.0,0.004483607289271089,-0.004483607289271089,E0,bcc,-0.6905527432999999 +38,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,36.0,2.0,0.022336272920438268,-0.022336272920438268,E0,bcc,-0.6904294556999999 +39,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,20.0,2.0,0.10353461206956456,-0.10353461206956456,E0,bcc,-0.6898687132 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,46.0,2.0,0.005642699217766043,-0.005642699217766043,E0,bcc,-0.6905447388 +41,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,18.0,2.0,0.2226997896460572,-0.2226997896460572,E0,bcc,-0.6890457779000001 +42,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,24.0,2.0,0.06847777569044415,-0.06847777569044415,E0,bcc,-0.69011081 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,28.0,2.0,0.010312763064180684,-0.010312763064180684,E0,bcc,-0.6905124881 +44,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,28.0,2.0,0.010310793715658592,-0.010310793715658592,E0,bcc,-0.6905125017 +45,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,5.91144220249429,-5.91144220249429,E0,bcc,-0.6497602497 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,22.0,2.0,0.021509421671638652,-0.021509421671638652,E0,bcc,-0.6904351658 +47,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,10.0,2.0,0.7901433799174528,0.7901433799174528,E0,bcc,-0.6960403078 +48,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,38.0,2.0,0.02138591745452297,-0.02138591745452297,E0,bcc,-0.6904360187 +49,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,52.0,2.0,0.004793605915102941,-0.004793605915102941,E0,bcc,-0.6905506025 +50,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,18.0,2.0,0.22269653153270072,-0.22269653153270072,E0,bcc,-0.6890458004000001 +51,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,44.0,2.0,0.009642084049107236,-0.009642084049107236,E0,bcc,-0.6905171197000001 +52,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,16.0,2.0,0.09843584960683123,0.09843584960683123,E0,bcc,-0.6912634883000001 +53,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,38.0,2.0,0.02138895836033624,-0.02138895836033624,E0,bcc,-0.6904359977 +54,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,8.0,2.0,1.3624575811339807,-1.3624575811339807,E0,bcc,-0.6811747963 +55,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,4.0,2.0,103.68363825640093,-103.68363825640093,E0,bcc,0.0254386056 +56,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,75.61797168514748,75.61797168514748,E0,bcc,-1.2127890979 +57,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,2817.0036089413375,-2817.0036089413375,E0,bcc,18.7631842246 +58,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,48.0,2.0,0.008408982265575009,-0.008408982265575009,E0,bcc,-0.6905256353 +59,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,4.0,2.0,103.68363825640093,-103.68363825640093,E0,bcc,0.0254386056 +60,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,75.61797168514748,75.61797168514748,E0,bcc,-1.2127890979 +61,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,2817.0036089413375,-2817.0036089413375,E0,bcc,18.7631842246 +62,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,32.0,2.0,0.03498283541466177,-0.03498283541466177,E0,bcc,-0.6903421206 +63,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.6905837063613969,2.63052778155643e-06,62.0,2.0,0.0033352743751064685,-0.0033352743751064685,E0,bcc,-0.6905606734999999 +0,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,30.0,1.0,98.42329020791536,-98.42329020791536,dB,bcc,6.3867223206 +1,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,26.0,1.0,98.39923669328077,-98.39923669328077,dB,bcc,6.4841550375 +2,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,34.0,1.0,98.48448381251221,-98.48448381251221,dB,bcc,6.1388475612 +3,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,40.0,1.0,98.54540550339942,-98.54540550339942,dB,bcc,5.892074233 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,50.0,1.0,98.49481830908672,-98.49481830908672,dB,bcc,6.096985983200001 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,6.0,1.0,97.89366488683777,-97.89366488683777,dB,bcc,8.5320567865 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,66.0,1.0,98.49756169610536,-98.49756169610536,dB,bcc,6.0858734429 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,14.0,1.0,98.30928114023995,-98.30928114023995,dB,bcc,6.848534799299999 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,4.0,1.0,98.67635158406496,-98.67635158406496,dB,bcc,5.3616555976999996 +9,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,44.0,1.0,98.48966912220659,-98.48966912220659,dB,bcc,6.1178436115 +10,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,22.0,1.0,98.1289862401377,-98.1289862401377,dB,bcc,7.5788489437 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,12.0,1.0,97.94306854285801,-97.94306854285801,dB,bcc,8.3319391528 +12,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,8.0,1.0,96.30091604197042,-96.30091604197042,dB,bcc,14.9837479282 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,10.0,1.0,97.90500130207005,-97.90500130207005,dB,bcc,8.4861367722 +14,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,68.0,1.0,98.50080542975093,-98.50080542975093,dB,bcc,6.0727341663 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,26.0,1.0,98.39934986582428,-98.39934986582428,dB,bcc,6.4836966135 +16,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,14.0,1.0,98.3092689362916,-98.3092689362916,dB,bcc,6.8485842334 +17,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,42.0,1.0,98.49224995053731,-98.49224995053731,dB,bcc,6.107389541900001 +18,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,42.0,1.0,98.49085724063654,-98.49085724063654,dB,bcc,6.1130309424 +19,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,60.0,1.0,98.49070514850305,-98.49070514850305,dB,bcc,6.1136470166 +20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,54.0,1.0,98.49915689530336,-98.49915689530336,dB,bcc,6.0794118262 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,12.0,1.0,97.9428324648246,-97.9428324648246,dB,bcc,8.3328954257 +22,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,24.0,1.0,98.55899486295408,-98.55899486295408,dB,bcc,5.8370282972000025 +23,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,30.0,1.0,98.42266310420824,-98.42266310420824,dB,bcc,6.3892625073 +24,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,16.0,1.0,98.30926998695871,-98.30926998695871,dB,bcc,6.8485799775 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,48.0,1.0,98.49450641761507,-98.49450641761507,dB,bcc,6.0982493509000015 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,20.0,1.0,98.6436454483025,-98.6436454483025,dB,bcc,5.494137179500001 +27,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,52.0,1.0,98.51747323058822,-98.51747323058822,dB,bcc,6.0052184978 +28,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,50.0,1.0,98.49462824044308,-98.49462824044308,dB,bcc,6.0977558875 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,36.0,1.0,98.45828764422586,-98.45828764422586,dB,bcc,6.2449594491 +30,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,56.0,1.0,98.50134381603813,-98.50134381603813,dB,bcc,6.0705533440999995 +31,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,58.0,1.0,98.50581474901043,-98.50581474901043,dB,bcc,6.0524430948 +32,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,46.0,1.0,98.53946049308573,-98.53946049308573,dB,bcc,5.916155475 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,34.0,1.0,98.48476926234669,-98.48476926234669,dB,bcc,6.1376912997 +34,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,56.0,1.0,98.5013546243883,-98.5013546243883,dB,bcc,6.070509563099999 +35,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,40.0,1.0,98.54537009562836,-98.54537009562836,dB,bcc,5.892217658 +36,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,32.0,1.0,98.49070029016431,-98.49070029016431,dB,bcc,6.1136666961 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,36.0,1.0,98.45823301936069,-98.45823301936069,dB,bcc,6.2451807161 +38,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,46.0,1.0,98.53955904666964,-98.53955904666964,dB,bcc,5.9157562675 +39,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,54.0,1.0,98.49896142342271,-98.49896142342271,dB,bcc,6.0802036172000005 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,18.0,1.0,98.39525273772136,-98.39525273772136,dB,bcc,6.5002927047000005 +41,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,24.0,1.0,98.55855003988441,-98.55855003988441,dB,bcc,5.8388301262 +42,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,20.0,1.0,98.64309632935638,-98.64309632935638,dB,bcc,5.4963614761000015 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,28.0,1.0,98.50111183086409,-98.50111183086409,dB,bcc,6.071493038200001 +44,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,28.0,1.0,98.50110773657283,-98.50110773657283,dB,bcc,6.0715096228 +45,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,6.0,1.0,97.89367074960428,-97.89367074960428,dB,bcc,8.5320330384 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,22.0,1.0,98.12909346945877,-98.12909346945877,dB,bcc,7.5784145937 +47,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,10.0,1.0,97.90501815288565,-97.90501815288565,dB,bcc,8.4860685152 +48,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,38.0,1.0,98.45871915076428,-98.45871915076428,dB,bcc,6.2432115609000025 +49,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,52.0,1.0,98.51700651088879,-98.51700651088879,dB,bcc,6.0071090227 +50,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,18.0,1.0,98.39509257691162,-98.39509257691162,dB,bcc,6.5009414624 +51,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,44.0,1.0,98.4895920527028,-98.4895920527028,dB,bcc,6.1181557942 +52,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,16.0,1.0,98.30875856772869,-98.30875856772869,dB,bcc,6.8506515652 +53,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,38.0,1.0,98.4574502731643,-98.4574502731643,dB,bcc,6.248351358300001 +54,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,8.0,1.0,96.25354571235347,-96.25354571235347,dB,bcc,15.175629238900001 +55,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,4.0,1.0,97.09897876767269,-97.09897876767269,dB,bcc,11.7510636073 +56,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,6.0,1.0,97.69536297907129,-97.69536297907129,dB,bcc,9.3353112769 +57,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,14.0,1.0,103.15572664067551,-103.15572664067551,dB,bcc,-12.782789753 +58,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,48.0,1.0,98.49449883811786,-98.49449883811786,dB,bcc,6.0982800529 +59,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,4.0,1.0,97.09897876767269,-97.09897876767269,dB,bcc,11.7510636073 +60,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,6.0,1.0,97.69536297907129,-97.69536297907129,dB,bcc,9.3353112769 +61,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,14.0,1.0,103.15572664067551,-103.15572664067551,dB,bcc,-12.782789753 +62,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,32.0,1.0,98.49061207404488,-98.49061207404488,dB,bcc,6.11402403 +63,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,405.066446131207,0.007087198174695121,62.0,1.0,98.50461179318764,-98.50461179318764,dB,bcc,6.0573158652 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+20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,34.0,1.0,0.4438793920370669,0.4438793920370669,B,fcc,41.775585210500005 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,12.0,1.0,2.3026088601533177,-2.3026088601533177,B,fcc,40.6332940654 +22,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,38.0,1.0,0.08424362746595276,0.08424362746595276,B,fcc,41.6260092023 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,56.0,1.0,0.2334496491642233,0.2334496491642233,B,fcc,41.6880654362 +24,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,30.0,1.0,0.6417470897912294,0.6417470897912294,B,fcc,41.8578803082 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,66.0,1.0,0.04267121906923939,-0.04267121906923939,B,fcc,41.5732240847 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,64.0,1.0,0.05996276083342349,-0.05996276083342349,B,fcc,41.566032364499996 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,10.0,1.0,3.6309779929623187,-3.6309779929623187,B,fcc,40.0808124385 +28,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,48.0,1.0,0.028228393645249587,-0.028228393645249587,B,fcc,41.5792309961 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,18.0,1.0,0.685606742376353,-0.685606742376353,B,fcc,41.305820954699996 +30,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,16.0,1.0,1.8646483684670665,-1.8646483684670665,B,fcc,40.815446088499996 +31,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,28.0,1.0,0.09228356493959873,0.09228356493959873,B,fcc,41.6293530904 +32,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,50.0,1.0,0.18257436335674307,0.18257436335674307,B,fcc,41.6669059106 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,68.0,1.0,0.020962789878900986,0.020962789878900986,B,fcc,41.599690087199996 +34,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,22.0,1.0,0.7315233936137722,0.7315233936137722,B,fcc,41.8952191451 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,52.0,1.0,0.038991405046384715,-0.038991405046384715,B,fcc,41.5747545551 +36,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,28.0,1.0,0.09223559587491403,0.09223559587491403,B,fcc,41.6293331396 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,4.0,1.0,6.9434391134274005,6.9434391134274005,B,fcc,44.4788152392 +38,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,18.0,1.0,0.6855986771644026,-0.6855986771644026,B,fcc,41.3058243091 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,6.0,1.0,13.403753008768211,-13.403753008768211,B,fcc,36.0162203709 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,46.0,1.0,0.053328087001122994,-0.053328087001122994,B,fcc,41.5687917898 +41,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,58.0,1.0,0.00949716754817607,-0.00949716754817607,B,fcc,41.587021495 +42,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,34.0,1.0,0.4428732154912415,0.4428732154912415,B,fcc,41.7751667319 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,44.0,1.0,0.07056729865797114,-0.07056729865797114,B,fcc,41.561621834200004 +44,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,8.0,1.0,3.588927784046334,3.588927784046334,B,fcc,43.083641389600004 +45,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,36.0,1.0,0.4773122095475318,-0.4773122095475318,B,fcc,41.3924526744 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,42.0,1.0,0.0030260042298781422,0.0030260042298781422,B,fcc,41.592230003800005 +47,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,70.0,1.0,0.028411846708553495,0.028411846708553495,B,fcc,41.6027882223 +48,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,24.0,1.0,0.8170246693770623,0.8170246693770623,B,fcc,41.9307799563 +49,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,36.0,1.0,0.4764757126161178,-0.4764757126161178,B,fcc,41.3928005816 +50,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,56.0,1.0,0.2336440954518728,0.2336440954518728,B,fcc,41.6881463083 +51,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,54.0,1.0,0.14569790129518362,-0.14569790129518362,B,fcc,41.5303742867 +52,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,30.0,1.0,0.6398810287862362,0.6398810287862362,B,fcc,41.8571041953 +53,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,26.0,1.0,0.14410259739744508,0.14410259739744508,B,fcc,41.6509051294 +54,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,32.0,1.0,0.24247710769252964,0.24247710769252964,B,fcc,41.6918200439 +55,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,40.0,1.0,0.10200403637403027,0.10200403637403027,B,fcc,41.6333959289 +56,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,32.0,1.0,0.2402371871825873,0.2402371871825873,B,fcc,41.6908884392 +57,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,42.0,1.0,0.002745337066043967,0.002745337066043967,B,fcc,41.5921132716 +58,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,44.0,1.0,0.07074449336494505,-0.07074449336494505,B,fcc,41.5615481372 +59,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,16.0,1.0,1.8674933541898864,-1.8674933541898864,B,fcc,40.8142628313 +60,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,20.0,1.0,2.332593631063077,2.332593631063077,B,fcc,42.5611198106 +61,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,41.5909714592444,0.009147957602924141,8.0,1.0,3.5890247151796677,3.5890247151796677,B,fcc,43.0836817042 +0,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,40.0,1.0,0.006527635062875306,0.006527635062875306,E0,fcc,-0.7397314263 +1,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,38.0,1.0,0.0009298192385375736,0.0009298192385375736,E0,fcc,-0.7396900202000001 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,62.0,1.0,0.002411719669196353,-0.002411719669196353,E0,fcc,-0.7396653034 +3,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,14.0,1.0,0.2188741399089574,0.2188741399089574,E0,fcc,-0.7413021176000001 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,12.0,1.0,0.2948116779455692,-0.2948116779455692,E0,fcc,-0.7375024701999999 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,52.0,1.0,0.003359652587662359,-0.003359652587662359,E0,fcc,-0.7396582917000001 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,60.0,1.0,0.0010239811789541473,0.0010239811789541473,E0,fcc,-0.7396907167 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,26.0,1.0,0.006692674334956067,-0.006692674334956067,E0,fcc,-0.7396336379 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,54.0,1.0,0.0008752147765993392,0.0008752147765993392,E0,fcc,-0.7396896163000001 +9,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,6.0,1.0,11.739042354305713,-11.739042354305713,E0,fcc,-0.6528514250999999 +10,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,20.0,1.0,0.09004673459589885,0.09004673459589885,E0,fcc,-0.7403492030000001 +11,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,10.0,1.0,0.22604338535396135,0.22604338535396135,E0,fcc,-0.7413551473000001 +12,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,46.0,1.0,0.0009053314118421086,-0.0009053314118421086,E0,fcc,-0.7396764459 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,58.0,1.0,0.0012953497635411007,-0.0012953497635411007,E0,fcc,-0.7396735609999999 +14,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,48.0,1.0,0.00028497118780689446,-0.00028497118780689446,E0,fcc,-0.7396810345999999 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,22.0,1.0,0.024797791554519756,-0.024797791554519756,E0,fcc,-0.7394997174 +16,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,14.0,1.0,0.21887774956266653,0.21887774956266653,E0,fcc,-0.7413021443000001 +17,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,50.0,1.0,0.0031265301092734767,0.0031265301092734767,E0,fcc,-0.7397062689 +18,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,24.0,1.0,0.02804260422462392,0.02804260422462392,E0,fcc,-0.7398905689 +19,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,4.0,1.0,1.5847700063129533,-1.5847700063129533,E0,fcc,-0.7279608659000001 +20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,34.0,1.0,0.008188156885616202,0.008188156885616202,E0,fcc,-0.7397437089000001 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,12.0,1.0,0.2948059863192856,-0.2948059863192856,E0,fcc,-0.7375025123000001 +22,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,38.0,1.0,0.0009231812611056596,0.0009231812611056596,E0,fcc,-0.7396899711 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,56.0,1.0,0.0003942926363344042,0.0003942926363344042,E0,fcc,-0.7396860590000001 +24,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,30.0,1.0,0.020001282666275016,0.020001282666275016,E0,fcc,-0.7398310886 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,66.0,1.0,0.0003313559139348103,-0.0003313559139348103,E0,fcc,-0.7396806915 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,64.0,1.0,1.3656680418554922e-05,1.3656680418554922e-05,E0,fcc,-0.7396832434999999 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,10.0,1.0,0.2260449941509316,0.2260449941509316,E0,fcc,-0.7413551592000001 +28,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,48.0,1.0,0.00028122634104866385,-0.00028122634104866385,E0,fcc,-0.7396810623000001 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,18.0,1.0,0.009835411902557871,-0.009835411902557871,E0,fcc,-0.7396103916 +30,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,16.0,1.0,0.1093955286205149,-0.1093955286205149,E0,fcc,-0.7388739622 +31,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,28.0,1.0,0.005900362105116267,-0.005900362105116267,E0,fcc,-0.7396394985 +32,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,50.0,1.0,0.003117080116973304,0.003117080116973304,E0,fcc,-0.739706199 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,68.0,1.0,0.0014513760312244526,-0.0014513760312244526,E0,fcc,-0.7396724069 +34,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,22.0,1.0,0.024799643698921243,-0.024799643698921243,E0,fcc,-0.7394997037000001 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,52.0,1.0,0.0033613695390598123,-0.0033613695390598123,E0,fcc,-0.739658279 +36,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,28.0,1.0,0.0059012678983544,-0.0059012678983544,E0,fcc,-0.7396394918000001 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,4.0,1.0,1.58476155674903,-1.58476155674903,E0,fcc,-0.7279609284 +38,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,18.0,1.0,0.009831964480474568,-0.009831964480474568,E0,fcc,-0.7396104171 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,6.0,1.0,11.739048154086394,-11.739048154086394,E0,fcc,-0.6528513821999999 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,46.0,1.0,0.0009138080143721092,-0.0009138080143721092,E0,fcc,-0.7396763832000001 +41,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,58.0,1.0,0.0013069087669774564,-0.0013069087669774564,E0,fcc,-0.7396734755000001 +42,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,34.0,1.0,0.008183803670279757,0.008183803670279757,E0,fcc,-0.7397436767000001 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,44.0,1.0,0.0017975015786208508,0.0017975015786208508,E0,fcc,-0.7396964383 +44,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,8.0,1.0,0.8731954326381177,0.8731954326381177,E0,fcc,-0.7461420219 +45,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,36.0,1.0,0.0038398582049068244,-0.0038398582049068244,E0,fcc,-0.7396547397000001 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,42.0,1.0,0.0035774350282152616,-0.0035774350282152616,E0,fcc,-0.7396566808 +47,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,70.0,1.0,0.0007425228246431923,0.0007425228246431923,E0,fcc,-0.7396886348 +48,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,24.0,1.0,0.028042496070196682,0.028042496070196682,E0,fcc,-0.7398905681 +49,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,36.0,1.0,0.003835626663286023,-0.003835626663286023,E0,fcc,-0.7396547710000001 +50,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,56.0,1.0,0.0003956986437535237,0.0003956986437535237,E0,fcc,-0.7396860693999999 +51,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,54.0,1.0,0.0008830289333074832,0.0008830289333074832,E0,fcc,-0.7396896741 +52,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,30.0,1.0,0.01999579382954254,0.01999579382954254,E0,fcc,-0.739831048 +53,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,40.0,1.0,0.006521821762891108,0.006521821762891108,E0,fcc,-0.7397313833 +54,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,26.0,1.0,0.0066929041630989575,-0.0066929041630989575,E0,fcc,-0.7396336362 +55,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,32.0,1.0,0.0012095562712122715,-0.0012095562712122715,E0,fcc,-0.7396741956 +56,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,32.0,1.0,0.0012278208485975706,-0.0012278208485975706,E0,fcc,-0.7396740605000001 +57,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,42.0,1.0,0.0035736361042734274,-0.0035736361042734274,E0,fcc,-0.7396567089 +58,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,44.0,1.0,0.001797095999563705,0.001797095999563705,E0,fcc,-0.7396964353000001 +59,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,16.0,1.0,0.10940637110094578,-0.10940637110094578,E0,fcc,-0.738873882 +60,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,20.0,1.0,0.09004761335054517,0.09004761335054517,E0,fcc,-0.7403492095 +61,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-0.739683142483837,3.03557521225158e-06,8.0,1.0,0.8732007592432093,0.8732007592432093,E0,fcc,-0.7461420612999999 +0,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,38.0,1.0,2.3995495808685456,2.3995495808685456,dB,fcc,6.0171671108 +1,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,62.0,1.0,1.0152399496188973,1.0152399496188973,dB,fcc,5.935822784400001 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,14.0,1.0,11.898172455301445,-11.898172455301445,dB,fcc,5.1770092864 +3,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,12.0,1.0,3.5754501657101416,3.5754501657101416,dB,fcc,6.0862649765 +4,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,40.0,1.0,2.388853937784464,2.388853937784464,dB,fcc,6.0165386171 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,52.0,1.0,1.8874242808279065,-1.8874242808279065,dB,fcc,5.7652574273 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,60.0,1.0,0.05335514221065351,0.05335514221065351,dB,fcc,5.8793008402 +7,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,26.0,1.0,3.0210954351428523,3.0210954351428523,dB,fcc,6.053690174500001 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,54.0,1.0,1.6292795978100258,1.6292795978100258,dB,fcc,5.971904771 +9,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,6.0,1.0,4.259144085875391,-4.259144085875391,dB,fcc,5.6258912439 +10,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,10.0,1.0,2.160526473841226,2.160526473841226,dB,fcc,6.0031217172 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,20.0,1.0,0.32538178982545546,0.32538178982545546,dB,fcc,5.8952855765 +12,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,46.0,1.0,3.4618372427555517,3.4618372427555517,dB,fcc,6.0795888929999995 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,58.0,1.0,0.2249168489412587,0.2249168489412587,dB,fcc,5.8893820902 +14,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,48.0,1.0,1.32901632087084,1.32901632087084,dB,fcc,5.9542608036 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,22.0,1.0,11.662512049622705,-11.662512049622705,dB,fcc,5.1908570821 +16,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,14.0,1.0,11.84632665643408,-11.84632665643408,dB,fcc,5.1800558314 +17,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,50.0,1.0,1.8066418422209487,1.8066418422209487,dB,fcc,5.9823268702 +18,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,24.0,1.0,4.728172800496927,-4.728172800496927,dB,fcc,5.5983303399 +19,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,4.0,1.0,8.777324130588166,-8.777324130588166,dB,fcc,5.3603955022 +20,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,34.0,1.0,1.818877184934049,1.818877184934049,dB,fcc,5.9830458392 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,12.0,1.0,3.5452402002373105,3.5452402002373105,dB,fcc,6.0844897889 +22,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,38.0,1.0,2.453251117088378,2.453251117088378,dB,fcc,6.0203227020000005 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,56.0,1.0,0.5537061769323324,0.5537061769323324,dB,fcc,5.9087022955999995 +24,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,30.0,1.0,0.3550383156753581,-0.3550383156753581,dB,fcc,5.8553029643 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,66.0,1.0,1.448644435088571,1.448644435088571,dB,fcc,5.9612903497000005 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,64.0,1.0,0.5199713907861311,0.5199713907861311,dB,fcc,5.9067199837 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,10.0,1.0,2.126699876123271,2.126699876123271,dB,fcc,6.0011340102999995 +28,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,48.0,1.0,1.336105632644816,1.336105632644816,dB,fcc,5.954677383300001 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,18.0,1.0,9.659203429011914,-9.659203429011914,dB,fcc,5.3085748142 +30,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,16.0,1.0,6.289485180311693,6.289485180311693,dB,fcc,6.2457461685 +31,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,28.0,1.0,3.771365581926121,3.771365581926121,dB,fcc,6.097777290800001 +32,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,50.0,1.0,1.8034208370150973,1.8034208370150973,dB,fcc,5.9821375986000005 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,68.0,1.0,0.4257188973484705,0.4257188973484705,dB,fcc,5.9011815511000005 +34,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,22.0,1.0,11.634961199132984,-11.634961199132984,dB,fcc,5.1924760157 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,52.0,1.0,1.8872329264523016,-1.8872329264523016,dB,fcc,5.7652686715999995 +36,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,28.0,1.0,3.773785809836484,3.773785809836484,dB,fcc,6.0979195074 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,4.0,1.0,8.781071914685036,-8.781071914685036,dB,fcc,5.3601752762 +38,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,18.0,1.0,9.655253332713496,-9.655253332713496,dB,fcc,5.3088069284 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,6.0,1.0,4.242833059865527,-4.242833059865527,dB,fcc,5.6268497068 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,46.0,1.0,3.4631398524020804,3.4631398524020804,dB,fcc,6.0796654365 +41,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,58.0,1.0,0.26859246622458016,0.26859246622458016,dB,fcc,5.8919485418 +42,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,34.0,1.0,1.8566642513606275,1.8566642513606275,dB,fcc,5.9852662698 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,44.0,1.0,0.9777616627813228,0.9777616627813228,dB,fcc,5.933620498200001 +44,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,8.0,1.0,91.07770317701056,91.07770317701056,dB,fcc,11.2280422704 +45,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,36.0,1.0,6.806621635433728,6.806621635433728,dB,fcc,6.2761339629999995 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,42.0,1.0,1.0395401905635016,1.0395401905635016,dB,fcc,5.9372507067999996 +47,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,70.0,1.0,0.18043753238897944,0.18043753238897944,dB,fcc,5.8867684119 +48,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,24.0,1.0,4.727483975458126,-4.727483975458126,dB,fcc,5.5983708164 +49,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,36.0,1.0,6.849884512477307,6.849884512477307,dB,fcc,6.2786761613 +50,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,56.0,1.0,0.5531347668961876,0.5531347668961876,dB,fcc,5.9086687186 +51,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,5.87616560368562,0.0100716242420079,54.0,1.0,1.6059901809981203,1.6059901809981203,dB,fcc,5.9705362463 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+6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,34.0,1.0,0.3479092993381025,-0.3479092993381025,B,hcp,43.5463742397 +7,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7284273903129015,-0.7284273903129015,B,hcp,43.380093903 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7126386188660089,-0.7126386188660089,B,hcp,43.3869933443 +9,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,4.0,1.0,11.931223576340257,11.931223576340257,B,hcp,48.9121594609 +10,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,46.0,1.0,0.2457248318632085,-0.2457248318632085,B,hcp,43.59102722220001 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,8.0,1.0,2.508049200146154,-2.508049200146154,B,hcp,42.602427556100004 +12,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,50.0,1.0,0.1715712750925726,-0.1715712750925726,B,hcp,43.6234311438 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,26.0,1.0,1.0851209039673224,-1.0851209039673224,B,hcp,43.2242245266 +14,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,48.0,1.0,0.13990553035261524,-0.13990553035261524,B,hcp,43.6372685692 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,28.0,1.0,0.9975984130382716,-0.9975984130382716,B,hcp,43.2624704592 +16,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,36.0,1.0,0.7127799370672406,-0.7127799370672406,B,hcp,43.38693159050001 +17,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,18.0,1.0,0.9508918722184708,0.9508918722184708,B,hcp,44.113929636499996 +18,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,12.0,1.0,1.7081661374620805,1.7081661374620805,B,hcp,44.444846412299995 +19,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,10.0,1.0,1.7853634455970115,1.7853634455970115,B,hcp,44.478580404700004 +20,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,26.0,1.0,1.0704181174652116,-1.0704181174652116,B,hcp,43.230649409799994 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,6.0,1.0,3.5305023419536887,-3.5305023419536887,B,hcp,42.1556318407 +22,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,34.0,1.0,0.34871620384539426,-0.34871620384539426,B,hcp,43.5460216353 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,12.0,1.0,1.7181460946128133,1.7181460946128133,B,hcp,44.44920749439999 +24,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,16.0,1.0,0.34054577726907265,-0.34054577726907265,B,hcp,43.549591981400006 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,30.0,1.0,0.6661243580488948,-0.6661243580488948,B,hcp,43.40731933439999 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,16.0,1.0,0.33219818907805904,-0.33219818907805904,B,hcp,43.5532397443 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,34.0,1.0,0.3479092993381025,-0.3479092993381025,B,hcp,43.5463742397 +28,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,28.0,1.0,0.9687427184556892,-0.9687427184556892,B,hcp,43.2750799375 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7284273903129015,-0.7284273903129015,B,hcp,43.380093903 +30,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,10.0,1.0,1.7279627780699278,1.7279627780699278,B,hcp,44.453497228500005 +31,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,44.0,1.0,0.5833850309387323,-0.5833850309387323,B,hcp,43.4434751007 +32,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,18.0,1.0,0.9514960803118236,0.9514960803118236,B,hcp,44.1141936658 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7126386188660089,-0.7126386188660089,B,hcp,43.3869933443 +34,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,14.0,1.0,1.1769469508216883,-1.1769469508216883,B,hcp,43.1840980087 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,14.0,1.0,1.1731174591093139,-1.1731174591093139,B,hcp,43.1857714355 +36,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,46.0,1.0,0.2457248318632085,-0.2457248318632085,B,hcp,43.59102722220001 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,24.0,1.0,1.51106591172597,-1.51106591172597,B,hcp,43.0380933518 +38,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,4.0,1.0,11.931410149282446,11.931410149282446,B,hcp,48.9122409903 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,38.0,1.0,0.6754968648826537,-0.6754968648826537,B,hcp,43.40322369840001 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,6.0,1.0,3.5344266911327056,-3.5344266911327056,B,hcp,42.1539169627 +41,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,22.0,1.0,2.1049945639869097,-2.1049945639869097,B,hcp,42.7785560036 +42,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,20.0,1.0,0.5768383929174415,-0.5768383929174415,B,hcp,43.4463358771 +43,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,46.0,1.0,0.40138686761738696,-0.40138686761738696,B,hcp,43.5230053953 +44,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,50.0,1.0,0.1715712750925726,-0.1715712750925726,B,hcp,43.6234311438 +45,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,20.0,1.0,0.21055851542486806,-0.21055851542486806,B,hcp,43.6063943416 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,48.0,1.0,0.13990553035261524,-0.13990553035261524,B,hcp,43.6372685692 +47,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,24.0,1.0,1.5207488818360173,-1.5207488818360173,B,hcp,43.0338620483 +48,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,43.6984050545472,0.0205291460391793,22.0,1.0,2.1208299719185444,-2.1208299719185444,B,hcp,42.7716361829 +0,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,30.0,1.0,0.0009346664319928184,0.0009346664319928184,E0,hcp,-1.4917784873 +1,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,8.0,1.0,0.7297712577578684,-0.7297712577578684,E0,hcp,-1.4808780754 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,20.0,1.0,0.02413676634299422,0.02413676634299422,E0,hcp,-1.492124608 +3,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,10.0,1.0,0.7374527410937679,0.7374527410937679,E0,hcp,-1.5027656028 +4,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,0.009328122388587769,0.009328122388587769,E0,hcp,-1.4919036979 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,30.0,1.0,0.0018476322249011887,0.0018476322249011887,E0,hcp,-1.4917921066 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,0.009236070328147005,0.009236070328147005,E0,hcp,-1.4919023247 +7,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,0.011976432758475864,-0.011976432758475864,E0,hcp,-1.4915858841 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,0.011470850290450169,-0.011470850290450169,E0,hcp,-1.4915934262 +9,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,4.0,1.0,8.370554267524303,8.370554267524303,E0,hcp,-1.616633505 +10,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,46.0,1.0,0.001312088937586466,-0.001312088937586466,E0,hcp,-1.491744971 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,8.0,1.0,0.7297713784203222,-0.7297713784203222,E0,hcp,-1.4808780736000002 +12,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,50.0,1.0,0.00015418502666766798,-0.00015418502666766798,E0,hcp,-1.4917622441999998 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,26.0,1.0,0.008591350621082114,0.008591350621082114,E0,hcp,-1.4918927069999999 +14,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,28.0,1.0,0.013114591253040271,0.013114591253040271,E0,hcp,-1.4919601831 +15,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,48.0,1.0,0.00236803606676315,0.00236803606676315,E0,hcp,-1.4917998698 +16,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,36.0,1.0,0.004105877343372173,0.004105877343372173,E0,hcp,-1.4918257943000002 +17,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,12.0,1.0,0.2625795228520361,0.2625795228520361,E0,hcp,-1.4956816125 +18,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,18.0,1.0,0.09970257894553723,0.09970257894553723,E0,hcp,-1.4932518719999999 +19,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,10.0,1.0,0.7374527410937679,0.7374527410937679,E0,hcp,-1.5027656028 +20,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,6.0,1.0,1.8836267818101506,-1.8836267818101506,E0,hcp,-1.4636652678 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,26.0,1.0,0.008633776887505435,0.008633776887505435,E0,hcp,-1.4918933399 +22,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,0.009328122388587769,0.009328122388587769,E0,hcp,-1.4919036979 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,12.0,1.0,0.26432526081716634,0.26432526081716634,E0,hcp,-1.4957076548 +24,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,16.0,1.0,0.07630240488060032,0.07630240488060032,E0,hcp,-1.4929027965 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,30.0,1.0,0.0018476322249011887,0.0018476322249011887,E0,hcp,-1.4917921066 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,16.0,1.0,0.07635068998045946,0.07635068998045946,E0,hcp,-1.4929035168 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,0.009236070328147005,0.009236070328147005,E0,hcp,-1.4919023247 +28,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,28.0,1.0,0.013173172883986823,0.013173172883986823,E0,hcp,-1.491961057 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,0.011976432758475864,-0.011976432758475864,E0,hcp,-1.4915858841 +30,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,10.0,1.0,0.7364925024250792,0.7364925024250792,E0,hcp,-1.5027512783 +31,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,44.0,1.0,0.00421337119194201,-0.00421337119194201,E0,hcp,-1.4917016907 +32,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,18.0,1.0,0.09970475757352028,0.09970475757352028,E0,hcp,-1.4932519045 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,0.011470850290450169,-0.011470850290450169,E0,hcp,-1.4915934262 +34,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,14.0,1.0,0.2140170906868173,-0.2140170906868173,E0,hcp,-1.4885719132 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,14.0,1.0,0.21398436434257925,-0.21398436434257925,E0,hcp,-1.4885724014 +36,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,46.0,1.0,0.001312088937586466,-0.001312088937586466,E0,hcp,-1.491744971 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,24.0,1.0,0.008886283224002393,0.008886283224002393,E0,hcp,-1.4918971067 +38,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,4.0,1.0,8.370554562477027,8.370554562477027,E0,hcp,-1.6166335094000002 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,38.0,1.0,0.007432672802527344,-0.007432672802527344,E0,hcp,-1.4916536663 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,22.0,1.0,0.010234871055615932,-0.010234871055615932,E0,hcp,-1.4916118641 +41,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,6.0,1.0,1.8836895799242108,-1.8836895799242108,E0,hcp,-1.463664331 +42,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,46.0,1.0,0.0013937305079424005,-0.0013937305079424005,E0,hcp,-1.4917437531 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,20.0,1.0,0.023024097452725597,0.023024097452725597,E0,hcp,-1.4921080096000001 +44,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,50.0,1.0,0.00015418502666766798,-0.00015418502666766798,E0,hcp,-1.4917622441999998 +45,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,20.0,1.0,0.02413676634299422,0.02413676634299422,E0,hcp,-1.492124608 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,48.0,1.0,0.00236803606676315,0.00236803606676315,E0,hcp,-1.4917998698 +47,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,24.0,1.0,0.008878507197920063,0.008878507197920063,E0,hcp,-1.4918969907 +48,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,-1.4917645442775602,1.5075941920712399e-05,22.0,1.0,0.010380792207072527,-0.010380792207072527,E0,hcp,-1.4916096873 +0,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,30.0,1.0,2.121578065867007,2.121578065867007,dB,hcp,6.982800704 +1,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,8.0,1.0,26.1039339149112,26.1039339149112,dB,hcp,8.6226501313 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,20.0,1.0,7.832722803505058,7.832722803505058,dB,hcp,7.3733135246 +3,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,10.0,1.0,7.5902058494947715,-7.5902058494947715,dB,hcp,6.3187348636000005 +4,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.9715610138515364,0.9715610138515364,dB,hcp,6.9041656101 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,30.0,1.0,3.1315461558748834,3.1315461558748834,dB,hcp,7.0518596239999995 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.636249844811413,0.636249844811413,dB,hcp,6.881237928099999 +7,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.4867516324029901,0.4867516324029901,dB,hcp,6.8710156397 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.8756153956957471,-0.8756153956957471,dB,hcp,6.7778606216999995 +9,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,4.0,1.0,41.36607854607685,41.36607854607685,dB,hcp,9.666234810399999 +10,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,46.0,1.0,0.0659007820551213,0.0659007820551213,dB,hcp,6.8422389828 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,8.0,1.0,25.77928206255636,25.77928206255636,dB,hcp,8.6004513049 +12,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,50.0,1.0,0.5528283524252808,0.5528283524252808,dB,hcp,6.8755337892999995 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,26.0,1.0,5.157474652469622,5.157474652469622,dB,hcp,7.1903872026 +14,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,48.0,1.0,0.26400309419090096,0.26400309419090096,dB,hcp,6.8557846897 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,28.0,1.0,5.494917902462766,5.494917902462766,dB,hcp,7.213460670599999 +16,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,36.0,1.0,0.7522944733243265,0.7522944733243265,dB,hcp,6.8891727498 +17,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,18.0,1.0,7.628182497829659,7.628182497829659,dB,hcp,7.3593276049 +18,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,12.0,1.0,0.3069182615224715,0.3069182615224715,dB,hcp,6.8587191141999995 +19,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,10.0,1.0,7.5902058494947715,-7.5902058494947715,dB,hcp,6.3187348636000005 +20,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,26.0,1.0,5.684446795430036,5.684446795430036,dB,hcp,7.22642015 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,6.0,1.0,16.70856723509117,16.70856723509117,dB,hcp,7.9802200562 +22,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.9715610138515364,0.9715610138515364,dB,hcp,6.9041656101 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,12.0,1.0,0.1675071673706527,0.1675071673706527,dB,hcp,6.849186556 +24,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,16.0,1.0,6.9311278913921415,6.9311278913921415,dB,hcp,7.311664873 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,30.0,1.0,3.1315461558748834,3.1315461558748834,dB,hcp,7.0518596239999995 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,16.0,1.0,7.391287650901973,7.391287650901973,dB,hcp,7.3431293681 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.636249844811413,0.636249844811413,dB,hcp,6.881237928099999 +28,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,28.0,1.0,5.889357786835718,5.889357786835718,dB,hcp,7.2404314162 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.4867516324029901,0.4867516324029901,dB,hcp,6.8710156397 +30,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,10.0,1.0,8.301044299478582,-8.301044299478582,dB,hcp,6.2701296292999995 +31,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,44.0,1.0,1.66083430723352,1.66083430723352,dB,hcp,6.9512962766 +32,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,18.0,1.0,7.618382692639973,7.618382692639973,dB,hcp,7.3586575203999995 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.8756153956957471,-0.8756153956957471,dB,hcp,6.7778606216999995 +34,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,14.0,1.0,2.0749151700306707,-2.0749151700306707,dB,hcp,6.695855706900001 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,14.0,1.0,2.1584920604151447,-2.1584920604151447,dB,hcp,6.6901409424 +36,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,46.0,1.0,0.0659007820551213,0.0659007820551213,dB,hcp,6.8422389828 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,24.0,1.0,8.71543328819441,8.71543328819441,dB,hcp,7.433670909500001 +38,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,4.0,1.0,41.37038806073454,41.37038806073454,dB,hcp,9.6665294835 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,38.0,1.0,2.261083625540216,2.261083625540216,dB,hcp,6.9923397215000005 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,6.0,1.0,17.178185701352557,17.178185701352557,dB,hcp,8.0123313124 +41,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,22.0,1.0,10.811184810862262,10.811184810862262,dB,hcp,7.5769728001 +42,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,20.0,1.0,9.301503653924652,9.301503653924652,dB,hcp,7.4737448355 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,50.0,1.0,0.5528283524252808,0.5528283524252808,dB,hcp,6.8755337892999995 +44,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,46.0,1.0,0.5378153344540764,-0.5378153344540764,dB,hcp,6.8009584875 +45,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,20.0,1.0,7.832722803505058,7.832722803505058,dB,hcp,7.3733135246 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,48.0,1.0,0.26400309419090096,0.26400309419090096,dB,hcp,6.8557846897 +47,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,24.0,1.0,8.540566787280673,8.540566787280673,dB,hcp,7.4217140053 +48,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,6.8377328633682,0.0110853734863317,22.0,1.0,10.741379827319088,10.741379827319088,dB,hcp,7.5721997218 +0,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,30.0,1.0,0.10809033776507984,-0.10809033776507984,v0,hcp,45.9943506676 +1,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,8.0,1.0,2.311292910930689,-2.311292910930689,v0,hcp,44.9799054329 +2,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,20.0,1.0,0.09032260734568733,-0.09032260734568733,v0,hcp,46.00253166270001 +3,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,10.0,1.0,0.9244685383163896,-0.9244685383163896,v0,hcp,45.61845651 +4,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.057815753422782036,-0.057815753422782036,v0,hcp,46.0174991575 +5,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,30.0,1.0,0.07145356431362619,-0.07145356431362619,v0,hcp,46.0112197475 +6,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.057458546030571336,-0.057458546030571336,v0,hcp,46.0176636305 +7,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.03205049518221592,-0.03205049518221592,v0,hcp,46.02936254390001 +8,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.03628375363894104,-0.03628375363894104,v0,hcp,46.02741337729999 +9,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,4.0,1.0,1.928122728862024,-1.928122728862024,v0,hcp,45.156332771 +10,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,46.0,1.0,0.03567271622407865,-0.03567271622407865,v0,hcp,46.0276947241 +11,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,8.0,1.0,2.3106257584243806,-2.3106257584243806,v0,hcp,44.9802126174 +12,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,50.0,1.0,0.011671344667758212,-0.011671344667758212,v0,hcp,46.0387459444 +13,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,26.0,1.0,0.1146569567074401,-0.1146569567074401,v0,hcp,45.991327125699996 +14,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,48.0,1.0,0.020362608845724644,-0.020362608845724644,v0,hcp,46.0347441283 +15,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,28.0,1.0,0.08117552079476907,-0.08117552079476907,v0,hcp,46.0067433582 +16,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,36.0,1.0,0.058454540743622864,-0.058454540743622864,v0,hcp,46.017205033500005 +17,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,12.0,1.0,0.0820582442182319,0.0820582442182319,v0,hcp,46.0819029087 +18,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,18.0,1.0,0.20893503017839174,-0.20893503017839174,v0,hcp,45.94791761649999 +19,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,10.0,1.0,0.9244685383163896,-0.9244685383163896,v0,hcp,45.61845651 +20,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,26.0,1.0,0.11129406345863853,-0.11129406345863853,v0,hcp,45.9928755403 +21,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,6.0,1.0,0.9531762474804756,0.9531762474804756,v0,hcp,46.4830015267 +22,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.057815753422782036,-0.057815753422782036,v0,hcp,46.0174991575 +23,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,12.0,1.0,0.08908496403860243,0.08908496403860243,v0,hcp,46.0851383 +24,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,16.0,1.0,0.6391690389446851,-0.6391690389446851,v0,hcp,45.7498201536 +25,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,30.0,1.0,0.07145356431362619,-0.07145356431362619,v0,hcp,46.0112197475 +26,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,16.0,1.0,0.6402064558850237,-0.6402064558850237,v0,hcp,45.7493424841 +27,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.057458546030571336,-0.057458546030571336,v0,hcp,46.0176636305 +28,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,28.0,1.0,0.07585219676410354,-0.07585219676410354,v0,hcp,46.0091944359 +29,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.03205049518221592,-0.03205049518221592,v0,hcp,46.02936254390001 +30,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,10.0,1.0,0.942902798795604,-0.942902798795604,v0,hcp,45.609968617 +31,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,44.0,1.0,0.05752977662429964,-0.05752977662429964,v0,hcp,46.01763083300001 +32,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,18.0,1.0,0.2089350151927444,-0.2089350151927444,v0,hcp,45.9479176234 +33,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.03628375363894104,-0.03628375363894104,v0,hcp,46.02741337729999 +34,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,14.0,1.0,0.6185623575311467,-0.6185623575311467,v0,hcp,45.7593083187 +35,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,14.0,1.0,0.6181360885517986,-0.6181360885517986,v0,hcp,45.7595045905 +36,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,46.0,1.0,0.03567271622407865,-0.03567271622407865,v0,hcp,46.0276947241 +37,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,24.0,1.0,0.20759358462315905,-0.20759358462315905,v0,hcp,45.9485352733 +38,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,4.0,1.0,1.9281263386606264,-1.9281263386606264,v0,hcp,45.156331108900005 +39,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,38.0,1.0,0.07218447349516406,-0.07218447349516406,v0,hcp,46.0108832068 +40,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,22.0,1.0,0.2151576649153577,-0.2151576649153577,v0,hcp,45.9450524591 +41,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,6.0,1.0,0.951793009618143,0.951793009618143,v0,hcp,46.482364626999995 +42,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,46.0,1.0,0.07230853081261349,-0.07230853081261349,v0,hcp,46.010826085699996 +43,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,20.0,1.0,0.14115347270822676,-0.14115347270822676,v0,hcp,45.9791270381 +44,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,50.0,1.0,0.011671344667758212,-0.011671344667758212,v0,hcp,46.0387459444 +45,TetraBloechl,allKp_without_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,20.0,1.0,0.09032260734568733,-0.09032260734568733,v0,hcp,46.00253166270001 +46,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,48.0,1.0,0.020362608845724644,-0.020362608845724644,v0,hcp,46.0347441283 +47,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,24.0,1.0,0.2068418725681669,-0.2068418725681669,v0,hcp,45.9488813925 +48,TetraBloechl,allKp_with_spin,VASP,Cd,PBE,46.0441199123342,0.00313194240324945,22.0,1.0,0.2152732885826124,-0.2152732885826124,v0,hcp,45.9449992212 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.4833091184735706,-0.4833091184735706,B,bcc,8.1746905834 +1,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,48.0,1.0,0.3970552410655908,0.3970552410655908,B,bcc,8.2470071584 +2,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.4792023042249956,-0.4792023042249956,B,bcc,8.1750279332 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,68.0,1.0,0.14168023158422918,-0.14168023158422918,B,bcc,8.2027533176 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,60.0,1.0,0.8753121985609031,0.8753121985609031,B,bcc,8.2862930572 +5,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,56.0,1.0,0.2825310154681151,-0.2825310154681151,B,bcc,8.191183282799999 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.4833091184735706,-0.4833091184735706,B,bcc,8.1746905834 +7,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,48.0,1.0,0.3970552410655908,0.3970552410655908,B,bcc,8.2470071584 +8,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.4792023042249956,-0.4792023042249956,B,bcc,8.1750279332 +9,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,68.0,1.0,0.14168023158422918,-0.14168023158422918,B,bcc,8.2027533176 +10,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,60.0,1.0,0.8753121985609031,0.8753121985609031,B,bcc,8.2862930572 +11,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,8.214391486481281,0.0311850545258783,56.0,1.0,0.2825310154681151,-0.2825310154681151,B,bcc,8.191183282799999 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,0.002505552167626389,0.002505552167626389,E0,bcc,-0.1807977971 +1,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,48.0,1.0,0.009251212659758978,0.009251212659758978,E0,bcc,-0.1808099928 +2,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,0.0025670588828317635,0.0025670588828317635,E0,bcc,-0.18079790829999998 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,68.0,1.0,0.0018968458718243504,0.0018968458718243504,E0,bcc,-0.1807966966 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,60.0,1.0,0.005757719734517407,0.005757719734517407,E0,bcc,-0.1808036768 +5,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,56.0,1.0,0.0026690538314361203,0.0026690538314361203,E0,bcc,-0.1807980927 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,0.002505552167626389,0.002505552167626389,E0,bcc,-0.1807977971 +7,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,48.0,1.0,0.009251212659758978,0.009251212659758978,E0,bcc,-0.1808099928 +8,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,0.0025670588828317635,0.0025670588828317635,E0,bcc,-0.18079790829999998 +9,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,68.0,1.0,0.0018968458718243504,0.0018968458718243504,E0,bcc,-0.1807966966 +10,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,60.0,1.0,0.005757719734517407,0.005757719734517407,E0,bcc,-0.1808036768 +11,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,-0.180793267230374,2.03295697320801e-06,56.0,1.0,0.0026690538314361203,0.0026690538314361203,E0,bcc,-0.1807980927 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.508864091450388,8.508864091450388,dB,bcc,10.8542642494 +1,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,48.0,1.0,10.21664187263023,10.21664187263023,dB,bcc,11.02509519 +2,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.595006349688381,8.595006349688381,dB,bcc,10.8628811568 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,68.0,1.0,3.013115505379532,3.013115505379532,dB,bcc,10.3045183102 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,60.0,1.0,0.8631195530583071,0.8631195530583071,dB,bcc,10.0894517864 +5,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,56.0,1.0,0.4590875337110568,0.4590875337110568,dB,bcc,10.0490360071 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.508864091450388,8.508864091450388,dB,bcc,10.8542642494 +7,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,48.0,1.0,10.21664187263023,10.21664187263023,dB,bcc,11.02509519 +8,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.595006349688381,8.595006349688381,dB,bcc,10.8628811568 +9,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,68.0,1.0,3.013115505379532,3.013115505379532,dB,bcc,10.3045183102 +10,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,60.0,1.0,0.8631195530583071,0.8631195530583071,dB,bcc,10.0894517864 +11,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,10.0031129625061,0.283952435481955,56.0,1.0,0.4590875337110568,0.4590875337110568,dB,bcc,10.0490360071 +0,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,58.0,1.0,0.02745522789506773,-0.02745522789506773,v0,bcc,29.7581138256 +1,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,48.0,1.0,0.041150939778190065,-0.041150939778190065,v0,bcc,29.7540371208 +2,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,58.0,1.0,0.027796812327938958,-0.027796812327938958,v0,bcc,29.758012148600002 +3,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,68.0,1.0,0.01008807748695708,-0.01008807748695708,v0,bcc,29.76328338130001 +4,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,60.0,1.0,0.007252382118219613,-0.007252382118219613,v0,bcc,29.7641274625 +5,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,56.0,1.0,0.002447296497877135,0.002447296497877135,v0,bcc,29.767014696599997 +6,TetraBloechl,allKp_without_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,58.0,1.0,0.02745522789506773,-0.02745522789506773,v0,bcc,29.7581138256 +7,TetraBloechl,allKp_with_spin,VASP,Hg,PBE,29.766286227319608,0.00312870271438846,48.0,1.0,0.041150939778190065,-0.041150939778190065,v0,bcc,29.7540371208 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+42,TetraBloechl,allKp_with_spin,VASP,Os,PBE,-22.500237056694303,6.43088823353918e-05,14.0,1.0,0.015638480543274658,-0.015638480543274658,E0,hcp,-22.4967183615 +43,TetraBloechl,allKp_without_spin,VASP,Os,PBE,-22.500237056694303,6.43088823353918e-05,6.0,1.0,0.2165959263962639,-0.2165959263962639,E0,hcp,-22.4515024598 +44,TetraBloechl,allKp_with_spin,VASP,Os,PBE,-22.500237056694303,6.43088823353918e-05,8.0,1.0,0.06071513011739589,0.06071513011739589,E0,hcp,-22.513898104899997 +45,TetraBloechl,allKp_with_spin,VASP,Os,PBE,-22.500237056694303,6.43088823353918e-05,40.0,1.0,0.00396728750924356,-0.00396728750924356,E0,hcp,-22.499344407600002 +46,TetraBloechl,allKp_without_spin,VASP,Os,PBE,-22.500237056694303,6.43088823353918e-05,26.0,1.0,0.0032431666940295235,-0.0032431666940295235,E0,hcp,-22.499507336500002 +47,TetraBloechl,allKp_with_spin,VASP,Os,PBE,-22.500237056694303,6.43088823353918e-05,38.0,1.0,0.0010530799907008614,-0.0010530799907008614,E0,hcp,-22.5000001112 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+3,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,38.0,1.0,0.20378510305802028,0.20378510305802028,dB,hcp,4.5861593208 +4,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,12.0,1.0,0.12234579832780508,0.12234579832780508,dB,hcp,4.5824319803 +5,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,30.0,1.0,0.2365221701627977,0.2365221701627977,dB,hcp,4.5876576415 +6,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,58.0,1.0,0.2018802681845808,0.2018802681845808,dB,hcp,4.586072139700001 +7,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,8.0,1.0,0.4647817856644623,-0.4647817856644623,dB,hcp,4.5555601347 +8,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,34.0,1.0,0.33122834692428393,0.33122834692428393,dB,hcp,4.5919921845000005 +9,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,26.0,1.0,0.021821702187353714,-0.021821702187353714,dB,hcp,4.5758336754 +10,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,50.0,1.0,128.2408466601735,-128.2408466601735,dB,hcp,-1.2925362251 +11,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,14.0,1.0,0.2948081451840229,0.2948081451840229,dB,hcp,4.5903252929 +12,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,64.0,1.0,0.2261617034321357,0.2261617034321357,dB,hcp,4.5871834602999995 +13,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,42.0,1.0,0.17472224083199486,0.17472224083199486,dB,hcp,4.5848291623 +14,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,28.0,1.0,1450.0394935703646,1450.0394935703646,dB,hcp,70.9427100357 +15,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,24.0,1.0,0.09599430258108467,0.09599430258108467,dB,hcp,4.581225916499999 +16,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,10.0,1.0,0.7752621638334121,-0.7752621638334121,dB,hcp,4.5413499681000005 +17,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,60.0,1.0,0.2306098234723727,0.2306098234723727,dB,hcp,4.5873870433 +18,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,54.0,1.0,0.2360774805141373,0.2360774805141373,dB,hcp,4.5876372888 +19,TetraBloechl,allKp_with_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,20.0,1.0,0.3309361732378112,0.3309361732378112,dB,hcp,4.591978812200001 +20,TetraBloechl,allKp_without_spin,VASP,Re,PBE,4.576832418139901,0.0209905193788518,26.0,1.0,0.030520469448801813,-0.030520469448801813,dB,hcp,4.5754355474 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+32,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-9.945893176059721,0.0150641506767084,68.0,1.0,0.060255097598511574,0.060255097598511574,E0,bcc,-9.9518860837 +33,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-9.945893176059721,0.0150641506767084,70.0,1.0,0.08883635570857465,0.08883635570857465,E0,bcc,-9.9547287451 +0,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-10.9494434578581,3.04199530583284e-05,4.0,1.0,3094.031747421919,3094.031747421919,dB,bcc,-349.72870021 +1,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-10.9494434578581,3.04199530583284e-05,6.0,1.0,17641.45121541277,17641.45121541277,dB,bcc,-1942.5901694351 +2,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-10.9494434578581,3.04199530583284e-05,12.0,1.0,131.7379058851252,-131.7379058851252,dB,bcc,3.4751240595999997 +3,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-10.9494434578581,3.04199530583284e-05,20.0,1.0,129.02509584648504,-129.02509584648504,dB,bcc,3.1780864582999997 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+42,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,60.0,1.0,0.004337247050590011,0.004337247050590011,B,hcp,303.8522233011 +43,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,48.0,1.0,0.003983751040934608,0.003983751040934608,B,hcp,303.8511492422 +44,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,4.0,1.0,0.2840388982511834,0.2840388982511834,B,hcp,304.7020661271 +45,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,52.0,1.0,0.002868286239688167,0.002868286239688167,B,hcp,303.8477600246 +46,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,38.0,1.0,0.0010604717769057373,0.0010604717769057373,B,hcp,303.8422671784 +47,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,6.0,1.0,0.35873920427072364,-0.35873920427072364,B,hcp,302.7490552786 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+54,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,42.0,1.0,0.014196355663502162,-0.014196355663502162,B,hcp,303.79591097959997 +55,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,26.0,1.0,0.01622786364133427,0.01622786364133427,B,hcp,303.888351637 +56,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,48.0,1.0,0.003983751040934608,0.003983751040934608,B,hcp,303.8511492422 +57,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,10.0,1.0,0.19059254350363156,0.19059254350363156,B,hcp,304.4181396152 +58,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,22.0,1.0,0.025031328566478144,-0.025031328566478144,B,hcp,303.7629901014 +59,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,303.83904505108,0.005141241323935421,18.0,1.0,0.03268209053358713,-0.03268209053358713,B,hcp,303.7397440993 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+25,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,56.0,1.0,4.29131684883599e-05,-4.29131684883599e-05,E0,hcp,-20.7500564286 +26,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,20.0,1.0,0.0010702881457745508,0.0010702881457745508,E0,hcp,-20.7502874186 +27,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,28.0,1.0,0.0016924785771052953,-0.0016924785771052953,E0,hcp,-20.7497141427 +28,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,8.0,1.0,0.0046146361234441005,-0.0046146361234441005,E0,hcp,-20.7491077931 +29,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,50.0,1.0,0.00010195587415932785,-0.00010195587415932785,E0,hcp,-20.7500441772 +30,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,32.0,1.0,0.00011859919524921245,-0.00011859919524921245,E0,hcp,-20.7500407237 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+37,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,64.0,1.0,3.332707338946147e-05,3.332707338946147e-05,E0,hcp,-20.7500722485 +38,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,4.0,1.0,0.38077764441263134,0.38077764441263134,E0,hcp,-20.8290769431 +39,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,36.0,1.0,0.00032261772879891545,0.00032261772879891545,E0,hcp,-20.7501322765 +40,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,26.0,1.0,0.0006549386101689607,0.0006549386101689607,E0,hcp,-20.7502012333 +41,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,62.0,1.0,5.1093383705220754e-05,-5.1093383705220754e-05,E0,hcp,-20.7500547312 +42,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,60.0,1.0,5.749328890356442e-06,5.749328890356442e-06,E0,hcp,-20.7500665261 +43,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,48.0,1.0,3.88394463718628e-05,-3.88394463718628e-05,E0,hcp,-20.7500572739 +44,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,4.0,1.0,0.3807762270677075,0.3807762270677075,E0,hcp,-20.829076649 +45,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,52.0,1.0,7.61679023489136e-05,7.61679023489136e-05,E0,hcp,-20.750081138 +46,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,38.0,1.0,7.468367087503459e-05,-7.468367087503459e-05,E0,hcp,-20.7500498362 +47,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,6.0,1.0,0.1810499114455881,-0.1810499114455881,E0,hcp,-20.7124973582 +48,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,50.0,1.0,0.00010195587415932785,-0.00010195587415932785,E0,hcp,-20.7500441772 +49,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,32.0,1.0,0.00011859919524921245,-0.00011859919524921245,E0,hcp,-20.7500407237 +50,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,70.0,1.0,3.102924929726482e-05,3.102924929726482e-05,E0,hcp,-20.7500717717 +51,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,30.0,1.0,0.0010446395518419463,0.0010446395518419463,E0,hcp,-20.7502820965 +52,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,52.0,1.0,7.61679023489136e-05,7.61679023489136e-05,E0,hcp,-20.750081138 +53,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,68.0,1.0,4.327943239145022e-05,-4.327943239145022e-05,E0,hcp,-20.7500563526 +54,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,42.0,1.0,1.9108804900251997e-05,1.9108804900251997e-05,E0,hcp,-20.7500692982 +55,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,26.0,1.0,0.0006549386101689607,0.0006549386101689607,E0,hcp,-20.7502012333 +56,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,48.0,1.0,3.88394463718628e-05,-3.88394463718628e-05,E0,hcp,-20.7500572739 +57,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,10.0,1.0,0.017414122468977115,0.017414122468977115,E0,hcp,-20.7536787749 +58,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,22.0,1.0,0.0034042804162761147,-0.0034042804162761147,E0,hcp,-20.7493589427 +59,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,18.0,1.0,0.0014903012811719946,0.0014903012811719946,E0,hcp,-20.750374571600002 +60,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,34.0,1.0,0.00043351145672220447,-0.00043351145672220447,E0,hcp,-20.749975379200002 +61,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,12.0,1.0,0.01537367646455854,-0.01537367646455854,E0,hcp,-20.7468752852 +62,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,38.0,1.0,7.468367087503459e-05,-7.468367087503459e-05,E0,hcp,-20.7500498362 +63,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,14.0,1.0,0.005929297425080846,0.005929297425080846,E0,hcp,-20.751295666199997 +64,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,-20.7500653331105,2.83390723566942e-06,40.0,1.0,7.52629195493913e-06,-7.52629195493913e-06,E0,hcp,-20.7500637714 +0,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,6.0,1.0,1.1334626451594731,-1.1334626451594731,dB,hcp,4.5839965855 +1,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,16.0,1.0,0.13748501283956316,-0.13748501283956316,dB,hcp,4.6301755879 +2,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,12.0,1.0,2.6220408482425395,-2.6220408482425395,dB,hcp,4.5149779106 +3,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,44.0,1.0,0.09232600166743284,-0.09232600166743284,dB,hcp,4.6322694081 +4,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,14.0,1.0,1.2700460327910628,1.2700460327910628,dB,hcp,4.6954364707 +5,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,30.0,1.0,0.03417598388044486,0.03417598388044486,dB,hcp,4.6381347361000005 +6,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,66.0,1.0,0.008578040902987891,-0.008578040902987891,dB,hcp,4.6361524243000005 +7,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,24.0,1.0,0.12212870451405865,0.12212870451405865,dB,hcp,4.6422127081 +8,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,58.0,1.0,0.05222761515017189,-0.05222761515017189,dB,hcp,4.6341285899 +9,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,54.0,1.0,0.06954194234391474,0.06954194234391474,dB,hcp,4.639774496499999 +10,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,16.0,1.0,0.13748501283956316,-0.13748501283956316,dB,hcp,4.6301755879 +11,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,36.0,1.0,0.08147928977159699,0.08147928977159699,dB,hcp,4.6403279776 +12,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,40.0,1.0,0.021861556524019624,0.021861556524019624,dB,hcp,4.6375637715 +13,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,44.0,1.0,0.09232600166743284,-0.09232600166743284,dB,hcp,4.6322694081 +14,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,46.0,1.0,0.08096635021020344,0.08096635021020344,dB,hcp,4.6403041949 +15,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,34.0,1.0,0.14927767295051872,-0.14927767295051872,dB,hcp,4.629628815299999 +16,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,42.0,1.0,0.10737472059652277,-0.10737472059652277,dB,hcp,4.6315716667 +17,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,64.0,1.0,0.027517615264810023,0.027517615264810023,dB,hcp,4.6378260175 +18,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,18.0,1.0,0.11963618616192855,-0.11963618616192855,dB,hcp,4.6310031576999995 +19,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,20.0,1.0,0.002944465762043884,0.002944465762043884,dB,hcp,4.6366866711000005 +20,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,56.0,1.0,0.027058114141928984,0.027058114141928984,dB,hcp,4.6378047125 +21,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,24.0,1.0,0.12212870451405865,0.12212870451405865,dB,hcp,4.6422127081 +22,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,58.0,1.0,0.05222761515017189,-0.05222761515017189,dB,hcp,4.6341285899 +23,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,54.0,1.0,0.06954194234391474,0.06954194234391474,dB,hcp,4.639774496499999 +24,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,22.0,1.0,0.5047735150884352,-0.5047735150884352,dB,hcp,4.6131460723 +25,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,56.0,1.0,0.027058114141928984,0.027058114141928984,dB,hcp,4.6378047125 +26,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,20.0,1.0,0.002944465762043884,0.002944465762043884,dB,hcp,4.6366866711000005 +27,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,28.0,1.0,0.029300026698648483,0.029300026698648483,dB,hcp,4.6379086599 +28,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,8.0,1.0,0.4360605583146275,-0.4360605583146275,dB,hcp,4.616331983 +29,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,50.0,1.0,0.015683419962011655,0.015683419962011655,dB,hcp,4.6372773191 +30,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,32.0,1.0,0.0926774885026031,0.0926774885026031,dB,hcp,4.6408471876999995 +31,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,28.0,1.0,0.029300026698648483,0.029300026698648483,dB,hcp,4.6379086599 +32,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,46.0,1.0,0.08096635021020344,0.08096635021020344,dB,hcp,4.6403041949 +33,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,10.0,1.0,0.5850398757102127,0.5850398757102127,dB,hcp,4.6636758167000005 +34,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,8.0,1.0,0.4360605583146275,-0.4360605583146275,dB,hcp,4.616331983 +35,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,60.0,1.0,0.016895484928173485,0.016895484928173485,dB,hcp,4.6373335171 +36,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,62.0,1.0,0.07986619035563869,-0.07986619035563869,dB,hcp,4.6328471135 +37,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,64.0,1.0,0.027517615264810023,0.027517615264810023,dB,hcp,4.6378260175 +38,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,4.0,1.0,2.6234612138432185,2.6234612138432185,dB,hcp,4.7581882443 +39,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,36.0,1.0,0.08147928977159699,0.08147928977159699,dB,hcp,4.6403279776 +40,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,26.0,1.0,0.5518956323861539,-0.5518956323861539,dB,hcp,4.6109612317 +41,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,62.0,1.0,0.07986619035563869,-0.07986619035563869,dB,hcp,4.6328471135 +42,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,60.0,1.0,0.016895484928173485,0.016895484928173485,dB,hcp,4.6373335171 +43,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,48.0,1.0,0.10368210580537536,0.10368210580537536,dB,hcp,4.6413574223000005 +44,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,4.0,1.0,2.6124173496878984,2.6124173496878984,dB,hcp,4.75767619 +45,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,52.0,1.0,0.059322528165155465,-0.059322528165155465,dB,hcp,4.6337996307 +46,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,38.0,1.0,0.027735989622737826,-0.027735989622737826,dB,hcp,4.6352641564 +47,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,6.0,1.0,1.1334626451594731,-1.1334626451594731,dB,hcp,4.5839965855 +48,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,50.0,1.0,0.015683419962011655,0.015683419962011655,dB,hcp,4.6372773191 +49,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,32.0,1.0,0.0926774885026031,0.0926774885026031,dB,hcp,4.6408471876999995 +50,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,70.0,1.0,0.01825092804804776,0.01825092804804776,dB,hcp,4.637396362900001 +51,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,30.0,1.0,0.03417598388044486,0.03417598388044486,dB,hcp,4.6381347361000005 +52,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,52.0,1.0,0.059322528165155465,-0.059322528165155465,dB,hcp,4.6337996307 +53,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,68.0,1.0,0.0013811555196225555,-0.0013811555196225555,dB,hcp,4.6364861115 +54,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,42.0,1.0,0.10737472059652277,-0.10737472059652277,dB,hcp,4.6315716667 +55,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,26.0,1.0,0.5518956323861539,-0.5518956323861539,dB,hcp,4.6109612317 +56,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,48.0,1.0,0.10368210580537536,0.10368210580537536,dB,hcp,4.6413574223000005 +57,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,10.0,1.0,0.5850398757102127,0.5850398757102127,dB,hcp,4.6636758167000005 +58,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,22.0,1.0,0.5047735150884352,-0.5047735150884352,dB,hcp,4.6131460723 +59,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,18.0,1.0,0.11963618616192855,-0.11963618616192855,dB,hcp,4.6310031576999995 +60,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,34.0,1.0,0.14927767295051872,-0.14927767295051872,dB,hcp,4.629628815299999 +61,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,12.0,1.0,2.623497055936261,-2.623497055936261,dB,hcp,4.5149103928 +62,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,38.0,1.0,0.027735989622737826,-0.027735989622737826,dB,hcp,4.6352641564 +63,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,14.0,1.0,1.2700460327910628,1.2700460327910628,dB,hcp,4.6954364707 +64,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,4.6365501494683095,0.0005586539106785571,40.0,1.0,0.021861556524019624,0.021861556524019624,dB,hcp,4.6375637715 +0,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,6.0,1.0,0.1544080559992097,0.1544080559992097,v0,hcp,28.6547953527 +1,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,16.0,1.0,0.02248081987345505,0.02248081987345505,v0,hcp,28.6170501548 +2,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,12.0,1.0,0.007195659094010716,0.007195659094010716,v0,hcp,28.6126769758 +3,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,44.0,1.0,0.0009601943997142313,0.0009601943997142313,v0,hcp,28.6108929708 +4,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,14.0,1.0,0.01494530529874101,-0.01494530529874101,v0,hcp,28.606342309000002 +5,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,30.0,1.0,0.002187463200779825,-0.002187463200779825,v0,hcp,28.6099924065 +6,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,66.0,1.0,0.0006757479075795593,0.0006757479075795593,v0,hcp,28.6108115889 +7,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,24.0,1.0,0.003623974625878653,-0.003623974625878653,v0,hcp,28.609581411700002 +8,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,58.0,1.0,0.00011151368318086499,0.00011151368318086499,v0,hcp,28.610650158000002 +9,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,54.0,1.0,0.0003060798792599492,-0.0003060798792599492,v0,hcp,28.610530681900002 +10,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,16.0,1.0,0.02248081987345505,0.02248081987345505,v0,hcp,28.6170501548 +11,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,36.0,1.0,0.0015919836130849408,0.0015919836130849408,v0,hcp,28.6110737296 +12,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,40.0,1.0,0.00010675737776020576,-0.00010675737776020576,v0,hcp,28.6105877093 +13,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,44.0,1.0,0.0009601943997142313,0.0009601943997142313,v0,hcp,28.6108929708 +14,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,46.0,1.0,0.00016613326482681716,0.00016613326482681716,v0,hcp,28.610665785 +15,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,34.0,1.0,0.001152146531371556,-0.001152146531371556,v0,hcp,28.610288617 +16,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,42.0,1.0,0.000622360735490528,0.000622360735490528,v0,hcp,28.610796314499996 +17,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,64.0,1.0,0.00012634905504235204,-0.00012634905504235204,v0,hcp,28.610582104000002 +18,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,18.0,1.0,0.007992418848015409,-0.007992418848015409,v0,hcp,28.6083315728 +19,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,20.0,1.0,0.007072420582746412,0.007072420582746412,v0,hcp,28.6126417165 +20,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,56.0,1.0,0.0001394305619473559,-0.0001394305619473559,v0,hcp,28.6105783613 +21,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,24.0,1.0,0.003623974625878653,-0.003623974625878653,v0,hcp,28.609581411700002 +22,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,58.0,1.0,0.00011151368318086499,0.00011151368318086499,v0,hcp,28.610650158000002 +23,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,54.0,1.0,0.0003060798792599492,-0.0003060798792599492,v0,hcp,28.610530681900002 +24,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,22.0,1.0,0.0042698883448691475,0.0042698883448691475,v0,hcp,28.611839894699997 +25,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,56.0,1.0,0.0001394305619473559,-0.0001394305619473559,v0,hcp,28.6105783613 +26,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,20.0,1.0,0.007072420582746412,0.007072420582746412,v0,hcp,28.6126417165 +27,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,28.0,1.0,0.0001051481849949932,-0.0001051481849949932,v0,hcp,28.610588169699998 +28,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,8.0,1.0,0.030354854861706002,-0.030354854861706002,v0,hcp,28.601933541599998 +29,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,50.0,1.0,0.00030226765825166335,-0.00030226765825166335,v0,hcp,28.6105317726 +30,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,32.0,1.0,0.002226052749221145,0.002226052749221145,v0,hcp,28.611255140700003 +31,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,28.0,1.0,0.0001051481849949932,-0.0001051481849949932,v0,hcp,28.610588169699998 +32,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,46.0,1.0,0.00016613326482681716,0.00016613326482681716,v0,hcp,28.610665785 +33,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,10.0,1.0,0.008515355497135217,0.008515355497135217,v0,hcp,28.6130545491 +34,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,8.0,1.0,0.030354854861706002,-0.030354854861706002,v0,hcp,28.601933541599998 +35,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,60.0,1.0,0.0001111410942323455,0.0001111410942323455,v0,hcp,28.6106500514 +36,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,62.0,1.0,0.00017105975746211507,0.00017105975746211507,v0,hcp,28.6106671945 +37,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,64.0,1.0,0.00012634905504235204,-0.00012634905504235204,v0,hcp,28.610582104000002 +38,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,4.0,1.0,0.06623600642974067,-0.06623600642974067,v0,hcp,28.5916677223 +39,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,36.0,1.0,0.0015919836130849408,0.0015919836130849408,v0,hcp,28.6110737296 +40,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,26.0,1.0,0.006290838381264609,0.006290838381264609,v0,hcp,28.612418101 +41,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,62.0,1.0,0.00017105975746211507,0.00017105975746211507,v0,hcp,28.6106671945 +42,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,60.0,1.0,0.0001111410942323455,0.0001111410942323455,v0,hcp,28.6106500514 +43,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,48.0,1.0,0.0001938725871467884,-0.0001938725871467884,v0,hcp,28.6105627851 +44,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,4.0,1.0,0.06623168216107794,-0.06623168216107794,v0,hcp,28.591668959499998 +45,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,52.0,1.0,0.0007429372979904783,0.0007429372979904783,v0,hcp,28.610830812199996 +46,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,38.0,1.0,9.737942027672002e-05,9.737942027672002e-05,v0,hcp,28.6106461141 +47,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,6.0,1.0,0.1544080559992097,0.1544080559992097,v0,hcp,28.6547953527 +48,TetraBloechl,allKp_with_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,50.0,1.0,0.00030226765825166335,-0.00030226765825166335,v0,hcp,28.6105317726 +49,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,32.0,1.0,0.002226052749221145,0.002226052749221145,v0,hcp,28.611255140700003 +50,TetraBloechl,allKp_without_spin,VASP,Tc,PBE,28.610618253245807,2.4556147665903e-05,70.0,1.0,0.00014258218904692534,-0.00014258218904692534,v0,hcp,28.6105774596 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+6,TetraBloechl,allKp_with_spin,VASP,Ti,PBE,3.68018218997675,0.00232690795874904,44.0,1.0,0.07583222186256078,0.07583222186256078,dB,hcp,3.6829729539 +7,TetraBloechl,allKp_without_spin,VASP,Ti,PBE,3.68018218997675,0.00232690795874904,56.0,1.0,0.30769826434384184,0.30769826434384184,dB,hcp,3.6915060467000003 +8,TetraBloechl,allKp_without_spin,VASP,Ti,PBE,3.68018218997675,0.00232690795874904,60.0,1.0,0.19558284486169505,0.19558284486169505,dB,hcp,3.687379995 +9,TetraBloechl,allKp_without_spin,VASP,Ti,PBE,3.68018218997675,0.00232690795874904,52.0,1.0,0.10837950724594766,0.10837950724594766,dB,hcp,3.6841707532999997 +10,TetraBloechl,allKp_without_spin,VASP,Ti,PBE,3.68018218997675,0.00232690795874904,54.0,1.0,0.28342907456208033,0.28342907456208033,dB,hcp,3.6906128963 +11,TetraBloechl,allKp_with_spin,VASP,Ti,PBE,3.68018218997675,0.00232690795874904,32.0,1.0,1.5515940889766249,1.5515940889766249,dB,hcp,3.7372836793 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+2,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,38.0,1.0,0.026751709026188186,0.026751709026188186,B,hcp,41.1769739389 +3,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,48.0,1.0,0.009135552707186058,0.009135552707186058,B,hcp,41.1697220788 +4,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,12.0,1.0,0.0645524256906589,-0.0645524256906589,B,hcp,41.139387714099996 +5,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,42.0,1.0,0.024387909497864527,0.024387909497864527,B,hcp,41.1760008581 +6,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,40.0,1.0,0.019554626282318556,0.019554626282318556,B,hcp,41.1740111906 +7,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,20.0,1.0,81.07714771449734,81.07714771449734,B,hcp,74.542148625 +8,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,46.0,1.0,0.003030605517453004,0.003030605517453004,B,hcp,41.167208918600004 +9,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,16.0,1.0,0.01843323915479611,-0.01843323915479611,B,hcp,41.1583731206 +10,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,32.0,1.0,0.0650860789426172,0.0650860789426172,B,hcp,41.1927546508 +11,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,28.0,1.0,0.0052667422916581955,0.0052667422916581955,B,hcp,41.1681294458 +12,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,30.0,1.0,0.03550579877080557,0.03550579877080557,B,hcp,41.1805776441 +13,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,44.0,1.0,0.031401821492055025,0.031401821492055025,B,hcp,41.178888202399996 +14,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,26.0,1.0,0.016232282902358636,-0.016232282902358636,B,hcp,41.1592791654 +15,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,10.0,1.0,0.4125400395490804,0.4125400395490804,B,hcp,41.3357874139 +16,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,14.0,1.0,0.02588739010878887,-0.02588739010878887,B,hcp,41.1553045477 +17,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,36.0,1.0,0.04467923715779889,0.04467923715779889,B,hcp,41.1843539782 +18,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,26.0,1.0,1147.7194033893074,-1147.7194033893074,B,hcp,-431.30376455830003 +19,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,12.0,1.0,7555177.216082141,-7555177.216082141,B,hcp,-3110120.166032733 +20,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,22.0,1.0,0.04433903302933232,0.04433903302933232,B,hcp,41.1842139299 +21,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,4.0,1.0,4.013208938159176,-4.013208938159176,B,hcp,39.513885300700004 +22,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,24.0,1.0,0.07527060849922358,0.07527060849922358,B,hcp,41.1969472103 +23,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,42.0,1.0,0.024387909497864527,0.024387909497864527,B,hcp,41.1760008581 +24,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,18.0,1.0,0.15981766282874826,0.15981766282874826,B,hcp,41.231751818 +25,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,6.0,1.0,12.808716875954511,12.808716875954511,B,hcp,46.4387927781 +26,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,10.0,1.0,9695.956841986665,-9695.956841986665,B,hcp,-3950.2678838428997 +27,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,8.0,1.0,1.169218998484509,-1.169218998484509,B,hcp,40.6846410998 +28,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,6.0,1.0,0.005061967285192032,0.005061967285192032,B,hcp,41.1680451482 +29,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,40.0,1.0,0.019554626282318556,0.019554626282318556,B,hcp,41.1740111906 +30,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,22.0,1.0,1620.7991074455026,1620.7991074455026,B,hcp,708.3834953222 +31,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,8.0,1.0,11.951930769412995,-11.951930769412995,B,hcp,36.245834140700005 +32,TetraBloechl,allKp_with_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,16.0,1.0,1872377.9802948385,-1872377.9802948385,B,hcp,-770741.2295586925 +33,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,4.0,1.0,2.488834374411258,-2.488834374411258,B,hcp,40.1414087443 +34,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,34.0,1.0,0.0018778866790014066,-0.0018778866790014066,B,hcp,41.1651882906 +35,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,20.0,1.0,0.011785220939084944,0.011785220939084944,B,hcp,41.1708128402 +36,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,38.0,1.0,0.026751709026188186,0.026751709026188186,B,hcp,41.1769739389 +37,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,48.0,1.0,0.009135552707186058,0.009135552707186058,B,hcp,41.1697220788 +38,TetraBloechl,allKp_without_spin,VASP,Y,PBE,41.1659613407043,0.06115748109054,46.0,1.0,0.003030605517453004,0.003030605517453004,B,hcp,41.167208918600004 +0,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.8664586704876,1.06553821290621e-05,44.0,1.0,4.05947940551642e-05,4.05947940551642e-05,E0,hcp,-12.866463893599999 +1,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.8664586704876,1.06553821290621e-05,26.0,1.0,0.00015603351406633892,-0.00015603351406633892,E0,hcp,-12.8664385945 +2,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.8664586704876,1.06553821290621e-05,38.0,1.0,1.179258131011732e-05,-1.179258131011732e-05,E0,hcp,-12.866457153199999 +3,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.8664586704876,1.06553821290621e-05,48.0,1.0,3.667489307976592e-07,-3.667489307976592e-07,E0,hcp,-12.8664586233 +4,TetraBloechl,allKp_without_spin,VASP,Y,PBE,-12.8664586704876,1.06553821290621e-05,12.0,1.0,0.0009292247032707363,0.0009292247032707363,E0,hcp,-12.866578228800002 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+23,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,42.0,1.0,0.00020053203344585325,0.00020053203344585325,v0,hcp,65.5469426666 +24,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,18.0,1.0,0.0004843606281820403,-0.0004843606281820403,v0,hcp,65.5464937413 +25,TetraBloechl,allKp_with_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,6.0,1.0,0.5565880471262911,-0.5565880471262911,v0,hcp,65.1819855077 +26,TetraBloechl,allKp_with_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,10.0,1.0,2.1519167187569166,-2.1519167187569166,v0,hcp,64.1362984349 +27,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,8.0,1.0,0.0016836780200168641,0.0016836780200168641,v0,hcp,65.5479148215 +28,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,6.0,1.0,0.05629309169649165,-0.05629309169649165,v0,hcp,65.5099128977 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+35,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,20.0,1.0,0.0009722469201685472,0.0009722469201685472,v0,hcp,65.54744850109999 +36,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,38.0,1.0,0.00010068293510426752,0.00010068293510426752,v0,hcp,65.5468772187 +37,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,48.0,1.0,0.000216624339063264,-0.000216624339063264,v0,hcp,65.5466692339 +38,TetraBloechl,allKp_without_spin,VASP,Y,PBE,65.5468112242466,0.000321652566625156,46.0,1.0,0.00022911023527264916,0.00022911023527264916,v0,hcp,65.5469613987 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-1.4917645442775602,1.5075941920712399e-05,66.0,1.0,4359.837091695644,-4359.837091695644,B,bcc,63.546739377899996 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-1.4917645442775602,1.5075941920712399e-05,64.0,1.0,4353.288634965343,-4353.288634965343,B,bcc,63.44905182220001 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-1.4917645442775602,1.5075941920712399e-05,64.0,1.0,4353.288634965343,-4353.288634965343,B,bcc,63.44905182220001 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-1.4917645442775602,1.5075941920712399e-05,66.0,1.0,4359.837091695644,-4359.837091695644,B,bcc,63.546739377899996 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,29.8665214216717,0.000194864701138856,66.0,1.0,103.42724909221351,-103.42724909221351,E0,bcc,-1.0236000843000002 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,29.8665214216717,0.000194864701138856,64.0,1.0,103.42724200903173,-103.42724200903173,E0,bcc,-1.0235979687999999 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,29.8665214216717,0.000194864701138856,64.0,1.0,103.42724200903173,-103.42724200903173,E0,bcc,-1.0235979687999999 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,29.8665214216717,0.000194864701138856,66.0,1.0,103.42724909221351,-103.42724909221351,E0,bcc,-1.0236000843000002 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-9.485997249827241,1.79048646604179e-06,66.0,1.0,155.4882080689604,-155.4882080689604,dB,bcc,5.2636098914 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-9.485997249827241,1.79048646604179e-06,64.0,1.0,156.7187853359117,-156.7187853359117,dB,bcc,5.3803424171000005 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-9.485997249827241,1.79048646604179e-06,64.0,1.0,156.7187853359117,-156.7187853359117,dB,bcc,5.3803424171000005 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-9.485997249827241,1.79048646604179e-06,66.0,1.0,155.4882080689604,-155.4882080689604,dB,bcc,5.2636098914 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.959758638275571,0.00320218175027734,66.0,1.0,159.04909046227942,159.04909046227942,v0,bcc,15.438700546199998 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.959758638275571,0.00320218175027734,64.0,1.0,159.03725541923808,159.03725541923808,v0,bcc,15.437995206199998 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.959758638275571,0.00320218175027734,64.0,1.0,159.03725541923808,159.03725541923808,v0,bcc,15.437995206199998 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.959758638275571,0.00320218175027734,66.0,1.0,159.04909046227942,159.04909046227942,v0,bcc,15.438700546199998 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.1043607546149503,0.00384503591548195,68.0,1.0,2129.923559895226,2129.923559895226,B,fcc,69.2248718513 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.1043607546149503,0.00384503591548195,70.0,1.0,2129.094824428134,2129.094824428134,B,fcc,69.1991449127 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.1043607546149503,0.00384503591548195,68.0,1.0,2129.923559895226,2129.923559895226,B,fcc,69.2248718513 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.1043607546149503,0.00384503591548195,70.0,1.0,2129.094824428134,2129.094824428134,B,fcc,69.1991449127 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-7.27610478386974,5.91636297037e-06,68.0,1.0,85.08943490334124,-85.08943490334124,E0,fcc,-1.0849083403 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-7.27610478386974,5.91636297037e-06,70.0,1.0,85.08930573532787,-85.08930573532787,E0,fcc,-1.0849177387 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-7.27610478386974,5.91636297037e-06,68.0,1.0,85.08943490334124,-85.08943490334124,E0,fcc,-1.0849083403 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-7.27610478386974,5.91636297037e-06,70.0,1.0,85.08930573532787,-85.08930573532787,E0,fcc,-1.0849177387 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,57.831685943074596,0.00913242285459879,68.0,1.0,90.8103694570979,-90.8103694570979,dB,fcc,5.3145182749 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,57.831685943074596,0.00913242285459879,70.0,1.0,90.76864252538826,-90.76864252538826,dB,fcc,5.338649663 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,57.831685943074596,0.00913242285459879,68.0,1.0,90.8103694570979,-90.8103694570979,dB,fcc,5.3145182749 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,57.831685943074596,0.00913242285459879,70.0,1.0,90.76864252538826,-90.76864252538826,dB,fcc,5.338649663 +0,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.68813320347922,0.00572837190625391,68.0,1.0,312.7901400615933,312.7901400615933,v0,fcc,15.224250216300002 +1,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.68813320347922,0.00572837190625391,70.0,1.0,312.77385643877204,312.77385643877204,v0,fcc,15.2236496546 +2,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.68813320347922,0.00572837190625391,68.0,1.0,312.7901400615933,312.7901400615933,v0,fcc,15.224250216300002 +3,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,3.68813320347922,0.00572837190625391,70.0,1.0,312.77385643877204,312.77385643877204,v0,fcc,15.2236496546 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,58.0,1.0,0.009121862104862391,-0.009121862104862391,B,hcp,74.0577586385 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,52.0,1.0,0.00949451694654496,-0.00949451694654496,B,hcp,74.0574826335 +2,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.028132406300503864,0.028132406300503864,B,hcp,74.0853508316 +3,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,20.0,1.0,0.2099387053667806,0.2099387053667806,B,hcp,74.22000478470001 +4,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,40.0,1.0,0.0499141297952661,0.0499141297952661,B,hcp,74.10148335939999 +5,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,8.0,1.0,0.6248500419750379,0.6248500419750379,B,hcp,74.5273068526 +6,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,24.0,1.0,0.32487456330522474,0.32487456330522474,B,hcp,74.30513147010001 +7,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,54.0,1.0,0.0008524614018386862,0.0008524614018386862,B,hcp,74.06514607279999 +8,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,56.0,1.0,0.05152771182549479,0.05152771182549479,B,hcp,74.10267845109999 +9,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,36.0,1.0,0.020595229661316883,0.020595229661316883,B,hcp,74.0797684583 +10,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.03708168521864746,0.03708168521864746,B,hcp,74.0919790716 +11,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,58.0,1.0,0.009121862104862391,-0.009121862104862391,B,hcp,74.0577586385 +12,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,52.0,1.0,0.00949451694654496,-0.00949451694654496,B,hcp,74.0574826335 +13,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.028132406300503864,0.028132406300503864,B,hcp,74.0853508316 +14,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,20.0,1.0,0.2099387053667806,0.2099387053667806,B,hcp,74.22000478470001 +15,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,40.0,1.0,0.0499141297952661,0.0499141297952661,B,hcp,74.10148335939999 +16,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,8.0,1.0,0.6248500419750379,0.6248500419750379,B,hcp,74.5273068526 +17,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,24.0,1.0,0.32487456330522474,0.32487456330522474,B,hcp,74.30513147010001 +18,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,54.0,1.0,0.0008524614018386862,0.0008524614018386862,B,hcp,74.06514607279999 +19,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,56.0,1.0,0.05152771182549479,0.05152771182549479,B,hcp,74.10267845109999 +20,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,36.0,1.0,0.020595229661316883,0.020595229661316883,B,hcp,74.0797684583 +21,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.03708168521864746,0.03708168521864746,B,hcp,74.0919790716 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,58.0,1.0,0.0001244323677623366,-0.0001244323677623366,E0,hcp,-2.2142989489 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,52.0,1.0,7.344942909667966e-05,7.344942909667966e-05,E0,hcp,-2.2143033306 +2,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,42.0,1.0,0.0032820772265267496,0.0032820772265267496,E0,hcp,-2.2143743793 +3,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,20.0,1.0,0.014658770637391126,-0.014658770637391126,E0,hcp,-2.2139771148 +4,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,40.0,1.0,0.0010088865450384944,0.0010088865450384944,E0,hcp,-2.214324044 +5,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,8.0,1.0,0.13335333222333945,-0.13335333222333945,E0,hcp,-2.2113488591 +6,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,24.0,1.0,0.03259057655009996,0.03259057655009996,E0,hcp,-2.2150233579 +7,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,54.0,1.0,0.003278270157230209,0.003278270157230209,E0,hcp,-2.214374295 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+14,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,20.0,1.0,0.014658770637391126,-0.014658770637391126,E0,hcp,-2.2139771148 +15,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,40.0,1.0,0.0010088865450384944,0.0010088865450384944,E0,hcp,-2.214324044 +16,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,8.0,1.0,0.13335333222333945,-0.13335333222333945,E0,hcp,-2.2113488591 +17,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,24.0,1.0,0.03259057655009996,0.03259057655009996,E0,hcp,-2.2150233579 +18,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,54.0,1.0,0.003278270157230209,0.003278270157230209,E0,hcp,-2.214374295 +19,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,56.0,1.0,0.0013799064464476054,0.0013799064464476054,E0,hcp,-2.2143322595 +20,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,36.0,1.0,0.00344841408986658,0.00344841408986658,E0,hcp,-2.2143780625 +21,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,-2.21430170420804,1.7227445226698902e-05,42.0,1.0,0.0030959282481759767,0.0030959282481759767,E0,hcp,-2.2143702574 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,58.0,1.0,0.7054952191059127,0.7054952191059127,dB,hcp,5.3555215445 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,52.0,1.0,1.0508462486895052,1.0508462486895052,dB,hcp,5.3738873236 +2,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.884411028086708,0.884411028086708,dB,hcp,5.3650362931 +3,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,20.0,1.0,5.424665421220137,5.424665421220137,dB,hcp,5.6064871709 +4,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,40.0,1.0,1.057999074281625,1.057999074281625,dB,hcp,5.3742677111 +5,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,8.0,1.0,2.62489486885489,-2.62489486885489,dB,hcp,5.1784112902 +6,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,24.0,1.0,0.044015968134737966,0.044015968134737966,dB,hcp,5.3203440562 +7,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,54.0,1.0,0.7986682548098595,0.7986682548098595,dB,hcp,5.3604764896 +8,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,56.0,1.0,0.415333796960196,-0.415333796960196,dB,hcp,5.2959158206 +9,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,36.0,1.0,1.1361914441751189,1.1361914441751189,dB,hcp,5.3784259839 +10,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.6793012901969198,0.6793012901969198,dB,hcp,5.3541285505000005 +11,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,58.0,1.0,0.7054952191059127,0.7054952191059127,dB,hcp,5.3555215445 +12,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,52.0,1.0,1.0508462486895052,1.0508462486895052,dB,hcp,5.3738873236 +13,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.884411028086708,0.884411028086708,dB,hcp,5.3650362931 +14,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,20.0,1.0,5.424665421220137,5.424665421220137,dB,hcp,5.6064871709 +15,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,40.0,1.0,1.057999074281625,1.057999074281625,dB,hcp,5.3742677111 +16,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,8.0,1.0,2.62489486885489,-2.62489486885489,dB,hcp,5.1784112902 +17,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,24.0,1.0,0.044015968134737966,0.044015968134737966,dB,hcp,5.3203440562 +18,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,54.0,1.0,0.7986682548098595,0.7986682548098595,dB,hcp,5.3604764896 +19,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,56.0,1.0,0.415333796960196,-0.415333796960196,dB,hcp,5.2959158206 +20,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,36.0,1.0,1.1361914441751189,1.1361914441751189,dB,hcp,5.3784259839 +21,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.6793012901969198,0.6793012901969198,dB,hcp,5.3541285505000005 +0,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,58.0,1.0,0.022714546915286443,-0.022714546915286443,v0,hcp,30.602377313 +1,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,52.0,1.0,0.034726407971877225,-0.034726407971877225,v0,hcp,30.5987005628 +2,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.04847442006001995,-0.04847442006001995,v0,hcp,30.594492388400003 +3,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,20.0,1.0,0.2870353915039029,-0.2870353915039029,v0,hcp,30.5214704732 +4,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,40.0,1.0,0.08370101688699526,-0.08370101688699526,v0,hcp,30.5837097631 +5,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,8.0,1.0,2.440447695853055,-2.440447695853055,v0,hcp,29.8623253929 +6,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,24.0,1.0,0.17116191925514915,-0.17116191925514915,v0,hcp,30.5569385668 +7,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,54.0,1.0,0.0314796688329192,-0.0314796688329192,v0,hcp,30.5996943679 +8,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,56.0,1.0,0.013617375587499208,-0.013617375587499208,v0,hcp,30.6051618962 +9,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,36.0,1.0,0.06058747640548754,-0.06058747640548754,v0,hcp,30.590784663 +10,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.05304749988953894,-0.05304749988953894,v0,hcp,30.593092599299997 +11,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,58.0,1.0,0.022714546915286443,-0.022714546915286443,v0,hcp,30.602377313 +12,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,52.0,1.0,0.034726407971877225,-0.034726407971877225,v0,hcp,30.5987005628 +13,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.04847442006001995,-0.04847442006001995,v0,hcp,30.594492388400003 +14,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,20.0,1.0,0.2870353915039029,-0.2870353915039029,v0,hcp,30.5214704732 +15,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,40.0,1.0,0.08370101688699526,-0.08370101688699526,v0,hcp,30.5837097631 +16,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,8.0,1.0,2.440447695853055,-2.440447695853055,v0,hcp,29.8623253929 +17,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,24.0,1.0,0.17116191925514915,-0.17116191925514915,v0,hcp,30.5569385668 +18,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,54.0,1.0,0.0314796688329192,-0.0314796688329192,v0,hcp,30.5996943679 +19,TetraBloechl,allKp_without_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,56.0,1.0,0.013617375587499208,-0.013617375587499208,v0,hcp,30.6051618962 +20,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,36.0,1.0,0.06058747640548754,-0.06058747640548754,v0,hcp,30.590784663 +21,TetraBloechl,allKp_with_spin,VASP,Zn,PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.05304749988953894,-0.05304749988953894,v0,hcp,30.593092599299997 +0,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,7.0,1.0,1.0106277797479544,1.0106277797479544,B,bcc,78.096891 +1,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,9.0,1.0,0.5966811302229224,0.5966811302229224,B,bcc,77.77684599999998 +2,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,11.0,1.0,0.41496858140929055,0.41496858140929055,B,bcc,77.636354 +3,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,13.0,1.0,0.2506044255093832,0.2506044255093832,B,bcc,77.509275 +4,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,15.0,1.0,0.1415073112261235,0.1415073112261235,B,bcc,77.424926 +5,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,17.0,1.0,0.08172500533887461,0.08172500533887461,B,bcc,77.37870500000002 +6,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,19.0,1.0,0.04301738178485299,0.04301738178485299,B,bcc,77.348778 +7,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,21.0,1.0,0.004327865850410278,0.004327865850410278,B,bcc,77.318865 +8,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,23.0,1.0,0.009484367648902856,-0.009484367648902856,B,bcc,77.30818599999998 +9,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,25.0,1.0,0.024824108195852,-0.024824108195852,B,bcc,77.29632600000002 +10,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,27.0,1.0,0.03860530006168532,-0.03860530006168532,B,bcc,77.285671 +11,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,29.0,1.0,0.0438461625150335,-0.0438461625150335,B,bcc,77.28161899999998 +12,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,31.0,1.0,0.04437645708706612,-0.04437645708706612,B,bcc,77.28120899999998 +13,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,33.0,1.0,0.04370000815737792,-0.04370000815737792,B,bcc,77.28173199999998 +14,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,35.0,1.0,0.035537351952273435,-0.035537351952273435,B,bcc,77.288043 +15,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,37.0,1.0,0.03392060020828185,-0.03392060020828185,B,bcc,77.289293 +16,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,39.0,1.0,0.03507431425276816,-0.03507431425276816,B,bcc,77.28840100000002 +17,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,41.0,1.0,0.010419496857601759,-0.010419496857601759,B,bcc,77.307463 +18,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,43.0,1.0,0.007259717249123978,-0.007259717249123978,B,bcc,77.30990600000001 +19,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,45.0,1.0,0.015591809036975528,-0.015591809036975528,B,bcc,77.303464 +20,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,47.0,1.0,0.010419496857601759,-0.010419496857601759,B,bcc,77.307463 +21,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,49.0,1.0,0.007259717249123978,-0.007259717249123978,B,bcc,77.30990600000001 +22,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,51.0,1.0,0.007259717249123978,-0.007259717249123978,B,bcc,77.30990600000001 +23,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,53.0,1.0,0.00899804872428772,-0.00899804872428772,B,bcc,77.308562 +24,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,55.0,1.0,0.00624957075949101,-0.00624957075949101,B,bcc,77.310687 +25,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,57.0,1.0,0.007259717249123978,-0.007259717249123978,B,bcc,77.30990600000001 +26,Tetra,allKp,DMol3,Ag,PBE,77.31551888806098,0.00109212746148396,59.0,1.0,0.004239624991360505,-0.004239624991360505,B,bcc,77.312241 +0,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,7.0,1.0,0.3654373825486668,0.3654373825486668,E0,bcc,-2.55334 +1,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,9.0,1.0,0.12947440049088546,0.12947440049088546,E0,bcc,-2.5473369999999997 +2,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,11.0,1.0,0.05176345337639601,0.05176345337639601,E0,bcc,-2.54536 +3,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,13.0,1.0,0.011827023296320498,0.011827023296320498,E0,bcc,-2.5443439999999997 +4,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,15.0,1.0,0.004437211431105965,0.004437211431105965,E0,bcc,-2.544156 +5,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,17.0,1.0,0.0034152161731479773,0.0034152161731479773,E0,bcc,-2.54413 +6,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,19.0,1.0,0.001646378226684917,0.001646378226684917,E0,bcc,-2.544085 +7,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,21.0,1.0,0.0022450652555303266,-0.0022450652555303266,E0,bcc,-2.543986 +8,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,23.0,1.0,0.002441602805129575,-0.002441602805129575,E0,bcc,-2.543981 +9,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,25.0,1.0,0.0013016850174085474,-0.0013016850174085474,E0,bcc,-2.5440099999999997 +10,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,27.0,1.0,0.0010265324479556347,-0.0010265324479556347,E0,bcc,-2.5440169999999998 +11,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,29.0,1.0,0.0017340676265338768,-0.0017340676265338768,E0,bcc,-2.5439990000000003 +12,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,31.0,1.0,0.0016947601166245009,-0.0016947601166245009,E0,bcc,-2.544 +13,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,33.0,1.0,0.0011444549777186752,-0.0011444549777186752,E0,bcc,-2.5440139999999998 +14,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,35.0,1.0,0.0006334573487396817,-0.0006334573487396817,E0,bcc,-2.5440270000000003 +15,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,37.0,1.0,0.0011051474677918431,-0.0011051474677918431,E0,bcc,-2.5440150000000004 +16,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,39.0,1.0,0.0009872249380462588,-0.0009872249380462588,E0,bcc,-2.544018 +17,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,41.0,1.0,0.00039761228921360097,-0.00039761228921360097,E0,bcc,-2.544033 +18,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,43.0,1.0,0.0002010747396143525,-0.0002010747396143525,E0,bcc,-2.544038 +19,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,45.0,1.0,0.00039761228921360097,-0.00039761228921360097,E0,bcc,-2.544033 +20,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,47.0,1.0,0.00039761228921360097,-0.00039761228921360097,E0,bcc,-2.544033 +21,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,49.0,1.0,0.0002010747396143525,-0.0002010747396143525,E0,bcc,-2.544038 +22,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,51.0,1.0,0.0002010747396143525,-0.0002010747396143525,E0,bcc,-2.544038 +23,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,53.0,1.0,0.00024038224954118462,-0.00024038224954118462,E0,bcc,-2.544037 +24,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,55.0,1.0,0.0002796897594505607,-0.0002796897594505607,E0,bcc,-2.544036 +25,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,57.0,1.0,0.0002010747396143525,-0.0002010747396143525,E0,bcc,-2.544038 +26,Tetra,allKp,DMol3,Ag,PBE,-2.54404311542807,1.10550444039602e-06,59.0,1.0,0.00012245971976068823,-0.00012245971976068823,E0,bcc,-2.5440400000000003 +0,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,7.0,1.0,0.20248448060644986,-0.20248448060644986,v0,bcc,18.486 +1,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,9.0,1.0,0.1549772785848798,-0.1549772785848798,v0,bcc,18.4948 +2,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,11.0,1.0,0.11826716793186062,-0.11826716793186062,v0,bcc,18.5016 +3,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,13.0,1.0,0.0826367664156927,-0.0826367664156927,v0,bcc,18.5082 +4,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,15.0,1.0,0.052944765152206634,-0.052944765152206634,v0,bcc,18.5137 +5,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,17.0,1.0,0.03944840094152765,-0.03944840094152765,v0,bcc,18.5162 +6,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,19.0,1.0,0.031350582415124104,-0.031350582415124104,v0,bcc,18.5177 +7,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,21.0,1.0,0.023792618457146184,-0.023792618457146184,v0,bcc,18.5191 +8,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,23.0,1.0,0.01677450906761306,-0.01677450906761306,v0,bcc,18.5204 +9,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,25.0,1.0,0.01299552708861451,-0.01299552708861451,v0,bcc,18.5211 +10,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,27.0,1.0,0.010296254246486388,-0.010296254246486388,v0,bcc,18.5216 +11,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,29.0,1.0,0.008676690541209514,-0.008676690541209514,v0,bcc,18.5219 +12,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,31.0,1.0,0.005437563130636587,-0.005437563130636587,v0,bcc,18.5225 +13,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,33.0,1.0,0.004357853993785338,-0.004357853993785338,v0,bcc,18.5227 +14,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,35.0,1.0,0.0038179994253597135,-0.0038179994253597135,v0,bcc,18.5228 +15,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,37.0,1.0,0.00219843572008284,-0.00219843572008284,v0,bcc,18.5231 +16,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,39.0,1.0,0.0016585811516572151,-0.0016585811516572151,v0,bcc,18.5232 +17,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,41.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +18,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,43.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +19,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,45.0,1.0,3.9017446380341215e-05,-3.9017446380341215e-05,v0,bcc,18.5235 +20,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,47.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +21,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,49.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +22,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,51.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +23,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,53.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +24,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,55.0,1.0,0.0011187265832315904,-0.0011187265832315904,v0,bcc,18.5233 +25,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,57.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +26,Tetra,allKp,DMol3,Ag,PBE,18.5235072273995,3.51178259325173e-05,59.0,1.0,0.0005788720148059657,-0.0005788720148059657,v0,bcc,18.5234 +0,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,7.0,1.0,1.3871112872666704,1.3871112872666704,dB,bcc,5.728015 +1,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,9.0,1.0,1.0935000795388223,1.0935000795388223,dB,bcc,5.711427 +2,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,11.0,1.0,1.3869342850917747,1.3869342850917747,dB,bcc,5.7280050000000005 +3,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,13.0,1.0,1.1586191796853569,1.1586191796853569,dB,bcc,5.715106 +4,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,15.0,1.0,0.7850914899891694,0.7850914899891694,dB,bcc,5.6940029999999995 +5,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,17.0,1.0,0.7096177626108525,0.7096177626108525,dB,bcc,5.689739 +6,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,19.0,1.0,0.6587650377614362,0.6587650377614362,dB,bcc,5.686866 +7,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,21.0,1.0,0.5275887259413796,0.5275887259413796,dB,bcc,5.679455 +8,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,23.0,1.0,0.4091211702793196,0.4091211702793196,dB,bcc,5.6727620000000005 +9,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,25.0,1.0,0.4040412078596227,0.4040412078596227,dB,bcc,5.672475 +10,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,27.0,1.0,0.3380370968385631,0.3380370968385631,dB,bcc,5.668746 +11,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,29.0,1.0,0.3153277177986068,0.3153277177986068,dB,bcc,5.667463 +12,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,31.0,1.0,0.22912765862122395,0.22912765862122395,dB,bcc,5.662593 +13,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,33.0,1.0,0.1813724718325896,0.1813724718325896,dB,bcc,5.659895 +14,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,35.0,1.0,0.1545743425523702,0.1545743425523702,dB,bcc,5.658380999999999 +15,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,37.0,1.0,0.07917141604403984,0.07917141604403984,dB,bcc,5.654121 +16,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,39.0,1.0,0.10209319769390852,0.10209319769390852,dB,bcc,5.6554160000000016 +17,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,41.0,1.0,0.01737995678567654,0.01737995678567654,dB,bcc,5.6506300000000005 +18,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,43.0,1.0,0.01272479958574144,0.01272479958574144,dB,bcc,5.650367 +19,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,45.0,1.0,0.046854132486349,-0.046854132486349,dB,bcc,5.647001 +20,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,47.0,1.0,0.01737995678567654,0.01737995678567654,dB,bcc,5.6506300000000005 +21,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,49.0,1.0,0.01272479958574144,0.01272479958574144,dB,bcc,5.650367 +22,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,51.0,1.0,0.01272479958574144,0.01272479958574144,dB,bcc,5.650367 +23,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,53.0,1.0,0.01212630577053267,-0.01212630577053267,dB,bcc,5.648963 +24,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,55.0,1.0,0.02738057966765192,0.02738057966765192,dB,bcc,5.6511949999999995 +25,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,57.0,1.0,0.01272479958574144,0.01272479958574144,dB,bcc,5.650367 +26,Tetra,allKp,DMol3,Ag,PBE,5.6496480936027895,0.0006210756710676611,59.0,1.0,0.031168426210539123,0.031168426210539123,dB,bcc,5.651408999999999 +0,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,7.0,1.0,0.7526797315882994,0.7526797315882994,B,fcc,80.494853 +1,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,9.0,1.0,0.7253646220150105,0.7253646220150105,B,fcc,80.47303000000002 +2,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,11.0,1.0,0.5917730461606555,0.5917730461606555,B,fcc,80.366299 +3,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,13.0,1.0,0.4381222691872525,0.4381222691872525,B,fcc,80.243542 +4,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,15.0,1.0,0.09474394287954416,0.09474394287954416,B,fcc,79.969205 +5,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,17.0,1.0,0.16090951691906302,0.16090951691906302,B,fcc,80.022067 +6,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,19.0,1.0,0.06844894118791904,0.06844894118791904,B,fcc,79.948197 +7,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,21.0,1.0,0.05735601978047888,-0.05735601978047888,B,fcc,79.847687 +8,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,23.0,1.0,0.09243145925133954,-0.09243145925133954,B,fcc,79.819664 +9,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,25.0,1.0,0.12029855358027484,-0.12029855358027484,B,fcc,79.7974 +10,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,27.0,1.0,0.06480343314991263,-0.06480343314991263,B,fcc,79.841737 +11,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,29.0,1.0,0.055508560598400175,-0.055508560598400175,B,fcc,79.849163 +12,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,31.0,1.0,0.000900276094117677,0.000900276094117677,B,fcc,79.89423000000002 +13,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,33.0,1.0,0.0041959129683251505,0.0041959129683251505,B,fcc,79.896863 +14,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,35.0,1.0,0.010355957255708908,-0.010355957255708908,B,fcc,79.885237 +15,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,37.0,1.0,0.008685639313911956,0.008685639313911956,B,fcc,79.90045 +16,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,39.0,1.0,0.03513334427125132,0.03513334427125132,B,fcc,79.92158 +17,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,41.0,1.0,0.010496800178677188,0.010496800178677188,B,fcc,79.90189699999998 +18,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,43.0,1.0,0.008718182632826204,0.008718182632826204,B,fcc,79.900476 +19,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,45.0,1.0,0.009412201006875495,-0.009412201006875495,B,fcc,79.885991 +20,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,47.0,1.0,0.027829216186347632,-0.027829216186347632,B,fcc,79.871277 +21,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,49.0,1.0,0.024037919531556862,-0.024037919531556862,B,fcc,79.874306 +22,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,51.0,1.0,0.019496874875379988,-0.019496874875379988,B,fcc,79.877934 +23,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,53.0,1.0,0.009897847458530628,-0.009897847458530628,B,fcc,79.885603 +24,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,55.0,1.0,0.0009077860907382025,0.0009077860907382025,B,fcc,79.89423599999998 +25,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,57.0,1.0,0.0009077860907382025,0.0009077860907382025,B,fcc,79.89423599999998 +26,Tetra,allKp,DMol3,Ag,PBE,79.8935107378221,0.00381801900387939,59.0,1.0,0.00017115009822518058,-0.00017115009822518058,B,fcc,79.893374 +0,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,7.0,1.0,0.36344097631445416,0.36344097631445416,E0,fcc,-2.590989 +1,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,9.0,1.0,0.1871553881150344,0.1871553881150344,E0,fcc,-2.5864380000000002 +2,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,11.0,1.0,0.04894686719755962,0.04894686719755962,E0,fcc,-2.58287 +3,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,13.0,1.0,0.017803467304715798,0.017803467304715798,E0,fcc,-2.582066 +4,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,15.0,1.0,0.00210661670639367,-0.00210661670639367,E0,fcc,-2.581552 +5,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,17.0,1.0,0.005825231618958429,-0.005825231618958429,E0,fcc,-2.581456 +6,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,19.0,1.0,0.007723274647260849,-0.007723274647260849,E0,fcc,-2.581407 +7,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,21.0,1.0,0.003501097298599004,-0.003501097298599004,E0,fcc,-2.581516 +8,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,23.0,1.0,0.004856842318810103,-0.004856842318810103,E0,fcc,-2.581481 +9,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,25.0,1.0,0.0019129388463536832,-0.0019129388463536832,E0,fcc,-2.581557 +10,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,27.0,1.0,0.000286044822096925,-0.000286044822096925,E0,fcc,-2.581599 +11,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,29.0,1.0,0.0006436089060399642,0.0006436089060399642,E0,fcc,-2.581623 +12,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,31.0,1.0,0.0017282049222054024,0.0017282049222054024,E0,fcc,-2.581651 +13,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,33.0,1.0,0.002231767358285285,0.002231767358285285,E0,fcc,-2.581664 +14,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,35.0,1.0,0.0016507337781997292,0.0016507337781997292,E0,fcc,-2.581649 +15,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,37.0,1.0,0.0019993539262510625,0.0019993539262510625,E0,fcc,-2.581658 +16,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,39.0,1.0,0.0016119982061882914,0.0016119982061882914,E0,fcc,-2.581648 +17,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,41.0,1.0,0.0009922290540912977,0.0009922290540912977,E0,fcc,-2.581632 +18,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,43.0,1.0,0.0007210800500456378,0.0007210800500456378,E0,fcc,-2.581625 +19,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,45.0,1.0,0.0003337243300000685,0.0003337243300000685,E0,fcc,-2.581615 +20,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,47.0,1.0,0.0001013108979486442,0.0001013108979486442,E0,fcc,-2.581609 +21,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,49.0,1.0,5.3631390062702646e-05,-5.3631390062702646e-05,E0,fcc,-2.5816049999999997 +22,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,51.0,1.0,9.236696207414038e-05,-9.236696207414038e-05,E0,fcc,-2.581604 +23,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,53.0,1.0,6.257532595440851e-05,6.257532595440851e-05,E0,fcc,-2.581608 +24,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,55.0,1.0,0.00021751761396575538,0.00021751761396575538,E0,fcc,-2.581612 +25,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,57.0,1.0,0.00021751761396575538,0.00021751761396575538,E0,fcc,-2.581612 +26,Tetra,allKp,DMol3,Ag,PBE,-2.58160638455139,3.10452007492118e-06,59.0,1.0,0.00029498875798863083,0.00029498875798863083,E0,fcc,-2.581614 +0,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,7.0,1.0,0.17928733353787946,-0.17928733353787946,v0,fcc,18.3322 +1,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,9.0,1.0,0.07310782987786672,-0.07310782987786672,v0,fcc,18.3517 +2,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,11.0,1.0,0.05731703189765841,-0.05731703189765841,v0,fcc,18.3546 +3,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,13.0,1.0,0.030091518138687236,-0.030091518138687236,v0,fcc,18.3596 +4,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,15.0,1.0,0.009113221674244405,0.009113221674244405,v0,fcc,18.3668 +5,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,17.0,1.0,0.033071673782146004,0.033071673782146004,v0,fcc,18.3712 +6,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,19.0,1.0,0.04287285873537408,0.04287285873537408,v0,fcc,18.373 +7,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,21.0,1.0,0.03252716350694839,0.03252716350694839,v0,fcc,18.3711 +8,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,23.0,1.0,0.01782538607711595,0.01782538607711595,v0,fcc,18.3684 +9,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,25.0,1.0,0.01183577305013572,0.01183577305013572,v0,fcc,18.3673 +10,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,27.0,1.0,0.002034588096907644,0.002034588096907644,v0,fcc,18.3655 +11,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,29.0,1.0,0.0017769838293595398,-0.0017769838293595398,v0,fcc,18.3648 +12,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,31.0,1.0,0.0028660043797160656,-0.0028660043797160656,v0,fcc,18.3646 +13,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,33.0,1.0,0.0028660043797160656,-0.0028660043797160656,v0,fcc,18.3646 +14,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,35.0,1.0,0.005588555755607379,-0.005588555755607379,v0,fcc,18.3641 +15,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,37.0,1.0,0.006133066030785642,-0.006133066030785642,v0,fcc,18.364 +16,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,39.0,1.0,0.010489148232231087,-0.010489148232231087,v0,fcc,18.3632 +17,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,41.0,1.0,0.008311107131498692,-0.008311107131498692,v0,fcc,18.3636 +18,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,43.0,1.0,0.00776659685632043,-0.00776659685632043,v0,fcc,18.3637 +19,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,45.0,1.0,0.00776659685632043,-0.00776659685632043,v0,fcc,18.3637 +20,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,47.0,1.0,0.006133066030785642,-0.006133066030785642,v0,fcc,18.364 +21,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,49.0,1.0,0.0044995352052508535,-0.0044995352052508535,v0,fcc,18.3643 +22,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,51.0,1.0,0.0034105146548943283,-0.0034105146548943283,v0,fcc,18.3645 +23,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,53.0,1.0,0.0017769838293595398,-0.0017769838293595398,v0,fcc,18.3648 +24,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,55.0,1.0,0.0017769838293595398,-0.0017769838293595398,v0,fcc,18.3648 +25,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,57.0,1.0,0.0017769838293595398,-0.0017769838293595398,v0,fcc,18.3648 +26,Tetra,allKp,DMol3,Ag,PBE,18.365126345325397,0.000135825769025747,59.0,1.0,0.0012324735541812772,-0.0012324735541812772,v0,fcc,18.3649 +0,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,7.0,1.0,0.5332482799598317,-0.5332482799598317,dB,fcc,5.626284 +1,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,9.0,1.0,0.13412847249337248,-0.13412847249337248,dB,fcc,5.64886 +2,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,11.0,1.0,0.2288699257274503,-0.2288699257274503,dB,fcc,5.6435010000000005 +3,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,13.0,1.0,0.20723422959600585,0.20723422959600585,dB,fcc,5.668169 +4,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,15.0,1.0,0.4562034482385888,-0.4562034482385888,dB,fcc,5.630642 +5,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,17.0,1.0,0.9947040389290684,-0.9947040389290684,dB,fcc,5.600182 +6,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,19.0,1.0,1.2899777377377275,-1.2899777377377275,dB,fcc,5.5834800000000016 +7,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,21.0,1.0,0.9374596228865342,-0.9374596228865342,dB,fcc,5.60342 +8,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,23.0,1.0,0.5672095286373292,-0.5672095286373292,dB,fcc,5.624363 +9,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,25.0,1.0,0.1673648845254817,-0.1673648845254817,dB,fcc,5.64698 +10,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,27.0,1.0,0.04741658876075207,0.04741658876075207,dB,fcc,5.659129 +11,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,29.0,1.0,0.2809730990566168,0.2809730990566168,dB,fcc,5.67234 +12,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,31.0,1.0,0.1884768715289476,0.1884768715289476,dB,fcc,5.667108 +13,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,33.0,1.0,0.06177189012782532,0.06177189012782532,dB,fcc,5.659941000000001 +14,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,35.0,1.0,0.09108357690931948,0.09108357690931948,dB,fcc,5.661599 +15,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,37.0,1.0,0.13593505421010366,0.13593505421010366,dB,fcc,5.664136 +16,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,39.0,1.0,0.33408064253771,0.33408064253771,dB,fcc,5.675344 +17,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,41.0,1.0,0.21232576505624925,0.21232576505624925,dB,fcc,5.668457 +18,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,43.0,1.0,0.1826781783659044,0.1826781783659044,dB,fcc,5.66678 +19,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,45.0,1.0,0.2497344075349449,0.2497344075349449,dB,fcc,5.670573 +20,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,47.0,1.0,0.20383987262251024,0.20383987262251024,dB,fcc,5.667977 +21,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,49.0,1.0,0.15506367007114233,0.15506367007114233,dB,fcc,5.665218 +22,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,51.0,1.0,0.11949363761974505,0.11949363761974505,dB,fcc,5.663206 +23,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,53.0,1.0,0.01994351200654057,0.01994351200654057,dB,fcc,5.657575 +24,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,55.0,1.0,0.05416994482259782,0.05416994482259782,dB,fcc,5.659511 +25,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,57.0,1.0,0.05416994482259782,0.05416994482259782,dB,fcc,5.659511 +26,Tetra,allKp,DMol3,Ag,PBE,5.656446905832191,0.00137835389032014,59.0,1.0,0.038594796418193716,0.038594796418193716,dB,fcc,5.6586300000000005 +0,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,7.0,1.0,0.13708944392585526,0.13708944392585526,B,bcc,67.95779300000001 +1,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,9.0,1.0,3.1132880954616047,3.1132880954616047,B,bcc,69.977583 +2,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,11.0,1.0,1.1430872907214034,1.1430872907214034,B,bcc,68.640511 +3,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,13.0,1.0,0.3635339277451541,0.3635339277451541,B,bcc,68.111469 +4,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,15.0,1.0,0.2021511955237372,0.2021511955237372,B,bcc,68.001947 +5,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,17.0,1.0,0.10810998790131517,-0.10810998790131517,B,bcc,67.791389 +6,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,19.0,1.0,0.044697103904042385,-0.044697103904042385,B,bcc,67.834424 +7,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,21.0,1.0,0.07246532742837057,0.07246532742837057,B,bcc,67.91393599999999 +8,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,23.0,1.0,0.08217876373162945,0.08217876373162945,B,bcc,67.920528 +9,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,25.0,1.0,0.002116829502529871,-0.002116829502529871,B,bcc,67.863321 +10,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,27.0,1.0,0.07058388317821045,-0.07058388317821045,B,bcc,67.816856 +11,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,29.0,1.0,0.09588125490970746,-0.09588125490970746,B,bcc,67.799688 +12,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,31.0,1.0,0.06419593960467769,0.06419593960467769,B,bcc,67.908324 +13,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,33.0,1.0,0.027760478165331202,-0.027760478165331202,B,bcc,67.84591800000001 +14,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,35.0,1.0,0.06158781122836202,0.06158781122836202,B,bcc,67.906554 +15,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,37.0,1.0,0.02890074243060935,0.02890074243060935,B,bcc,67.884371 +16,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,39.0,1.0,0.03061149782321041,0.03061149782321041,B,bcc,67.885532 +17,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,41.0,1.0,0.004051320431522214,0.004051320431522214,B,bcc,67.86750699999999 +18,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,43.0,1.0,0.030250485703334606,0.030250485703334606,B,bcc,67.885287 +19,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,45.0,1.0,0.03011786900621216,0.03011786900621216,B,bcc,67.88519699999999 +20,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,47.0,1.0,7.134599964499085e-05,7.134599964499085e-05,B,bcc,67.864806 +21,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,49.0,1.0,0.0039719897430980046,-0.0039719897430980046,B,bcc,67.862062 +22,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,51.0,1.0,0.0009719053508896543,-0.0009719053508896543,B,bcc,67.864098 +23,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,53.0,1.0,0.044963571487274236,0.044963571487274236,B,bcc,67.89527199999999 +24,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,55.0,1.0,0.027830967740658588,0.027830967740658588,B,bcc,67.883645 +25,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,57.0,1.0,0.020535575881222755,0.020535575881222755,B,bcc,67.878694 +26,Tetra,allKp,DMol3,Al,PBE,67.8647575812103,0.007414681122574021,59.0,1.0,0.019524981275361137,-0.019524981275361137,B,bcc,67.851507 +0,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,7.0,1.0,0.042691841753624636,0.042691841753624636,E0,bcc,-3.662736 +1,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,9.0,1.0,0.21621425357183868,-0.21621425357183868,E0,bcc,-3.653257 +2,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,11.0,1.0,0.10655115717412317,0.10655115717412317,E0,bcc,-3.6650739999999997 +3,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,13.0,1.0,0.03793805521871058,-0.03793805521871058,E0,bcc,-3.6597839999999997 +4,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,15.0,1.0,0.04220019604037063,0.04220019604037063,E0,bcc,-3.662718 +5,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,17.0,1.0,0.015732057170437123,-0.015732057170437123,E0,bcc,-3.660597 +6,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,19.0,1.0,0.011035320550723895,0.011035320550723895,E0,bcc,-3.661577 +7,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,21.0,1.0,0.00021911485931765733,0.00021911485931765733,E0,bcc,-3.6611809999999996 +8,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,23.0,1.0,0.0055179631020801576,0.0055179631020801576,E0,bcc,-3.661375 +9,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,25.0,1.0,0.0018852475542090856,0.0018852475542090856,E0,bcc,-3.6612419999999997 +10,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,27.0,1.0,0.0016382133907274338,-0.0016382133907274338,E0,bcc,-3.661113 +11,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,29.0,1.0,0.0012285086296804054,-0.0012285086296804054,E0,bcc,-3.6611279999999997 +12,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,31.0,1.0,0.0009280584715921893,-0.0009280584715921893,E0,bcc,-3.661139 +13,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,33.0,1.0,0.0002464285100573604,0.0002464285100573604,E0,bcc,-3.661182 +14,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,35.0,1.0,0.0009007448208524859,-0.0009007448208524859,E0,bcc,-3.66114 +15,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,37.0,1.0,0.0006561332710922593,0.0006561332710922593,E0,bcc,-3.661197 +16,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,39.0,1.0,0.000572981012024567,-0.000572981012024567,E0,bcc,-3.6611519999999995 +17,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,41.0,1.0,2.7919304163994587e-05,2.7919304163994587e-05,E0,bcc,-3.661174 +18,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,43.0,1.0,0.00010864894951026179,-0.00010864894951026179,E0,bcc,-3.661169 +19,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,45.0,1.0,0.0003556831129919136,0.0003556831129919136,E0,bcc,-3.6611860000000003 +20,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,47.0,1.0,0.00021790355245694475,-0.00021790355245694475,E0,bcc,-3.661165 +21,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,49.0,1.0,0.0003271581554036277,-0.0003271581554036277,E0,bcc,-3.661161 +22,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,51.0,1.0,0.0002452172031966479,-0.0002452172031966479,E0,bcc,-3.661164 +23,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,53.0,1.0,0.00027374216078493387,0.00027374216078493387,E0,bcc,-3.6611830000000003 +24,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,55.0,1.0,0.00041031041447132,0.00041031041447132,E0,bcc,-3.6611879999999997 +25,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,57.0,1.0,0.00010986025637097437,0.00010986025637097437,E0,bcc,-3.6611769999999995 +26,Tetra,allKp,DMol3,Al,PBE,-3.66117297782598,4.78398124156661e-06,59.0,1.0,0.0002725308539242213,-0.0002725308539242213,E0,bcc,-3.6611629999999997 +0,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,7.0,1.0,0.1370250798256432,-0.1370250798256432,v0,bcc,16.945999999999998 +1,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,9.0,1.0,0.4428723829270641,-0.4428723829270641,v0,bcc,16.8941 +2,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,11.0,1.0,0.055676400163138615,0.055676400163138615,v0,bcc,16.9787 +3,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,13.0,1.0,0.15823992165926173,-0.15823992165926173,v0,bcc,16.9424 +4,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,15.0,1.0,0.029747149033148783,0.029747149033148783,v0,bcc,16.9743 +5,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,17.0,1.0,0.009736028823869274,-0.009736028823869274,v0,bcc,16.9676 +6,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,19.0,1.0,0.016782523468164345,0.016782523468164345,v0,bcc,16.9721 +7,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,21.0,1.0,0.022111353226830856,-0.022111353226830856,v0,bcc,16.9655 +8,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,23.0,1.0,0.022675535088602303,0.022675535088602303,v0,bcc,16.9731 +9,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,25.0,1.0,0.0020751137172789922,-0.0020751137172789922,v0,bcc,16.9689 +10,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,27.0,1.0,0.00737882417569409,-0.00737882417569409,v0,bcc,16.968 +11,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,29.0,1.0,0.0008713920929399869,0.0008713920929399869,v0,bcc,16.9694 +12,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,31.0,1.0,0.00030721023114760467,-0.00030721023114760467,v0,bcc,16.9692 +13,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,33.0,1.0,0.003817897903158966,0.003817897903158966,v0,bcc,16.9699 +14,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,35.0,1.0,0.00737882417569409,-0.00737882417569409,v0,bcc,16.968 +15,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,37.0,1.0,0.0008713920929399869,0.0008713920929399869,v0,bcc,16.9694 +16,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,39.0,1.0,0.006789523013650294,-0.006789523013650294,v0,bcc,16.9681 +17,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,41.0,1.0,0.004996500227246558,0.004996500227246558,v0,bcc,16.9701 +18,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,43.0,1.0,0.0014858125552351966,-0.0014858125552351966,v0,bcc,16.969 +19,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,45.0,1.0,0.0014858125552351966,-0.0014858125552351966,v0,bcc,16.969 +20,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,47.0,1.0,0.0026644148793227877,-0.0026644148793227877,v0,bcc,16.9688 +21,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,49.0,1.0,0.0008965113931914006,-0.0008965113931914006,v0,bcc,16.9691 +22,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,51.0,1.0,0.0032285967411151703,0.0032285967411151703,v0,bcc,16.9698 +23,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,53.0,1.0,0.000282090930896191,0.000282090930896191,v0,bcc,16.9693 +24,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,55.0,1.0,0.00030721023114760467,-0.00030721023114760467,v0,bcc,16.9692 +25,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,57.0,1.0,0.0026644148793227877,-0.0026644148793227877,v0,bcc,16.9688 +26,Tetra,allKp,DMol3,Al,PBE,16.969252131278697,0.000158810595783774,59.0,1.0,0.0008713920929399869,0.0008713920929399869,v0,bcc,16.9694 +0,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,7.0,1.0,11.568831759908875,-11.568831759908875,dB,bcc,3.647899 +1,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,9.0,1.0,3.10901533673782,3.10901533673782,dB,bcc,4.253379 +2,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,11.0,1.0,0.16984038888669578,-0.16984038888669578,dB,bcc,4.1181220000000005 +3,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,13.0,1.0,2.0836896103723572,2.0836896103723572,dB,bcc,4.211083 +4,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,15.0,1.0,0.03296543262770788,0.03296543262770788,dB,bcc,4.126488 +5,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,17.0,1.0,0.344883016350626,0.344883016350626,dB,bcc,4.139355 +6,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,19.0,1.0,0.06693449451321858,-0.06693449451321858,dB,bcc,4.122367 +7,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,21.0,1.0,0.4463344104502848,0.4463344104502848,dB,bcc,4.14354 +8,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,23.0,1.0,1.3234045560615673,-1.3234045560615673,dB,bcc,4.070536 +9,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,25.0,1.0,0.1229085133844433,-0.1229085133844433,dB,bcc,4.120058 +10,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,27.0,1.0,0.1984875637896356,0.1984875637896356,dB,bcc,4.1333160000000015 +11,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,29.0,1.0,0.12661100859115085,0.12661100859115085,dB,bcc,4.130351 +12,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,31.0,1.0,0.3251810181317874,-0.3251810181317874,dB,bcc,4.111714 +13,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,33.0,1.0,0.10496319618231906,0.10496319618231906,dB,bcc,4.1294580000000005 +14,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,35.0,1.0,0.03708651673688858,0.03708651673688858,dB,bcc,4.126658 +15,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,37.0,1.0,0.060946801719286375,-0.060946801719286375,dB,bcc,4.122614 +16,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,39.0,1.0,0.20600248187106632,0.20600248187106632,dB,bcc,4.1336260000000005 +17,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,41.0,1.0,0.1993425027742328,-0.1993425027742328,dB,bcc,4.116905 +18,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,43.0,1.0,0.03706227506565469,0.03706227506565469,dB,bcc,4.126657 +19,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,45.0,1.0,0.00153046553330081,-0.00153046553330081,dB,bcc,4.125065 +20,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,47.0,1.0,0.14423470357571594,0.14423470357571594,dB,bcc,4.131078 +21,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,49.0,1.0,0.01151803408026576,-0.01151803408026576,dB,bcc,4.1246529999999995 +22,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,51.0,1.0,0.12652052239779835,-0.12652052239779835,dB,bcc,4.119909 +23,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,53.0,1.0,0.07217069549896463,-0.07217069549896463,dB,bcc,4.1221510000000015 +24,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,55.0,1.0,0.05440155048703922,-0.05440155048703922,dB,bcc,4.122884 +25,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,57.0,1.0,0.11509621475666584,0.11509621475666584,dB,bcc,4.129876 +26,Tetra,allKp,DMol3,Al,PBE,4.12512813366429,0.0016956697621104198,59.0,1.0,0.03122651279066588,-0.03122651279066588,dB,bcc,4.12384 +0,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,7.0,1.0,5.067267182114605,5.067267182114605,B,fcc,82.128036 +1,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,10.0,1.0,1.5826221159044072,1.5826221159044072,B,fcc,79.40419 +2,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,12.0,1.0,1.3027260608335685,-1.3027260608335685,B,fcc,77.148797 +3,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,15.0,1.0,0.7479517389346382,-0.7479517389346382,B,fcc,77.582448 +4,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,17.0,1.0,0.15501302315467422,-0.15501302315467422,B,fcc,78.04593100000002 +5,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,20.0,1.0,0.13743482185765013,0.13743482185765013,B,fcc,78.274529 +6,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,22.0,1.0,0.17669222061743894,-0.17669222061743894,B,fcc,78.02898499999998 +7,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,25.0,1.0,0.12075261160663228,0.12075261160663228,B,fcc,78.261489 +8,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,27.0,1.0,0.12737816121479506,0.12737816121479506,B,fcc,78.26666800000002 +9,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,30.0,1.0,0.05573292956695821,0.05573292956695821,B,fcc,78.210665 +10,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,33.0,1.0,0.007958354443192203,0.007958354443192203,B,fcc,78.173321 +11,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,35.0,1.0,0.0665921915819223,-0.0665921915819223,B,fcc,78.115047 +12,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,37.0,1.0,0.02095615016023803,0.02095615016023803,B,fcc,78.183481 +13,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,40.0,1.0,0.012240207028332228,0.012240207028332228,B,fcc,78.176668 +14,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,42.0,1.0,0.014717425978524453,-0.014717425978524453,B,fcc,78.155596 +15,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,45.0,1.0,0.028472099947412507,0.028472099947412507,B,fcc,78.189356 +16,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,47.0,1.0,0.009724276698646842,-0.009724276698646842,B,fcc,78.159499 +17,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,49.0,1.0,0.05673894132477385,-0.05673894132477385,B,fcc,78.122749 +18,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,51.0,1.0,0.012096118554880438,-0.012096118554880438,B,fcc,78.157645 +19,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,53.0,1.0,0.029000928850623976,-0.029000928850623976,B,fcc,78.14443100000003 +20,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,55.0,1.0,0.02030626037439029,0.02030626037439029,B,fcc,78.182973 +21,Tetra,allKp,DMol3,Al,PBE,78.1671001851093,0.0105421582445207,57.0,1.0,0.0021285360295451093,0.0021285360295451093,B,fcc,78.168764 +0,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,7.0,1.0,0.5517035659148064,0.5517035659148064,E0,fcc,-3.7871620000000004 +1,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,10.0,1.0,0.01942798203755921,-0.01942798203755921,E0,fcc,-3.765651 +2,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,12.0,1.0,0.06610406689183615,-0.06610406689183615,E0,fcc,-3.763893 +3,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,15.0,1.0,0.10685935144889648,-0.10685935144889648,E0,fcc,-3.7623580000000003 +4,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,17.0,1.0,0.026823292033060664,0.026823292033060664,E0,fcc,-3.767393 +5,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,20.0,1.0,0.013135472304650031,-0.013135472304650031,E0,fcc,-3.765888 +6,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,22.0,1.0,0.0071350199854984565,-0.0071350199854984565,E0,fcc,-3.766114 +7,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,25.0,1.0,0.015418830266805269,-0.015418830266805269,E0,fcc,-3.765802 +8,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,27.0,1.0,0.009724657990872763,0.009724657990872763,E0,fcc,-3.766749 +9,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,30.0,1.0,0.0009487129484947027,-0.0009487129484947027,E0,fcc,-3.766347 +10,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,33.0,1.0,0.002541753387205737,-0.002541753387205737,E0,fcc,-3.766287 +11,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,35.0,1.0,0.0020903919295782152,-0.0020903919295782152,E0,fcc,-3.766304 +12,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,37.0,1.0,0.002874584104407064,0.002874584104407064,E0,fcc,-3.7664910000000003 +13,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,40.0,1.0,0.00032571940247648305,0.00032571940247648305,E0,fcc,-3.7663949999999997 +14,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,42.0,1.0,0.0002849460990327543,-0.0002849460990327543,E0,fcc,-3.766372 +15,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,45.0,1.0,0.0009629355779561805,0.0009629355779561805,E0,fcc,-3.7664190000000004 +16,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,47.0,1.0,0.00013986468462430765,0.00013986468462430765,E0,fcc,-3.7663879999999996 +17,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,49.0,1.0,0.0016921318198916133,-0.0016921318198916133,E0,fcc,-3.766319 +18,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,51.0,1.0,0.0008301822080685071,0.0008301822080685071,E0,fcc,-3.766414 +19,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,53.0,1.0,0.0005770035128021427,-0.0005770035128021427,E0,fcc,-3.766361 +20,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,55.0,1.0,0.0006443274902163317,0.0006443274902163317,E0,fcc,-3.766407 +21,Tetra,allKp,DMol3,Al,PBE,-3.76638273216067,1.81957686849912e-05,57.0,1.0,0.00036459812096771636,-0.00036459812096771636,E0,fcc,-3.766369 +0,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,7.0,1.0,0.4399156555488186,-0.4399156555488186,v0,fcc,16.3874 +1,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,10.0,1.0,0.3657957201714981,-0.3657957201714981,v0,fcc,16.3996 +2,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,12.0,1.0,0.15254902084822364,-0.15254902084822364,v0,fcc,16.4347 +3,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,15.0,1.0,0.08328940910219143,-0.08328940910219143,v0,fcc,16.4461 +4,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,17.0,1.0,0.03214327714116677,0.03214327714116677,v0,fcc,16.4651 +5,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,20.0,1.0,0.009777014178781912,-0.009777014178781912,v0,fcc,16.4582 +6,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,22.0,1.0,0.0030940691857603785,-0.0030940691857603785,v0,fcc,16.4593 +7,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,25.0,1.0,0.017675040079647125,-0.017675040079647125,v0,fcc,16.4569 +8,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,27.0,1.0,0.01756230624728002,0.01756230624728002,v0,fcc,16.4627 +9,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,30.0,1.0,0.004196416261193787,0.004196416261193787,v0,fcc,16.4605 +10,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,33.0,1.0,0.005411497169015884,0.005411497169015884,v0,fcc,16.4607 +11,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,35.0,1.0,0.007346852363137717,-0.007346852363137717,v0,fcc,16.4586 +12,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,37.0,1.0,0.013917063523792149,0.013917063523792149,v0,fcc,16.4621 +13,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,40.0,1.0,0.0017662544455495934,0.0017662544455495934,v0,fcc,16.4601 +14,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,42.0,1.0,0.0005511735377274963,0.0005511735377274963,v0,fcc,16.4599 +15,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,45.0,1.0,0.0006639073700946006,-0.0006639073700946006,v0,fcc,16.4597 +16,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,47.0,1.0,0.006019037622926932,0.006019037622926932,v0,fcc,16.4608 +17,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,49.0,1.0,0.0037016096396714267,-0.0037016096396714267,v0,fcc,16.4592 +18,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,51.0,1.0,0.0066265780768379814,0.0066265780768379814,v0,fcc,16.4609 +19,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,53.0,1.0,0.0018789882779382816,-0.0018789882779382816,v0,fcc,16.4595 +20,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,55.0,1.0,0.0011587139916385447,0.0011587139916385447,v0,fcc,16.46 +21,Tetra,allKp,DMol3,Al,PBE,16.4598092778869,0.000293564647320921,57.0,1.0,0.0005511735377274963,0.0005511735377274963,v0,fcc,16.4599 +0,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,7.0,1.0,0.2659144242056988,-0.2659144242056988,dB,fcc,5.0219190000000005 +1,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,10.0,1.0,7.5946166873216905,7.5946166873216905,dB,fcc,5.417721 +2,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,12.0,1.0,3.2580602450045735,3.2580602450045735,dB,fcc,5.199362000000002 +3,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,15.0,1.0,1.9607812689832111,1.9607812689832111,dB,fcc,5.13404 +4,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,17.0,1.0,0.4708428008094314,0.4708428008094314,dB,fcc,5.059017 +5,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,20.0,1.0,0.2957989121555004,0.2957989121555004,dB,fcc,5.050203 +6,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,22.0,1.0,0.3893383625253714,0.3893383625253714,dB,fcc,5.054913 +7,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,25.0,1.0,0.5477000562088769,0.5477000562088769,dB,fcc,5.062887 +8,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,27.0,1.0,0.018243408162688463,-0.018243408162688463,dB,fcc,5.03439 +9,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,30.0,1.0,0.21995894901334875,-0.21995894901334875,dB,fcc,5.0242330000000015 +10,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,33.0,1.0,0.4748589162102136,-0.4748589162102136,dB,fcc,5.011398000000002 +11,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,35.0,1.0,0.44079499010675255,0.44079499010675255,dB,fcc,5.057504 +12,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,37.0,1.0,0.6807052862916934,-0.6807052862916934,dB,fcc,5.0010330000000005 +13,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,40.0,1.0,0.0512106029851936,-0.0512106029851936,dB,fcc,5.03273 +14,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,42.0,1.0,0.0037656460990769533,-0.0037656460990769533,dB,fcc,5.035119 +15,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,45.0,1.0,0.1322538221776124,0.1322538221776124,dB,fcc,5.041968 +16,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,47.0,1.0,0.3748054658995531,-0.3748054658995531,dB,fcc,5.016436 +17,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,49.0,1.0,0.15002830372347614,0.15002830372347614,dB,fcc,5.042863 +18,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,51.0,1.0,0.2996164299971361,-0.2996164299971361,dB,fcc,5.020222 +19,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,53.0,1.0,0.0439374876139637,0.0439374876139637,dB,fcc,5.037521 +20,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,55.0,1.0,0.0211583475769793,0.0211583475769793,dB,fcc,5.0363739999999995 +21,Tetra,allKp,DMol3,Al,PBE,5.0353086119023205,0.00444627907999661,57.0,1.0,0.0452129566981992,-0.0452129566981992,dB,fcc,5.033032 +0,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,7.0,1.0,2.7396070285581757,2.7396070285581757,B,bcc,125.786592 +1,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,9.0,1.0,0.6906122411131023,0.6906122411131023,B,bcc,123.27795800000001 +2,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,11.0,1.0,0.7013169217019289,0.7013169217019289,B,bcc,123.29106399999999 +3,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,13.0,1.0,0.4381390904851737,0.4381390904851737,B,bcc,122.968849 +4,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,15.0,1.0,0.34273217495796693,0.34273217495796693,B,bcc,122.85203999999999 +5,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,17.0,1.0,0.2574818825897672,0.2574818825897672,B,bcc,122.747666 +6,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,19.0,1.0,0.1954158080236293,0.1954158080236293,B,bcc,122.671677 +7,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,21.0,1.0,0.15577108145409996,0.15577108145409996,B,bcc,122.623139 +8,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,23.0,1.0,0.11736948962104815,0.11736948962104815,B,bcc,122.576123 +9,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,25.0,1.0,0.0908356689581319,0.0908356689581319,B,bcc,122.54363700000002 +10,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,27.0,1.0,0.08912533772410641,0.08912533772410641,B,bcc,122.54154299999999 +11,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,29.0,1.0,0.06171511523972181,0.06171511523972181,B,bcc,122.50798400000001 +12,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,31.0,1.0,0.06358553478408482,0.06358553478408482,B,bcc,122.510274 +13,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,33.0,1.0,0.05412807281720505,0.05412807281720505,B,bcc,122.498695 +14,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,35.0,1.0,0.050054805451384334,0.050054805451384334,B,bcc,122.49370800000001 +15,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,37.0,1.0,0.04500140557323685,0.04500140557323685,B,bcc,122.487521 +16,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,39.0,1.0,0.038808601649504997,0.038808601649504997,B,bcc,122.47993899999999 +17,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,41.0,1.0,0.03092588591908273,0.03092588591908273,B,bcc,122.47028799999998 +18,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,43.0,1.0,0.030966724773764463,0.030966724773764463,B,bcc,122.47033799999998 +19,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,45.0,1.0,0.0278450027220084,0.0278450027220084,B,bcc,122.466516 +20,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,47.0,1.0,0.025867585378385974,0.025867585378385974,B,bcc,122.464095 +21,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,49.0,1.0,0.021978092858627264,0.021978092858627264,B,bcc,122.459333 +22,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,51.0,1.0,0.01514166858513266,0.01514166858513266,B,bcc,122.45096299999999 +23,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,53.0,1.0,0.01514166858513266,0.01514166858513266,B,bcc,122.45096299999999 +24,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,55.0,1.0,0.012181668397897222,0.012181668397897222,B,bcc,122.44733899999999 +25,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,57.0,1.0,0.009509173747617007,0.009509173747617007,B,bcc,122.44406699999999 +26,Tetra,allKp,DMol3,Au,PBE,122.432424688013,0.00139503373129591,59.0,1.0,0.01070820252103508,0.01070820252103508,B,bcc,122.445535 +0,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,7.0,1.0,0.4604850895836961,0.4604850895836961,E0,bcc,-3.037619 +1,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,9.0,1.0,0.16323291938554635,0.16323291938554635,E0,bcc,-3.0286310000000003 +2,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,11.0,1.0,0.07688162695257844,0.07688162695257844,E0,bcc,-3.02602 +3,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,13.0,1.0,0.047348228200134,0.047348228200134,E0,bcc,-3.025127 +4,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,15.0,1.0,0.0309775312432954,0.0309775312432954,E0,bcc,-3.024632 +5,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,17.0,1.0,0.017947117907950668,0.017947117907950668,E0,bcc,-3.024238 +6,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,19.0,1.0,0.01301937276336755,0.01301937276336755,E0,bcc,-3.024089 +7,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,21.0,1.0,0.01004288240758806,0.01004288240758806,E0,bcc,-3.0239990000000003 +8,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,23.0,1.0,0.006371877635434076,0.006371877635434076,E0,bcc,-3.023888 +9,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,25.0,1.0,0.004850560342482727,0.004850560342482727,E0,bcc,-3.0238419999999997 +10,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,27.0,1.0,0.004453694961699399,0.004453694961699399,E0,bcc,-3.02383 +11,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,29.0,1.0,0.002932377668748048,0.002932377668748048,E0,bcc,-3.023784 +12,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,31.0,1.0,0.002700872863294779,0.002700872863294779,E0,bcc,-3.023777 +13,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,33.0,1.0,0.002370151712649349,0.002370151712649349,E0,bcc,-3.023767 +14,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,35.0,1.0,0.002006358446949658,0.002006358446949658,E0,bcc,-3.023756 +15,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,37.0,1.0,0.0016425651812352802,0.0016425651812352802,E0,bcc,-3.023745 +16,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,39.0,1.0,0.0014441324908509596,0.0014441324908509596,E0,bcc,-3.023739 +17,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,41.0,1.0,0.0011464834552744796,0.0011464834552744796,E0,bcc,-3.02373 +18,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,43.0,1.0,0.0010141949950133703,0.0010141949950133703,E0,bcc,-3.023726 +19,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,45.0,1.0,0.0009149786498212102,0.0009149786498212102,E0,bcc,-3.023723 +20,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,47.0,1.0,0.0009149786498212102,0.0009149786498212102,E0,bcc,-3.023723 +21,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,49.0,1.0,0.000749618074505839,0.000749618074505839,E0,bcc,-3.023718 +22,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,51.0,1.0,0.0005842574991904677,0.0005842574991904677,E0,bcc,-3.0237130000000003 +23,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,53.0,1.0,0.0005842574991904677,0.0005842574991904677,E0,bcc,-3.0237130000000003 +24,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,55.0,1.0,0.0004850411539836208,0.0004850411539836208,E0,bcc,-3.02371 +25,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,57.0,1.0,0.00038582480879146067,0.00038582480879146067,E0,bcc,-3.023707 +26,Tetra,allKp,DMol3,Au,PBE,-3.02369533383326,7.658849325841859e-07,59.0,1.0,0.0004519690389293586,0.0004519690389293586,E0,bcc,-3.023709 +0,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,7.0,1.0,0.18645741204258665,-0.18645741204258665,v0,bcc,18.4666 +1,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,9.0,1.0,0.03349350665451579,-0.03349350665451579,v0,bcc,18.4949 +2,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,11.0,1.0,0.029709947157293377,-0.029709947157293377,v0,bcc,18.4956 +3,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,13.0,1.0,0.017278251666381337,-0.017278251666381337,v0,bcc,18.4979 +4,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,15.0,1.0,0.012954183669555723,-0.012954183669555723,v0,bcc,18.4987 +5,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,17.0,1.0,0.006468081674298105,-0.006468081674298105,v0,bcc,18.4999 +6,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,19.0,1.0,0.0037655391762820975,-0.0037655391762820975,v0,bcc,18.5004 +7,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,21.0,1.0,0.0026845221770756948,-0.0026845221770756948,v0,bcc,18.5006 +8,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,23.0,1.0,0.0016035051778500893,-0.0016035051778500893,v0,bcc,18.5008 +9,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,25.0,1.0,0.0010629966782468878,-0.0010629966782468878,v0,bcc,18.5009 +10,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,27.0,1.0,0.0010629966782468878,-0.0010629966782468878,v0,bcc,18.5009 +11,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,29.0,1.0,1.8020320959514988e-05,1.8020320959514988e-05,v0,bcc,18.5011 +12,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,31.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +13,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,33.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +14,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,35.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +15,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,37.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +16,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,39.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +17,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,41.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +18,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,43.0,1.0,0.0010990373201659178,0.0010990373201659178,v0,bcc,18.5013 +19,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,45.0,1.0,0.0010990373201659178,0.0010990373201659178,v0,bcc,18.5013 +20,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,47.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +21,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,49.0,1.0,0.0010990373201659178,0.0010990373201659178,v0,bcc,18.5013 +22,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,51.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +23,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,53.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +24,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,55.0,1.0,0.0005585288205627165,0.0005585288205627165,v0,bcc,18.5012 +25,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,57.0,1.0,1.8020320959514988e-05,1.8020320959514988e-05,v0,bcc,18.5011 +26,Tetra,allKp,DMol3,Au,PBE,18.501096666043,2.90243925417768e-05,59.0,1.0,1.8020320959514988e-05,1.8020320959514988e-05,v0,bcc,18.5011 +0,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,7.0,1.0,1.7215107787728232,1.7215107787728232,dB,bcc,5.9158370000000025 +1,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,9.0,1.0,0.7395607680353427,-0.7395607680353427,dB,bcc,5.7727080000000015 +2,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,11.0,1.0,1.09465015252863,-1.09465015252863,dB,bcc,5.752057 +3,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,13.0,1.0,0.7080771273880824,-0.7080771273880824,dB,bcc,5.774539 +4,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,15.0,1.0,0.3633733895092242,-0.3633733895092242,dB,bcc,5.794586 +5,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,17.0,1.0,0.3834053072340045,-0.3834053072340045,dB,bcc,5.7934209999999995 +6,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,19.0,1.0,0.3377703633356459,-0.3377703633356459,dB,bcc,5.796075 +7,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,21.0,1.0,0.2563014996617831,-0.2563014996617831,dB,bcc,5.800813 +8,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,23.0,1.0,0.17748063197899674,-0.17748063197899674,dB,bcc,5.805397 +9,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,25.0,1.0,0.11709256755886092,-0.11709256755886092,dB,bcc,5.808909 +10,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,27.0,1.0,0.1046607422240802,-0.1046607422240802,dB,bcc,5.809632 +11,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,29.0,1.0,0.08870398716089893,-0.08870398716089893,dB,bcc,5.81056 +12,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,31.0,1.0,0.11367080650543696,-0.11367080650543696,dB,bcc,5.809108 +13,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,33.0,1.0,0.12777052541902398,-0.12777052541902398,dB,bcc,5.808288 +14,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,35.0,1.0,0.08388944899528307,-0.08388944899528307,dB,bcc,5.81084 +15,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,37.0,1.0,0.07575631845121987,-0.07575631845121987,dB,bcc,5.811313 +16,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,39.0,1.0,0.06767477224465263,-0.06767477224465263,dB,bcc,5.811783 +17,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,41.0,1.0,0.07274723209771762,-0.07274723209771762,dB,bcc,5.811488 +18,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,43.0,1.0,0.08497272008254511,-0.08497272008254511,dB,bcc,5.810777 +19,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,45.0,1.0,0.08134462167916792,-0.08134462167916792,dB,bcc,5.810988 +20,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,47.0,1.0,0.06263670194991826,-0.06263670194991826,dB,bcc,5.812076 +21,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,49.0,1.0,0.0819808285081929,-0.0819808285081929,dB,bcc,5.810951 +22,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,51.0,1.0,0.05699681438448955,-0.05699681438448955,dB,bcc,5.812404 +23,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,53.0,1.0,0.05699681438448955,-0.05699681438448955,dB,bcc,5.812404 +24,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,55.0,1.0,0.0431722119375017,-0.0431722119375017,dB,bcc,5.813208 +25,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,57.0,1.0,0.025134888595622917,-0.025134888595622917,dB,bcc,5.814257 +26,Tetra,allKp,DMol3,Au,PBE,5.8157187744349885,0.0005204555383910129,59.0,1.0,0.007544629511965912,-0.007544629511965912,dB,bcc,5.8152800000000004 +0,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,7.0,1.0,1.4510639197931072,1.4510639197931072,B,fcc,125.898032 +1,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,9.0,1.0,0.12902469019839002,0.12902469019839002,B,fcc,124.25741699999999 +2,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,11.0,1.0,0.2989139614149675,0.2989139614149675,B,fcc,124.468245 +3,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,13.0,1.0,0.2132150789426094,0.2132150789426094,B,fcc,124.36189499999999 +4,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,15.0,1.0,0.013403319687975564,0.013403319687975564,B,fcc,124.11393400000001 +5,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,17.0,1.0,0.07854227399196771,-0.07854227399196771,B,fcc,123.99983200000001 +6,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,19.0,1.0,0.27663844395855863,-0.27663844395855863,B,fcc,123.754 +7,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,21.0,1.0,0.2129803309585309,-0.2129803309585309,B,fcc,123.832998 +8,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,23.0,1.0,0.18698218290769936,-0.18698218290769936,B,fcc,123.865261 +9,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,25.0,1.0,0.11584445517229615,-0.11584445517229615,B,fcc,123.95354099999999 +10,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,27.0,1.0,0.052036459782624896,-0.052036459782624896,B,fcc,124.032725 +11,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,29.0,1.0,0.018589318129779837,-0.018589318129779837,B,fcc,124.07423200000001 +12,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,31.0,1.0,0.01614849147243506,-0.01614849147243506,B,fcc,124.07726100000001 +13,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,33.0,1.0,0.007715592506057962,-0.007715592506057962,B,fcc,124.087726 +14,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,35.0,1.0,0.006335478614494084,0.006335478614494084,B,fcc,124.10516299999999 +15,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,37.0,1.0,0.015998057831472685,0.015998057831472685,B,fcc,124.117154 +16,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,39.0,1.0,0.029324697402020063,0.029324697402020063,B,fcc,124.133692 +17,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,41.0,1.0,0.03635144169124187,0.03635144169124187,B,fcc,124.14241200000001 +18,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,43.0,1.0,0.03256167352701396,0.03256167352701396,B,fcc,124.13770900000002 +19,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,45.0,1.0,0.021922441319357958,0.021922441319357958,B,fcc,124.12450600000001 +20,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,47.0,1.0,0.029458463405696887,0.029458463405696887,B,fcc,124.133858 +21,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,49.0,1.0,0.019528352181364627,0.019528352181364627,B,fcc,124.12153500000001 +22,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,51.0,1.0,0.019570254784932944,0.019570254784932944,B,fcc,124.121587 +23,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,53.0,1.0,0.008283949680008491,0.008283949680008491,B,fcc,124.10758100000001 +24,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,55.0,1.0,0.0038213224009104843,0.0038213224009104843,B,fcc,124.102043 +25,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,57.0,1.0,0.005260515669330663,0.005260515669330663,B,fcc,124.103829 +26,Tetra,allKp,DMol3,Au,PBE,124.09730084204399,0.00517339832240516,59.0,1.0,0.0010799251449586133,0.0010799251449586133,B,fcc,124.09864099999999 +0,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,7.0,1.0,0.3893870464324527,0.3893870464324527,E0,fcc,-3.057073 +1,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,9.0,1.0,0.12664700530209014,0.12664700530209014,E0,fcc,-3.0490720000000002 +2,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,11.0,1.0,0.06363011504722732,0.06363011504722732,E0,fcc,-3.047153 +3,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,13.0,1.0,0.015817404150374838,0.015817404150374838,E0,fcc,-3.045697 +4,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,15.0,1.0,0.0006460631927103286,0.0006460631927103286,E0,fcc,-3.045235 +5,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,17.0,1.0,0.0051991720680329145,-0.0051991720680329145,E0,fcc,-3.045057 +6,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,19.0,1.0,0.010650346524684384,-0.010650346524684384,E0,fcc,-3.044891 +7,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,21.0,1.0,0.010256285720578028,-0.010256285720578028,E0,fcc,-3.0449029999999997 +8,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,23.0,1.0,0.009271133710334013,-0.009271133710334013,E0,fcc,-3.0449330000000003 +9,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,25.0,1.0,0.0056260712724705295,-0.0056260712724705295,E0,fcc,-3.045044 +10,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,27.0,1.0,0.0029989992451677377,-0.0029989992451677377,E0,fcc,-3.045124 +11,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,29.0,1.0,0.0011272104257172332,-0.0011272104257172332,E0,fcc,-3.045181 +12,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,31.0,1.0,0.00047044241888788933,-0.00047044241888788933,E0,fcc,-3.045201 +13,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,33.0,1.0,8.781038691851124e-05,8.781038691851124e-05,E0,fcc,-3.045218 +14,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,35.0,1.0,0.0003505175896414989,0.0003505175896414989,E0,fcc,-3.045226 +15,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,37.0,1.0,0.0008102551944249561,0.0008102551944249561,E0,fcc,-3.04524 +16,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,39.0,1.0,0.0011386391978250446,0.0011386391978250446,E0,fcc,-3.04525 +17,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,41.0,1.0,0.0013028311995396725,0.0013028311995396725,E0,fcc,-3.045255 +18,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,43.0,1.0,0.0014013464005626153,0.0014013464005626153,E0,fcc,-3.045258 +19,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,45.0,1.0,0.0010401239968166848,0.0010401239968166848,E0,fcc,-3.0452470000000003 +20,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,47.0,1.0,0.0010729623971479437,0.0010729623971479437,E0,fcc,-3.045248 +21,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,49.0,1.0,0.0006132247923790697,0.0006132247923790697,E0,fcc,-3.045234 +22,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,51.0,1.0,0.0006132247923790697,0.0006132247923790697,E0,fcc,-3.045234 +23,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,53.0,1.0,0.0004161943903186,0.0004161943903186,E0,fcc,-3.045228 +24,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,55.0,1.0,0.0003176791892956567,0.0003176791892956567,E0,fcc,-3.045225 +25,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,57.0,1.0,0.0001863255879414545,0.0001863255879414545,E0,fcc,-3.0452209999999997 +26,Tetra,allKp,DMol3,Au,PBE,-3.04521532598464,4.99695957734169e-06,59.0,1.0,1.0704814119015186e-05,-1.0704814119015186e-05,E0,fcc,-3.0452150000000002 +0,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,7.0,1.0,0.28630850361933274,-0.28630850361933274,v0,fcc,18.3656 +1,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,9.0,1.0,0.0468731573747008,-0.0468731573747008,v0,fcc,18.4097 +2,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,11.0,1.0,0.010135258397832443,0.010135258397832443,v0,fcc,18.4202 +3,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,13.0,1.0,0.010496358738902877,-0.010496358738902877,v0,fcc,18.4164 +4,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,15.0,1.0,0.002895236635897156,-0.002895236635897156,v0,fcc,18.4178 +5,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,17.0,1.0,0.004162948174038104,0.004162948174038104,v0,fcc,18.4191 +6,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,19.0,1.0,0.013935819449325662,0.013935819449325662,v0,fcc,18.4209 +7,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,21.0,1.0,0.012849944863184744,0.012849944863184744,v0,fcc,18.4207 +8,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,23.0,1.0,0.009592321104761986,0.009592321104761986,v0,fcc,18.4201 +9,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,25.0,1.0,0.006334697346319943,0.006334697346319943,v0,fcc,18.4195 +10,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,27.0,1.0,0.0036200108809676438,0.0036200108809676438,v0,fcc,18.419 +11,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,29.0,1.0,0.0009053244156153482,0.0009053244156153482,v0,fcc,18.4185 +12,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,31.0,1.0,0.0025341362948267253,0.0025341362948267253,v0,fcc,18.4188 +13,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,33.0,1.0,0.003077073587897185,0.003077073587897185,v0,fcc,18.4189 +14,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,35.0,1.0,0.0019911990017562665,0.0019911990017562665,v0,fcc,18.4187 +15,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,37.0,1.0,0.0009053244156153482,0.0009053244156153482,v0,fcc,18.4185 +16,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,39.0,1.0,0.0009053244156153482,0.0009053244156153482,v0,fcc,18.4185 +17,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,41.0,1.0,0.0014482617086858075,0.0014482617086858075,v0,fcc,18.4186 +18,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,43.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +19,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,45.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +20,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,47.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +21,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,49.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +22,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,51.0,1.0,0.00018055017054485948,-0.00018055017054485948,v0,fcc,18.4183 +23,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,53.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +24,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,55.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +25,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,57.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +26,Tetra,allKp,DMol3,Au,PBE,18.4183332543321,2.06207730450574e-05,59.0,1.0,0.00036238712252559984,0.00036238712252559984,v0,fcc,18.4184 +0,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,7.0,1.0,0.4533026453122227,0.4533026453122227,dB,fcc,5.884137 +1,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,9.0,1.0,0.8208915397548779,-0.8208915397548779,dB,fcc,5.8095 +2,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,11.0,1.0,0.684350613777582,-0.684350613777582,dB,fcc,5.8174980000000005 +3,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,13.0,1.0,0.27426689498534695,-0.27426689498534695,dB,fcc,5.841519 +4,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,15.0,1.0,0.17338913409515289,-0.17338913409515289,dB,fcc,5.847428 +5,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,17.0,1.0,0.025392974143024345,-0.025392974143024345,dB,fcc,5.856097 +6,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,19.0,1.0,0.4292795991456058,-0.4292795991456058,dB,fcc,5.832439 +7,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,21.0,1.0,0.3275482440694788,-0.3275482440694788,dB,fcc,5.8383980000000015 +8,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,23.0,1.0,0.030975480118846845,-0.030975480118846845,dB,fcc,5.85577 +9,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,25.0,1.0,0.09728558225517052,0.09728558225517052,dB,fcc,5.863283 +10,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,27.0,1.0,0.08806676504740205,0.08806676504740205,dB,fcc,5.862743 +11,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,29.0,1.0,0.1739554120331103,0.1739554120331103,dB,fcc,5.867774 +12,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,31.0,1.0,0.03789249879994205,0.03789249879994205,dB,fcc,5.8598040000000005 +13,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,33.0,1.0,0.02479545821289864,-0.02479545821289864,dB,fcc,5.856132 +14,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,35.0,1.0,0.011598892098805021,-0.011598892098805021,dB,fcc,5.856905 +15,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,37.0,1.0,0.029919929103586426,0.029919929103586426,dB,fcc,5.859337 +16,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,39.0,1.0,0.022015646942112697,0.022015646942112697,dB,fcc,5.858874 +17,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,41.0,1.0,0.06738980808952848,-0.06738980808952848,dB,fcc,5.853637 +18,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,43.0,1.0,0.041560048024056315,-0.041560048024056315,dB,fcc,5.85515 +19,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,45.0,1.0,0.02471009879429626,-0.02471009879429626,dB,fcc,5.856137 +20,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,47.0,1.0,0.0066651177042848075,-0.0066651177042848075,dB,fcc,5.857194 +21,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,49.0,1.0,0.0006587204107836936,0.0006587204107836936,dB,fcc,5.857623 +22,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,51.0,1.0,0.02669334308087125,0.02669334308087125,dB,fcc,5.859148 +23,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,53.0,1.0,0.02185909421338609,-0.02185909421338609,dB,fcc,5.856304 +24,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,55.0,1.0,0.008218659122620726,-0.008218659122620726,dB,fcc,5.8571029999999995 +25,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,57.0,1.0,0.0076552869599359795,-0.0076552869599359795,dB,fcc,5.857136 +26,Tetra,allKp,DMol3,Au,PBE,5.85758441489588,0.000449195585299544,59.0,1.0,0.0046023255496527365,0.0046023255496527365,dB,fcc,5.857854 +0,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,7.0,1.0,0.049782186317768436,0.049782186317768436,B,bcc,251.643003 +1,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,9.0,1.0,0.332696565654355,0.332696565654355,B,bcc,252.35458300000002 +2,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,11.0,1.0,0.14798394233461484,-0.14798394233461484,B,bcc,251.14558599999998 +3,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,13.0,1.0,0.01792554866337808,-0.01792554866337808,B,bcc,251.47270600000002 +4,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,15.0,1.0,0.006881001959432269,-0.006881001959432269,B,bcc,251.500485 +5,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,17.0,1.0,0.025332579337428933,-0.025332579337428933,B,bcc,251.454076 +6,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,19.0,1.0,0.09456589689717523,0.09456589689717523,B,bcc,251.755642 +7,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,21.0,1.0,0.00108980592856441,0.00108980592856441,B,bcc,251.520533 +8,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,23.0,1.0,0.06983758199935518,-0.06983758199935518,B,bcc,251.34213799999998 +9,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,25.0,1.0,0.0011649497180136774,0.0011649497180136774,B,bcc,251.520722 +10,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,27.0,1.0,0.0019310983014311468,0.0019310983014311468,B,bcc,251.52264900000003 +11,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,29.0,1.0,0.014669317787341096,-0.014669317787341096,B,bcc,251.480896 +12,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,31.0,1.0,0.003524181777950583,-0.003524181777950583,B,bcc,251.50892799999997 +13,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,33.0,1.0,0.0012055035091543547,0.0012055035091543547,B,bcc,251.52082400000003 +14,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,35.0,1.0,0.003362806162787485,0.003362806162787485,B,bcc,251.52625 +15,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,37.0,1.0,0.010949501416627743,-0.010949501416627743,B,bcc,251.490252 +16,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,39.0,1.0,0.0065335116315097886,-0.0065335116315097886,B,bcc,251.50135899999998 +17,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,41.0,1.0,0.0015549817679982644,0.0015549817679982644,B,bcc,251.52170299999997 +18,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,43.0,1.0,0.0016535831425102375,0.0016535831425102375,B,bcc,251.52195099999997 +19,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,45.0,1.0,0.0002727219361634485,-0.0002727219361634485,B,bcc,251.517106 +20,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,47.0,1.0,0.008460611882567866,-0.008460611882567866,B,bcc,251.49651200000002 +21,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,49.0,1.0,0.003898354757409457,0.003898354757409457,B,bcc,251.52759700000001 +22,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,51.0,1.0,0.0048696134366230685,-0.0048696134366230685,B,bcc,251.505544 +23,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,53.0,1.0,0.0014638901540719414,-0.0014638901540719414,B,bcc,251.51411000000002 +24,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,55.0,1.0,0.0028474900867432305,-0.0028474900867432305,B,bcc,251.51063 +25,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,57.0,1.0,0.0022261072525826737,0.0022261072525826737,B,bcc,251.523391 +26,Tetra,allKp,DMol3,Cr,PBE,251.517791944192,0.00356621950219865,59.0,1.0,0.0014638901540719414,-0.0014638901540719414,B,bcc,251.51411000000002 +0,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,7.0,1.0,0.5306657114827628,-0.5306657114827628,E0,bcc,-4.064816 +1,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,9.0,1.0,0.03865563397744472,-0.03865563397744472,E0,bcc,-4.084922 +2,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,11.0,1.0,0.08081883717757214,-0.08081883717757214,E0,bcc,-4.083199 +3,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,13.0,1.0,0.05558943352150003,-0.05558943352150003,E0,bcc,-4.084230000000002 +4,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,15.0,1.0,0.02270066677696372,-0.02270066677696372,E0,bcc,-4.085573999999999 +5,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,17.0,1.0,0.02294537486283013,-0.02294537486283013,E0,bcc,-4.085564 +6,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,19.0,1.0,0.011395153208466196,-0.011395153208466196,E0,bcc,-4.086036 +7,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,21.0,1.0,0.01102809107961224,-0.01102809107961224,E0,bcc,-4.086051 +8,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,23.0,1.0,0.011860098571671062,-0.011860098571671062,E0,bcc,-4.086017 +9,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,25.0,1.0,0.006084987744489095,-0.006084987744489095,E0,bcc,-4.086253 +10,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,27.0,1.0,0.006354166638970405,-0.006354166638970405,E0,bcc,-4.0862419999999995 +11,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,29.0,1.0,0.0039315565885951545,-0.0039315565885951545,E0,bcc,-4.086341 +12,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,31.0,1.0,0.004151793865911875,-0.004151793865911875,E0,bcc,-4.086332 +13,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,33.0,1.0,0.00307507828794317,-0.00307507828794317,E0,bcc,-4.0863760000000005 +14,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,35.0,1.0,0.0025856621161668755,-0.0025856621161668755,E0,bcc,-4.086396 +15,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,37.0,1.0,0.0029527242450425647,-0.0029527242450425647,E0,bcc,-4.086380999999999 +16,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,39.0,1.0,0.0018760086670521266,-0.0018760086670521266,E0,bcc,-4.086425 +17,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,41.0,1.0,0.0020717751357756846,-0.0020717751357756846,E0,bcc,-4.086417 +18,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,43.0,1.0,0.0010929427921796263,-0.0010929427921796263,E0,bcc,-4.086457 +19,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,45.0,1.0,0.0015334173467913324,-0.0015334173467913324,E0,bcc,-4.086439 +20,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,47.0,1.0,0.0012887092609031852,-0.0012887092609031852,E0,bcc,-4.086449 +21,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,49.0,1.0,0.0009950595578287146,-0.0009950595578287146,E0,bcc,-4.086461 +22,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,51.0,1.0,0.0010440011750150377,-0.0010440011750150377,E0,bcc,-4.086459 +23,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,53.0,1.0,0.0006769390461610822,-0.0006769390461610822,E0,bcc,-4.086474 +24,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,55.0,1.0,0.0009216471320492297,-0.0009216471320492297,E0,bcc,-4.086464 +25,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,57.0,1.0,0.00038328934308661184,-0.00038328934308661184,E0,bcc,-4.086486 +26,Tetra,allKp,DMol3,Cr,PBE,-4.08650166312538,3.7971591756992897e-06,59.0,1.0,0.0006769390461610822,-0.0006769390461610822,E0,bcc,-4.086474 +0,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,7.0,1.0,0.1023765288029953,0.1023765288029953,v0,bcc,11.5878 +1,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,9.0,1.0,0.0721414265531545,0.0721414265531545,v0,bcc,11.5843 +2,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,11.0,1.0,0.03240386359620948,0.03240386359620948,v0,bcc,11.5797 +3,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,13.0,1.0,0.02290140288910525,0.02290140288910525,v0,bcc,11.5786 +4,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,15.0,1.0,0.02808456327479707,0.02808456327479707,v0,bcc,11.5792 +5,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,17.0,1.0,0.002168761346353326,0.002168761346353326,v0,bcc,11.5762 +6,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,19.0,1.0,0.005624201603470974,0.005624201603470974,v0,bcc,11.5766 +7,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,21.0,1.0,0.008215781796324555,0.008215781796324555,v0,bcc,11.5769 +8,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,23.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +9,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,25.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +10,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,27.0,1.0,0.0038964814749121507,0.0038964814749121507,v0,bcc,11.5764 +11,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,29.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +12,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,31.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +13,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,33.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +14,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,35.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +15,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,37.0,1.0,0.0013049012820739144,0.0013049012820739144,v0,bcc,11.5761 +16,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,39.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +17,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,41.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +18,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,43.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +19,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,45.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +20,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,47.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +21,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,49.0,1.0,0.0012866789107796668,-0.0012866789107796668,v0,bcc,11.5758 +22,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,51.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +23,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,53.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +24,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,55.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +25,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,57.0,1.0,0.00042281884648490966,-0.00042281884648490966,v0,bcc,11.5759 +26,Tetra,allKp,DMol3,Cr,PBE,11.575948945293801,2.98910705785617e-05,59.0,1.0,0.00044104121777915705,0.00044104121777915705,v0,bcc,11.576 +0,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,7.0,1.0,1.0940940013861191,1.0940940013861191,dB,bcc,3.387932 +1,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,9.0,1.0,1.2071258959987403,-1.2071258959987403,dB,bcc,3.3108120000000003 +2,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,11.0,1.0,0.5163421905307515,0.5163421905307515,dB,bcc,3.3685699999999996 +3,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,13.0,1.0,0.5298296144785009,-0.5298296144785009,dB,bcc,3.33351 +4,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,15.0,1.0,1.4654163450620687,-1.4654163450620687,dB,bcc,3.3021559999999996 +5,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,17.0,1.0,0.302035119692854,0.302035119692854,dB,bcc,3.361388 +6,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,19.0,1.0,0.15122644021432866,0.15122644021432866,dB,bcc,3.3563339999999995 +7,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,21.0,1.0,0.42446644723697663,-0.42446644723697663,dB,bcc,3.337041 +8,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,23.0,1.0,0.3077344583909949,0.3077344583909949,dB,bcc,3.361579 +9,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,25.0,1.0,0.11312143750479302,0.11312143750479302,dB,bcc,3.355057 +10,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,27.0,1.0,0.21039809215607613,-0.21039809215607613,dB,bcc,3.344215 +11,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,29.0,1.0,0.057918418700821324,0.057918418700821324,dB,bcc,3.353207 +12,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,31.0,1.0,0.03410652194106672,0.03410652194106672,dB,bcc,3.3524089999999998 +13,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,33.0,1.0,0.029242688392388763,0.029242688392388763,dB,bcc,3.352246 +14,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,35.0,1.0,0.016202840166795605,0.016202840166795605,dB,bcc,3.351809 +15,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,37.0,1.0,0.035538816482995686,0.035538816482995686,dB,bcc,3.352457 +16,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,39.0,1.0,0.07325590608744761,0.07325590608744761,dB,bcc,3.3537209999999997 +17,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,41.0,1.0,0.03556865595263687,0.03556865595263687,dB,bcc,3.3524580000000004 +18,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,43.0,1.0,0.019634379173531342,0.019634379173531342,dB,bcc,3.351924 +19,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,45.0,1.0,0.04726572804514512,0.04726572804514512,dB,bcc,3.35285 +20,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,47.0,1.0,0.0005669417617464068,-0.0005669417617464068,dB,bcc,3.3512470000000003 +21,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,49.0,1.0,0.05905231854652392,0.05905231854652392,dB,bcc,3.353245 +22,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,51.0,1.0,0.012830980099315737,0.012830980099315737,dB,bcc,3.351696 +23,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,53.0,1.0,0.03389762933148787,-0.03389762933148787,dB,bcc,3.3501300000000005 +24,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,55.0,1.0,0.08859339347406066,0.08859339347406066,dB,bcc,3.3542349999999996 +25,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,57.0,1.0,0.04264061025346416,0.04264061025346416,dB,bcc,3.3526949999999998 +26,Tetra,allKp,DMol3,Cr,PBE,3.3512659997265,0.0007454573611445518,59.0,1.0,0.03389762933148787,-0.03389762933148787,dB,bcc,3.3501300000000005 +0,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,7.0,1.0,0.3955249219458972,0.3955249219458972,B,fcc,240.03619799999998 +1,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,9.0,1.0,0.7210296513035402,0.7210296513035402,B,fcc,240.81444900000002 +2,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,11.0,1.0,0.432856805397724,0.432856805397724,B,fcc,240.125455 +3,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,13.0,1.0,0.029476426822081004,-0.029476426822081004,B,fcc,239.02006 +4,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,15.0,1.0,0.35643709001456797,-0.35643709001456797,B,fcc,238.23832799999997 +5,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,17.0,1.0,0.1795113523367507,0.1795113523367507,B,fcc,239.51972999999998 +6,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,19.0,1.0,0.01136584234528328,0.01136584234528328,B,fcc,239.11771000000002 +7,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,21.0,1.0,0.09370536269247608,0.09370536269247608,B,fcc,239.314576 +8,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,23.0,1.0,0.004589748102780869,0.004589748102780869,B,fcc,239.101509 +9,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,25.0,1.0,0.14371557878346694,-0.14371557878346694,B,fcc,238.746925 +10,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,27.0,1.0,0.003129503507586889,-0.003129503507586889,B,fcc,239.08305299999998 +11,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,29.0,1.0,0.06585482486025246,0.06585482486025246,B,fcc,239.247988 +12,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,31.0,1.0,0.022312195090710456,-0.022312195090710456,B,fcc,239.037189 +13,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,33.0,1.0,0.036055106307316835,-0.036055106307316835,B,fcc,239.004331 +14,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,35.0,1.0,0.014205770739009891,0.014205770739009891,B,fcc,239.1245 +15,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,37.0,1.0,0.007313274306170378,-0.007313274306170378,B,fcc,239.07305 +16,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,39.0,1.0,0.0043881508294692,0.0043881508294692,B,fcc,239.101027 +17,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,41.0,1.0,0.0014552423352746481,-0.0014552423352746481,B,fcc,239.08705600000002 +18,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,43.0,1.0,0.0025585900676040572,-0.0025585900676040572,B,fcc,239.08441800000003 +19,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,45.0,1.0,0.009259109014043936,0.009259109014043936,B,fcc,239.112673 +20,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,47.0,1.0,0.006685188640706784,0.006685188640706784,B,fcc,239.106519 +21,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,49.0,1.0,0.005438798859673232,0.005438798859673232,B,fcc,239.103539 +22,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,51.0,1.0,0.0054378341121379,-0.0054378341121379,B,fcc,239.07753399999999 +23,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,53.0,1.0,0.0018546726174443274,-0.0018546726174443274,B,fcc,239.08610099999999 +24,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,55.0,1.0,0.00946405230018217,0.00946405230018217,B,fcc,239.113163 +25,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,57.0,1.0,0.00029806839027915195,0.00029806839027915195,B,fcc,239.091248 +26,Tetra,allKp,DMol3,Cr,PBE,239.09053534669,0.00660900626081746,59.0,1.0,0.0028337996232903444,-0.0028337996232903444,B,fcc,239.08376 +0,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,7.0,1.0,0.1442783099862485,-0.1442783099862485,E0,fcc,-3.649075 +1,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,9.0,1.0,0.3056789070479086,0.3056789070479086,E0,fcc,-3.665518 +2,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,11.0,1.0,0.0978989916468082,0.0978989916468082,E0,fcc,-3.657925 +3,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,13.0,1.0,0.020703266459596355,0.020703266459596355,E0,fcc,-3.655104 +4,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,15.0,1.0,0.014163111082158703,0.014163111082158703,E0,fcc,-3.654865 +5,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,17.0,1.0,0.01709113043523235,0.01709113043523235,E0,fcc,-3.6549720000000003 +6,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,19.0,1.0,0.00825234304230138,0.00825234304230138,E0,fcc,-3.6546489999999996 +7,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,21.0,1.0,0.007978696373787664,0.007978696373787664,E0,fcc,-3.654639 +8,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,23.0,1.0,0.00045341298971522843,0.00045341298971522843,E0,fcc,-3.6543639999999997 +9,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,25.0,1.0,0.0029124410329900807,-0.0029124410329900807,E0,fcc,-3.6542410000000003 +10,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,27.0,1.0,0.0009148203528533392,-0.0009148203528533392,E0,fcc,-3.654314 +11,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,29.0,1.0,0.00039868365600519433,0.00039868365600519433,E0,fcc,-3.6543620000000003 +12,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,31.0,1.0,0.00195467769319816,-0.00195467769319816,E0,fcc,-3.6542760000000003 +13,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,33.0,1.0,0.0020094070268960413,-0.0020094070268960413,E0,fcc,-3.6542739999999996 +14,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,35.0,1.0,0.0002033390147201146,-0.0002033390147201146,E0,fcc,-3.6543400000000004 +15,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,37.0,1.0,0.0012431963550649347,-0.0012431963550649347,E0,fcc,-3.6543019999999995 +16,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,39.0,1.0,0.0005317150169317098,-0.0005317150169317098,E0,fcc,-3.654328 +17,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,41.0,1.0,0.0006411736843396257,-0.0006411736843396257,E0,fcc,-3.654324 +18,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,43.0,1.0,0.0005864443506295918,-0.0005864443506295918,E0,fcc,-3.654326 +19,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,45.0,1.0,0.00012124501416721578,-0.00012124501416721578,E0,fcc,-3.654343 +20,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,47.0,1.0,0.0002854330152730134,-0.0002854330152730134,E0,fcc,-3.6543370000000004 +21,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,49.0,1.0,0.00014860968101008048,-0.00014860968101008048,E0,fcc,-3.6543419999999998 +22,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,51.0,1.0,0.0003401623489708952,-0.0003401623489708952,E0,fcc,-3.6543349999999997 +23,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,53.0,1.0,0.0003948916826809294,-0.0003948916826809294,E0,fcc,-3.6543330000000003 +24,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,55.0,1.0,7.030765379359896e-05,7.030765379359896e-05,E0,fcc,-3.65435 +25,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,57.0,1.0,0.00012124501416721578,-0.00012124501416721578,E0,fcc,-3.654343 +26,Tetra,allKp,DMol3,Cr,PBE,-3.65434743071406,3.3401916446835e-06,59.0,1.0,0.00017597434784079284,-0.00017597434784079284,E0,fcc,-3.6543410000000014 +0,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,7.0,1.0,0.03619523562621375,-0.03619523562621375,v0,fcc,11.8045 +1,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,9.0,1.0,0.3088738339076293,-0.3088738339076293,v0,fcc,11.7723 +2,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,11.0,1.0,0.0023221178272852853,-0.0023221178272852853,v0,fcc,11.8085 +3,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,13.0,1.0,0.038735719461142785,-0.038735719461142785,v0,fcc,11.8042 +4,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,15.0,1.0,0.0154612690171578,0.0154612690171578,v0,fcc,11.8106 +5,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,17.0,1.0,0.03026744001141443,-0.03026744001141443,v0,fcc,11.8052 +6,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,19.0,1.0,0.009096741387070978,-0.009096741387070978,v0,fcc,11.8077 +7,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,21.0,1.0,0.01417770905691401,-0.01417770905691401,v0,fcc,11.8071 +8,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,23.0,1.0,0.0069929895674144035,0.0069929895674144035,v0,fcc,11.8096 +9,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,25.0,1.0,0.004015773717242991,-0.004015773717242991,v0,fcc,11.8083 +10,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,27.0,1.0,0.010790397277028685,-0.010790397277028685,v0,fcc,11.8075 +11,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,29.0,1.0,0.0019120218975864141,0.0019120218975864141,v0,fcc,11.809 +12,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,31.0,1.0,0.00106519395260004,0.00106519395260004,v0,fcc,11.8089 +13,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,33.0,1.0,0.001475289882313954,-0.001475289882313954,v0,fcc,11.8086 +14,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,35.0,1.0,0.00106519395260004,0.00106519395260004,v0,fcc,11.8089 +15,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,37.0,1.0,0.0006284619373426228,-0.0006284619373426228,v0,fcc,11.8087 +16,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,39.0,1.0,0.00021836600762870865,0.00021836600762870865,v0,fcc,11.8088 +17,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,41.0,1.0,0.00021836600762870865,0.00021836600762870865,v0,fcc,11.8088 +18,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,43.0,1.0,0.0006284619373426228,-0.0006284619373426228,v0,fcc,11.8087 +19,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,45.0,1.0,0.0006284619373426228,-0.0006284619373426228,v0,fcc,11.8087 +20,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,47.0,1.0,0.0006284619373426228,-0.0006284619373426228,v0,fcc,11.8087 +21,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,49.0,1.0,0.00106519395260004,0.00106519395260004,v0,fcc,11.8089 +22,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,51.0,1.0,0.001475289882313954,-0.001475289882313954,v0,fcc,11.8086 +23,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,53.0,1.0,0.0006284619373426228,-0.0006284619373426228,v0,fcc,11.8087 +24,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,55.0,1.0,0.00021836600762870865,0.00021836600762870865,v0,fcc,11.8088 +25,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,57.0,1.0,0.0006284619373426228,-0.0006284619373426228,v0,fcc,11.8087 +26,Tetra,allKp,DMol3,Cr,PBE,11.8087742136512,3.68785891199295e-05,59.0,1.0,0.00021836600762870865,0.00021836600762870865,v0,fcc,11.8088 +0,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,7.0,1.0,2.5611384772377823,2.5611384772377823,dB,fcc,4.342075 +1,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,9.0,1.0,5.858674862089084,5.858674862089084,dB,fcc,4.481681 +2,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,11.0,1.0,0.22839709529204325,0.22839709529204325,dB,fcc,4.243315 +3,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,13.0,1.0,0.19133683579150976,0.19133683579150976,dB,fcc,4.241746 +4,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,15.0,1.0,1.6223483303962491,-1.6223483303962491,dB,fcc,4.164961 +5,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,17.0,1.0,1.4314028802644876,1.4314028802644876,dB,fcc,4.294246 +6,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,19.0,1.0,0.05334701042367094,0.05334701042367094,dB,fcc,4.235904 +7,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,21.0,1.0,0.11964920826817504,0.11964920826817504,dB,fcc,4.238711 +8,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,23.0,1.0,0.3138778808795863,-0.3138778808795863,dB,fcc,4.220357 +9,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,25.0,1.0,0.03671831527493295,0.03671831527493295,dB,fcc,4.2352 +10,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,27.0,1.0,0.571127729678775,0.571127729678775,dB,fcc,4.257825 +11,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,29.0,1.0,0.10401146554353527,-0.10401146554353527,dB,fcc,4.229242 +12,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,31.0,1.0,0.09151632387636424,-0.09151632387636424,dB,fcc,4.2297709999999995 +13,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,33.0,1.0,0.04087438865066122,-0.04087438865066122,dB,fcc,4.231915 +14,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,35.0,1.0,0.006388742461512916,-0.006388742461512916,dB,fcc,4.233375 +15,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,37.0,1.0,0.07956554964968536,0.07956554964968536,dB,fcc,4.237014 +16,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,39.0,1.0,0.04947217989232548,-0.04947217989232548,dB,fcc,4.2315510000000005 +17,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,41.0,1.0,0.05651103096382901,-0.05651103096382901,dB,fcc,4.231253 +18,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,43.0,1.0,0.04066290631164336,0.04066290631164336,dB,fcc,4.235367 +19,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,45.0,1.0,0.00690948959632984,0.00690948959632984,dB,fcc,4.233937999999998 +20,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,47.0,1.0,0.01791655201017707,0.01791655201017707,dB,fcc,4.2344040000000005 +21,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,49.0,1.0,0.10793243627463338,-0.10793243627463338,dB,fcc,4.229076 +22,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,51.0,1.0,0.09602890265915814,0.09602890265915814,dB,fcc,4.237711 +23,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,53.0,1.0,0.010167991358937156,-0.010167991358937156,dB,fcc,4.233215 +24,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,55.0,1.0,0.06506158159424769,-0.06506158159424769,dB,fcc,4.2308910000000015 +25,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,57.0,1.0,0.04675694515875936,0.04675694515875936,dB,fcc,4.235625 +26,Tetra,allKp,DMol3,Cr,PBE,4.23364547670624,0.0010780736640538802,59.0,1.0,0.00903421668971408,-0.00903421668971408,dB,fcc,4.233263 +0,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,7.0,1.0,0.9513091095348596,0.9513091095348596,B,bcc,128.325032 +1,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,9.0,1.0,0.3480810353538804,0.3480810353538804,B,bcc,127.55823400000001 +2,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,11.0,1.0,0.2042861287849521,0.2042861287849521,B,bcc,127.37544799999999 +3,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,13.0,1.0,0.09716645196142157,0.09716645196142157,B,bcc,127.239282 +4,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,15.0,1.0,0.014234175690271947,0.014234175690271947,B,bcc,127.13386200000001 +5,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,17.0,1.0,0.030607439454563463,0.030607439454563463,B,bcc,127.154675 +6,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,19.0,1.0,0.03981951453648083,0.03981951453648083,B,bcc,127.166385 +7,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,21.0,1.0,0.02110429112070666,0.02110429112070666,B,bcc,127.142595 +8,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,23.0,1.0,0.0007055629504266277,0.0007055629504266277,B,bcc,127.116665 +9,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,25.0,1.0,0.008921094844392949,-0.008921094844392949,B,bcc,127.104428 +10,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,27.0,1.0,0.002837477849833009,0.002837477849833009,B,bcc,127.119375 +11,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,29.0,1.0,0.010865592812334757,0.010865592812334757,B,bcc,127.12958 +12,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,31.0,1.0,0.0011256524545903547,0.0011256524545903547,B,bcc,127.117199 +13,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,33.0,1.0,0.0008872870617772845,0.0008872870617772845,B,bcc,127.116896 +14,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,35.0,1.0,0.013099776692142923,0.013099776692142923,B,bcc,127.13242 +15,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,37.0,1.0,0.017920579091971076,0.017920579091971076,B,bcc,127.138548 +16,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,39.0,1.0,0.009938878512882618,0.009938878512882618,B,bcc,127.12840200000001 +17,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,41.0,1.0,0.007690534312711641,0.007690534312711641,B,bcc,127.12554399999999 +18,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,43.0,1.0,0.010101722197082864,0.010101722197082864,B,bcc,127.12860900000001 +19,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,45.0,1.0,0.010101722197082864,0.010101722197082864,B,bcc,127.12860900000001 +20,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,47.0,1.0,0.0036847370183362774,0.0036847370183362774,B,bcc,127.120452 +21,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,49.0,1.0,0.0018440813997440888,-0.0018440813997440888,B,bcc,127.113424 +22,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,51.0,1.0,0.0018440813997440888,-0.0018440813997440888,B,bcc,127.113424 +23,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,53.0,1.0,0.0073286594589469815,0.0073286594589469815,B,bcc,127.12508400000002 +24,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,55.0,1.0,0.0073286594589469815,0.0073286594589469815,B,bcc,127.12508400000002 +25,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,57.0,1.0,0.0007417504358019758,0.0007417504358019758,B,bcc,127.11671100000001 +26,Tetra,allKp,DMol3,Cu,PBE,127.115768118236,0.00219974172362679,59.0,1.0,0.0008227789356763198,0.0008227789356763198,B,bcc,127.11681399999999 +0,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,7.0,1.0,0.5463345547380049,0.5463345547380049,E0,bcc,-3.620195 +1,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,9.0,1.0,0.22232616874897146,0.22232616874897146,E0,bcc,-3.608529 +2,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,11.0,1.0,0.10353790654469153,0.10353790654469153,E0,bcc,-3.604252 +3,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,13.0,1.0,0.043935472434251735,0.043935472434251735,E0,bcc,-3.6021059999999996 +4,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,15.0,1.0,0.025077106748797092,0.025077106748797092,E0,bcc,-3.6014269999999997 +5,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,17.0,1.0,0.017578198449719692,0.017578198449719692,E0,bcc,-3.601157 +6,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,19.0,1.0,0.012106772764837063,0.012106772764837063,E0,bcc,-3.6009599999999997 +7,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,21.0,1.0,0.006829763221031807,0.006829763221031807,E0,bcc,-3.60077 +8,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,23.0,1.0,0.003746878698078451,0.003746878698078451,E0,bcc,-3.600659 +9,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,25.0,1.0,0.003080309071499275,0.003080309071499275,E0,bcc,-3.600635 +10,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,27.0,1.0,0.00263592932044238,0.00263592932044238,E0,bcc,-3.600619 +11,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,29.0,1.0,0.0020249071627406897,0.0020249071627406897,E0,bcc,-3.600597 +12,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,31.0,1.0,0.0011083739261819896,0.0011083739261819896,E0,bcc,-3.600564 +13,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,33.0,1.0,0.0008861840506597088,0.0008861840506597088,E0,bcc,-3.6005559999999996 +14,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,35.0,1.0,0.0010806001917494134,0.0010806001917494134,E0,bcc,-3.6005629999999997 +15,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,37.0,1.0,0.0010250527228595923,0.0010250527228595923,E0,bcc,-3.600561 +16,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,39.0,1.0,0.0006639941751374282,0.0006639941751374282,E0,bcc,-3.6005480000000003 +17,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,41.0,1.0,0.0004140305651579032,0.0004140305651579032,E0,bcc,-3.600539 +18,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,43.0,1.0,0.00046957803404772385,0.00046957803404772385,E0,bcc,-3.600541 +19,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,45.0,1.0,0.00046957803404772385,0.00046957803404772385,E0,bcc,-3.600541 +20,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,47.0,1.0,0.00033070936183550616,0.00033070936183550616,E0,bcc,-3.600536 +21,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,49.0,1.0,0.0002473881585131092,0.0002473881585131092,E0,bcc,-3.600533 +22,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,51.0,1.0,0.0002473881585131092,0.0002473881585131092,E0,bcc,-3.600533 +23,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,53.0,1.0,0.0003584830962804165,0.0003584830962804165,E0,bcc,-3.600537 +24,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,55.0,1.0,0.0003584830962804165,0.0003584830962804165,E0,bcc,-3.600537 +25,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,57.0,1.0,0.00016406695520304623,0.00016406695520304623,E0,bcc,-3.6005300000000005 +26,Tetra,allKp,DMol3,Cu,PBE,-3.60052409272975,1.49016479840448e-06,59.0,1.0,0.00021961442406819883,0.00021961442406819883,E0,bcc,-3.600532 +0,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,7.0,1.0,0.0900527320163777,-0.0900527320163777,v0,bcc,12.1734 +1,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,9.0,1.0,0.06132741160976676,-0.06132741160976676,v0,bcc,12.1769 +2,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,11.0,1.0,0.03506426152371748,-0.03506426152371748,v0,bcc,12.1801 +3,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,13.0,1.0,0.0038767707965303116,-0.0038767707965303116,v0,bcc,12.1839 +4,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,15.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +5,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,17.0,1.0,0.0010475698446075737,0.0010475698446075737,v0,bcc,12.1845 +6,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,19.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +7,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,21.0,1.0,0.0005938770357668617,-0.0005938770357668617,v0,bcc,12.1843 +8,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,23.0,1.0,0.0010475698446075737,0.0010475698446075737,v0,bcc,12.1845 +9,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,25.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +10,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,27.0,1.0,0.0005938770357668617,-0.0005938770357668617,v0,bcc,12.1843 +11,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,29.0,1.0,0.0014146004759540795,-0.0014146004759540795,v0,bcc,12.1842 +12,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,31.0,1.0,0.0014146004759540795,-0.0014146004759540795,v0,bcc,12.1842 +13,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,33.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +14,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,35.0,1.0,0.0005938770357668617,-0.0005938770357668617,v0,bcc,12.1843 +15,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,37.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +16,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,39.0,1.0,0.0022353239161412974,-0.0022353239161412974,v0,bcc,12.1841 +17,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,41.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +18,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,43.0,1.0,0.0010475698446075737,0.0010475698446075737,v0,bcc,12.1845 +19,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,45.0,1.0,0.0010475698446075737,0.0010475698446075737,v0,bcc,12.1845 +20,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,47.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +21,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,49.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +22,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,51.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +23,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,53.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +24,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,55.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +25,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,57.0,1.0,0.0005938770357668617,-0.0005938770357668617,v0,bcc,12.1843 +26,Tetra,allKp,DMol3,Cu,PBE,12.1843723601894,2.6319688244178e-05,59.0,1.0,0.00022684640442035596,0.00022684640442035596,v0,bcc,12.1844 +0,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,7.0,1.0,0.22242570617006727,0.22242570617006727,dB,bcc,4.644632 +1,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,9.0,1.0,0.13846524204230645,0.13846524204230645,dB,bcc,4.640741 +2,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,11.0,1.0,0.2457979152919077,-0.2457979152919077,dB,bcc,4.622933 +3,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,13.0,1.0,0.7693478359118686,-0.7693478359118686,dB,bcc,4.598669999999999 +4,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,15.0,1.0,0.13697945715867493,-0.13697945715867493,dB,bcc,4.627976 +5,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,17.0,1.0,0.09233432729994097,-0.09233432729994097,dB,bcc,4.630045 +6,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,19.0,1.0,0.17143971447352416,-0.17143971447352416,dB,bcc,4.626379 +7,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,21.0,1.0,0.1330738174755373,-0.1330738174755373,dB,bcc,4.628157 +8,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,23.0,1.0,0.1423524089880192,-0.1423524089880192,dB,bcc,4.627726999999998 +9,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,25.0,1.0,0.0664190054244703,-0.0664190054244703,dB,bcc,4.631246 +10,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,27.0,1.0,0.022140703602268826,-0.022140703602268826,dB,bcc,4.633298 +11,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,29.0,1.0,0.10325285591690983,-0.10325285591690983,dB,bcc,4.629539 +12,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,31.0,1.0,0.07123092613906823,-0.07123092613906823,dB,bcc,4.631023 +13,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,33.0,1.0,0.1246799288747354,-0.1246799288747354,dB,bcc,4.628546 +14,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,35.0,1.0,0.08372465750114495,-0.08372465750114495,dB,bcc,4.630444000000002 +15,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,37.0,1.0,0.122263179457508,-0.122263179457508,dB,bcc,4.6286580000000015 +16,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,39.0,1.0,0.021727613943801325,0.021727613943801325,dB,bcc,4.635331 +17,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,41.0,1.0,0.10390019951081547,-0.10390019951081547,dB,bcc,4.629509 +18,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,43.0,1.0,0.11986800816013747,-0.11986800816013747,dB,bcc,4.628769 +19,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,45.0,1.0,0.11986800816013747,-0.11986800816013747,dB,bcc,4.628769 +20,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,47.0,1.0,0.10450438686510316,-0.10450438686510316,dB,bcc,4.629481 +21,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,49.0,1.0,0.06890048920105761,-0.06890048920105761,dB,bcc,4.631131 +22,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,51.0,1.0,0.06890048920105761,-0.06890048920105761,dB,bcc,4.631131 +23,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,53.0,1.0,0.019227657429750786,-0.019227657429750786,dB,bcc,4.633433 +24,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,55.0,1.0,0.019227657429750786,-0.019227657429750786,dB,bcc,4.633433 +25,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,57.0,1.0,0.010963237547726195,-0.010963237547726195,dB,bcc,4.633816 +26,Tetra,allKp,DMol3,Cu,PBE,4.6343240719567405,0.000574857268045446,59.0,1.0,0.03377131017252243,-0.03377131017252243,dB,bcc,4.632759 +0,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,7.0,1.0,0.35989872896650804,0.35989872896650804,B,fcc,129.439025 +1,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,9.0,1.0,0.13476878415395674,0.13476878415395674,B,fcc,129.148664 +2,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,11.0,1.0,0.013771807823572195,-0.013771807823572195,B,fcc,128.957084 +3,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,13.0,1.0,0.01812536990706086,-0.01812536990706086,B,fcc,128.951469 +4,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,15.0,1.0,0.11428598082067068,-0.11428598082067068,B,fcc,128.827446 +5,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,17.0,1.0,0.10440239786728876,0.10440239786728876,B,fcc,129.109499 +6,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,19.0,1.0,0.12769789834874815,-0.12769789834874815,B,fcc,128.810148 +7,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,21.0,1.0,0.21221205226218487,-0.21221205226218487,B,fcc,128.701146 +8,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,23.0,1.0,0.07312679236086732,-0.07312679236086732,B,fcc,128.88053100000002 +9,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,25.0,1.0,0.015763669086718838,-0.015763669086718838,B,fcc,128.954515 +10,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,27.0,1.0,0.041732298625828564,-0.041732298625828564,B,fcc,128.921022 +11,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,29.0,1.0,0.01930234359232315,-0.01930234359232315,B,fcc,128.949951 +12,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,31.0,1.0,0.024663593708467112,0.024663593708467112,B,fcc,129.006656 +13,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,33.0,1.0,0.030287946220251487,0.030287946220251487,B,fcc,129.01391 +14,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,35.0,1.0,0.05497364025748164,-0.05497364025748164,B,fcc,128.903944 +15,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,37.0,1.0,0.022340145238464764,-0.022340145238464764,B,fcc,128.946033 +16,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,39.0,1.0,0.017367597411833743,0.017367597411833743,B,fcc,128.997246 +17,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,41.0,1.0,0.011876604237261914,0.011876604237261914,B,fcc,128.990164 +18,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,43.0,1.0,0.009372500386050454,-0.009372500386050454,B,fcc,128.962758 +19,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,45.0,1.0,0.023294594913393585,-0.023294594913393585,B,fcc,128.944802 +20,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,47.0,1.0,0.003221688630361761,-0.003221688630361761,B,fcc,128.970691 +21,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,49.0,1.0,0.014378642499674212,0.014378642499674212,B,fcc,128.993391 +22,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,51.0,1.0,0.011449389151241192,0.011449389151241192,B,fcc,128.989613 +23,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,53.0,1.0,0.0070937614789533705,-0.0070937614789533705,B,fcc,128.965697 +24,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,55.0,1.0,0.007592823202306502,0.007592823202306502,B,fcc,128.984639 +25,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,57.0,1.0,0.008820194311514368,0.008820194311514368,B,fcc,128.986222 +26,Tetra,allKp,DMol3,Cu,PBE,128.974846167955,0.007064933208766571,59.0,1.0,0.011828793294429676,-0.011828793294429676,B,fcc,128.95959 +0,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,7.0,1.0,0.27775467450845176,0.27775467450845176,E0,fcc,-3.6513089999999995 +1,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,9.0,1.0,0.07246495068832573,0.07246495068832573,E0,fcc,-3.6438339999999996 +2,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,11.0,1.0,0.009051710246766431,0.009051710246766431,E0,fcc,-3.641525 +3,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,13.0,1.0,0.018411797956604446,-0.018411797956604446,E0,fcc,-3.640525 +4,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,15.0,1.0,0.02670577743400817,-0.02670577743400817,E0,fcc,-3.640223 +5,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,17.0,1.0,0.020718732645655602,-0.020718732645655602,E0,fcc,-3.6404410000000014 +6,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,19.0,1.0,0.018411797956604446,-0.018411797956604446,E0,fcc,-3.640525 +7,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,21.0,1.0,0.011216358807318012,-0.011216358807318012,E0,fcc,-3.6407870000000004 +8,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,23.0,1.0,0.005531412609220263,-0.005531412609220263,E0,fcc,-3.640994 +9,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,25.0,1.0,0.00220832811661246,-0.00220832811661246,E0,fcc,-3.641115 +10,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,27.0,1.0,0.000835152706447574,-0.000835152706447574,E0,fcc,-3.641165 +11,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,29.0,1.0,0.00045563217910790616,0.00045563217910790616,E0,fcc,-3.6412120000000003 +12,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,31.0,1.0,0.001609099523651776,0.001609099523651776,E0,fcc,-3.641254 +13,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,33.0,1.0,0.0019661251302965977,0.0019661251302965977,E0,fcc,-3.641267 +14,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,35.0,1.0,0.0010323658513859393,0.0010323658513859393,E0,fcc,-3.641233 +15,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,37.0,1.0,0.0013619279498235605,0.0013619279498235605,E0,fcc,-3.6412449999999996 +16,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,39.0,1.0,0.001718953556468382,0.001718953556468382,E0,fcc,-3.641258 +17,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,41.0,1.0,0.0015541725072495713,0.0015541725072495713,E0,fcc,-3.6412519999999997 +18,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,43.0,1.0,0.0011696833923975493,0.0011696833923975493,E0,fcc,-3.6412379999999995 +19,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,45.0,1.0,0.0009774388349715383,0.0009774388349715383,E0,fcc,-3.641231 +20,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,47.0,1.0,0.0010323658513859393,0.0010323658513859393,E0,fcc,-3.641233 +21,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,49.0,1.0,0.000949975326776534,0.000949975326776534,E0,fcc,-3.64123 +22,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,51.0,1.0,0.0006753402447411175,0.0006753402447411175,E0,fcc,-3.6412199999999997 +23,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,53.0,1.0,0.00045563217910790616,0.00045563217910790616,E0,fcc,-3.6412120000000003 +24,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,55.0,1.0,0.0004830956873151064,0.0004830956873151064,E0,fcc,-3.6412129999999996 +25,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,57.0,1.0,0.000318314638096296,0.000318314638096296,E0,fcc,-3.641207 +26,Tetra,allKp,DMol3,Cu,PBE,-3.64119540954201,5.26216698248611e-06,59.0,1.0,9.860657246308446e-05,9.860657246308446e-05,E0,fcc,-3.641199 +0,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,7.0,1.0,0.1980087088828626,-0.1980087088828626,v0,fcc,12.0811 +1,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,9.0,1.0,0.0013968612258839148,-0.0013968612258839148,v0,fcc,12.1049 +2,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,11.0,1.0,0.038571370236656466,-0.038571370236656466,v0,fcc,12.1004 +3,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,13.0,1.0,0.01874496543091404,-0.01874496543091404,v0,fcc,12.1028 +4,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,15.0,1.0,0.004701262026848322,-0.004701262026848322,v0,fcc,12.1045 +5,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,17.0,1.0,0.03774527003641903,-0.03774527003641903,v0,fcc,12.1005 +6,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,19.0,1.0,0.022049366231878444,-0.022049366231878444,v0,fcc,12.1024 +7,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,21.0,1.0,0.0126468421781818,0.0126468421781818,v0,fcc,12.1066 +8,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,23.0,1.0,0.018429543579858505,0.018429543579858505,v0,fcc,12.1073 +9,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,25.0,1.0,0.014299042578656666,0.014299042578656666,v0,fcc,12.1068 +10,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,27.0,1.0,0.010168541577454823,0.010168541577454823,v0,fcc,12.1063 +11,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,29.0,1.0,0.004385840175792792,0.004385840175792792,v0,fcc,12.1056 +12,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,31.0,1.0,0.0060380405762676575,0.0060380405762676575,v0,fcc,12.1058 +13,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,33.0,1.0,0.008516341176979959,0.008516341176979959,v0,fcc,12.1061 +14,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,35.0,1.0,0.009342441377217393,0.009342441377217393,v0,fcc,12.1062 +15,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,37.0,1.0,0.0035597399755406853,0.0035597399755406853,v0,fcc,12.1055 +16,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,39.0,1.0,0.0019075395750658183,0.0019075395750658183,v0,fcc,12.1053 +17,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,41.0,1.0,0.0060380405762676575,0.0060380405762676575,v0,fcc,12.1058 +18,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,43.0,1.0,0.0060380405762676575,0.0060380405762676575,v0,fcc,12.1058 +19,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,45.0,1.0,0.0035597399755406853,0.0035597399755406853,v0,fcc,12.1055 +20,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,47.0,1.0,0.0019075395750658183,0.0019075395750658183,v0,fcc,12.1053 +21,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,49.0,1.0,0.0027336397753032512,0.0027336397753032512,v0,fcc,12.1054 +22,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,51.0,1.0,0.0027336397753032512,0.0027336397753032512,v0,fcc,12.1054 +23,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,53.0,1.0,0.0019075395750658183,0.0019075395750658183,v0,fcc,12.1053 +24,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,55.0,1.0,0.001081439374828385,0.001081439374828385,v0,fcc,12.1052 +25,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,57.0,1.0,0.0002553391745909517,0.0002553391745909517,v0,fcc,12.1051 +26,Tetra,allKp,DMol3,Cu,PBE,12.1050690910165,5.6524593458378295e-05,59.0,1.0,0.0019075395750658183,0.0019075395750658183,v0,fcc,12.1053 +0,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,7.0,1.0,0.3578742571210084,-0.3578742571210084,dB,fcc,5.033132 +1,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,9.0,1.0,0.5044530273579692,-0.5044530273579692,dB,fcc,5.025728 +2,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,11.0,1.0,0.12660381760060865,0.12660381760060865,dB,fcc,5.057604 +3,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,13.0,1.0,0.12240680256950623,0.12240680256950623,dB,fcc,5.057392 +4,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,15.0,1.0,0.5168263028034236,-0.5168263028034236,dB,fcc,5.025103 +5,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,17.0,1.0,0.7358836977751781,0.7358836977751781,dB,fcc,5.08838 +6,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,19.0,1.0,0.7828229555050326,0.7828229555050326,dB,fcc,5.090751 +7,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,21.0,1.0,0.5743768815552832,-0.5743768815552832,dB,fcc,5.022196 +8,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,23.0,1.0,0.5982127593734029,-0.5982127593734029,dB,fcc,5.020992 +9,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,25.0,1.0,0.3442933499920852,-0.3442933499920852,dB,fcc,5.033818 +10,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,27.0,1.0,0.11040874821204172,-0.11040874821204172,dB,fcc,5.045632 +11,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,29.0,1.0,0.04842451402608061,0.04842451402608061,dB,fcc,5.053655 +12,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,31.0,1.0,0.059252678210386864,-0.059252678210386864,dB,fcc,5.048216 +13,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,33.0,1.0,0.1501220130817292,-0.1501220130817292,dB,fcc,5.0436260000000015 +14,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,35.0,1.0,0.3283763684590689,-0.3283763684590689,dB,fcc,5.034622 +15,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,37.0,1.0,0.02045008641345341,-0.02045008641345341,dB,fcc,5.050176 +16,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,39.0,1.0,0.07257714769559538,0.07257714769559538,dB,fcc,5.054875 +17,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,41.0,1.0,0.19029061448785525,-0.19029061448785525,dB,fcc,5.041597 +18,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,43.0,1.0,0.2092167766092207,-0.2092167766092207,dB,fcc,5.040641 +19,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,45.0,1.0,0.15358653020648178,-0.15358653020648178,dB,fcc,5.043451 +20,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,47.0,1.0,0.07419959494848505,-0.07419959494848505,dB,fcc,5.047461 +21,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,49.0,1.0,0.040366110570487564,-0.040366110570487564,dB,fcc,5.049169999999998 +22,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,51.0,1.0,0.11727839073936525,-0.11727839073936525,dB,fcc,5.045285 +23,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,53.0,1.0,0.1481026945290663,-0.1481026945290663,dB,fcc,5.043728 +24,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,55.0,1.0,0.04711696965348301,-0.04711696965348301,dB,fcc,5.0488290000000005 +25,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,57.0,1.0,0.012987453150322315,0.012987453150322315,dB,fcc,5.051865 +26,Tetra,allKp,DMol3,Cu,PBE,5.0512089766006385,0.00134753860095485,59.0,1.0,0.033555859765275316,-0.033555859765275316,dB,fcc,5.049514 +0,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,7.0,1.0,0.96801853239271,-0.96801853239271,B,bcc,172.552344 +1,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,9.0,1.0,1.6975579091234023,1.6975579091234023,B,bcc,177.196818 +2,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,11.0,1.0,0.18192831422594846,0.18192831422594846,B,bcc,174.55599999999995 +3,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,13.0,1.0,0.924302145321388,-0.924302145321388,B,bcc,172.628515 +4,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,15.0,1.0,0.3604829405825215,-0.3604829405825215,B,bcc,173.610908 +5,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,17.0,1.0,0.08397722962583065,0.08397722962583065,B,bcc,174.385331 +6,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,19.0,1.0,0.2225891283788818,0.2225891283788818,B,bcc,174.626847 +7,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,21.0,1.0,0.06402866190117325,-0.06402866190117325,B,bcc,174.127447 +8,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,23.0,1.0,0.07281601670085425,-0.07281601670085425,B,bcc,174.11213600000005 +9,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,25.0,1.0,0.04312874223016359,0.04312874223016359,B,bcc,174.314157 +10,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,27.0,1.0,0.07321040995090493,0.07321040995090493,B,bcc,174.366571 +11,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,29.0,1.0,0.007158611297027534,0.007158611297027534,B,bcc,174.251483 +12,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,31.0,1.0,0.013127890571273195,-0.013127890571273195,B,bcc,174.216136 +13,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,33.0,1.0,0.008252510993205387,0.008252510993205387,B,bcc,174.253389 +14,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,35.0,1.0,0.02537037685800421,0.02537037685800421,B,bcc,174.28321499999996 +15,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,37.0,1.0,0.0015673336036955887,-0.0015673336036955887,B,bcc,174.236279 +16,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,39.0,1.0,0.01055670975341457,-0.01055670975341457,B,bcc,174.22061599999995 +17,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,41.0,1.0,0.0007179256549194962,-0.0007179256549194962,B,bcc,174.237759 +18,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,43.0,1.0,0.0009516201038336225,0.0009516201038336225,B,bcc,174.240668 +19,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,45.0,1.0,0.008589404551261481,0.008589404551261481,B,bcc,174.253976 +20,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,47.0,1.0,0.0076958044321915955,0.0076958044321915955,B,bcc,174.252419 +21,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,49.0,1.0,0.002264077691403373,-0.002264077691403373,B,bcc,174.235065 +22,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,51.0,1.0,0.0003655361410477928,-0.0003655361410477928,B,bcc,174.238373 +23,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,53.0,1.0,0.001869898967363882,0.001869898967363882,B,bcc,174.242268 +24,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,55.0,1.0,0.001869898967363882,0.001869898967363882,B,bcc,174.242268 +25,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,57.0,1.0,0.005886795071032742,0.005886795071032742,B,bcc,174.249267 +26,Tetra,allKp,DMol3,Fe,PBE,174.239009906553,0.00353810967794518,59.0,1.0,0.002264077691403373,-0.002264077691403373,B,bcc,174.235065 +0,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,7.0,1.0,0.09421955766932348,-0.09421955766932348,E0,bcc,-5.213172 +1,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,9.0,1.0,0.017008913151766582,0.017008913151766582,E0,bcc,-5.2189760000000005 +2,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,11.0,1.0,0.010376594223046593,-0.010376594223046593,E0,bcc,-5.217547 +3,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,13.0,1.0,0.025995340556456262,-0.025995340556456262,E0,bcc,-5.216732 +4,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,15.0,1.0,0.011660589320387656,-0.011660589320387656,E0,bcc,-5.21748 +5,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,17.0,1.0,0.0009095258933276905,-0.0009095258933276905,E0,bcc,-5.218041 +6,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,19.0,1.0,0.0006236025811116872,0.0006236025811116872,E0,bcc,-5.218121 +7,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,21.0,1.0,0.002212685096584992,-0.002212685096584992,E0,bcc,-5.2179730000000015 +8,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,23.0,1.0,0.0013886285415910598,-0.0013886285415910598,E0,bcc,-5.218016 +9,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,25.0,1.0,0.0005661102633119128,0.0005661102633119128,E0,bcc,-5.218118 +10,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,27.0,1.0,0.000719423110760957,0.000719423110760957,E0,bcc,-5.218126 +11,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,29.0,1.0,0.00016212576203274913,-0.00016212576203274913,E0,bcc,-5.2180800000000005 +12,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,31.0,1.0,0.00033460271541505134,-0.00033460271541505134,E0,bcc,-5.218071 +13,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,33.0,1.0,8.812914600726152e-06,-8.812914600726152e-06,E0,bcc,-5.218088 +14,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,35.0,1.0,1.0351191332532003e-05,1.0351191332532003e-05,E0,bcc,-5.218089 +15,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,37.0,1.0,0.0002771103976322981,-0.0002771103976322981,E0,bcc,-5.218074 +16,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,39.0,1.0,0.0003920950332148259,-0.0003920950332148259,E0,bcc,-5.218068 +17,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,41.0,1.0,0.00014296165611651208,-0.00014296165611651208,E0,bcc,-5.218081 +18,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,43.0,1.0,8.546933835077993e-05,-8.546933835077993e-05,E0,bcc,-5.218083999999998 +19,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,45.0,1.0,4.714112646724247e-05,-4.714112646724247e-05,E0,bcc,-5.2180860000000004 +20,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,47.0,1.0,2.797702049994202e-05,-2.797702049994202e-05,E0,bcc,-5.2180870000000015 +21,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,49.0,1.0,8.546933835077993e-05,-8.546933835077993e-05,E0,bcc,-5.218083999999998 +22,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,51.0,1.0,6.630523241752178e-05,-6.630523241752178e-05,E0,bcc,-5.218084999999999 +23,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,53.0,1.0,2.797702049994202e-05,-2.797702049994202e-05,E0,bcc,-5.2180870000000015 +24,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,55.0,1.0,2.797702049994202e-05,-2.797702049994202e-05,E0,bcc,-5.2180870000000015 +25,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,57.0,1.0,2.9515297265790167e-05,2.9515297265790167e-05,E0,bcc,-5.21809 +26,Tetra,allKp,DMol3,Fe,PBE,-5.21808845986568,1.48687199049165e-06,59.0,1.0,8.546933835077993e-05,-8.546933835077993e-05,E0,bcc,-5.218083999999998 +0,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,7.0,1.0,0.2561638502507539,0.2561638502507539,v0,bcc,11.5516 +1,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,9.0,1.0,0.09967453731982663,-0.09967453731982663,v0,bcc,11.5106 +2,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,11.0,1.0,0.17110979663632098,0.17110979663632098,v0,bcc,11.5418 +3,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,13.0,1.0,0.0137525851991261,-0.0137525851991261,v0,bcc,11.5205 +4,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,15.0,1.0,0.0079448774576121,0.0079448774576121,v0,bcc,11.523 +5,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,17.0,1.0,0.016356280717929134,-0.016356280717929134,v0,bcc,11.5202 +6,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,19.0,1.0,0.028774441608082624,0.028774441608082624,v0,bcc,11.5254 +7,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,21.0,1.0,0.013152268495233587,0.013152268495233587,v0,bcc,11.5236 +8,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,23.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +9,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,25.0,1.0,0.0033378031238985467,-0.0033378031238985467,v0,bcc,11.5217 +10,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,27.0,1.0,0.004473283432541389,0.004473283432541389,v0,bcc,11.5226 +11,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,29.0,1.0,0.006209080445076743,0.006209080445076743,v0,bcc,11.5228 +12,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,31.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +13,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,33.0,1.0,0.0007341076050800963,-0.0007341076050800963,v0,bcc,11.522 +14,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,35.0,1.0,0.0018695879137229374,0.0018695879137229374,v0,bcc,11.5223 +15,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,37.0,1.0,0.0018695879137229374,0.0018695879137229374,v0,bcc,11.5223 +16,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,39.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +17,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,41.0,1.0,0.0007341076050800963,-0.0007341076050800963,v0,bcc,11.522 +18,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,43.0,1.0,0.0007341076050800963,-0.0007341076050800963,v0,bcc,11.522 +19,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,45.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +20,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,47.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +21,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,49.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +22,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,51.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +23,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,53.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +24,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,55.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +25,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,57.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +26,Tetra,allKp,DMol3,Fe,PBE,11.522084584499199,1.58711928352795e-05,59.0,1.0,0.00013379090118758176,0.00013379090118758176,v0,bcc,11.5221 +0,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,7.0,1.0,3.3164721565199464,-3.3164721565199464,dB,bcc,5.258329 +1,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,9.0,1.0,0.00501886673351115,0.00501886673351115,dB,bcc,5.438975 +2,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,11.0,1.0,3.3005860132115363,-3.3005860132115363,dB,bcc,5.259193 +3,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,13.0,1.0,3.4507674785034337,3.4507674785034337,dB,bcc,5.626379 +4,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,15.0,1.0,0.8139633036868401,-0.8139633036868401,dB,bcc,5.394433 +5,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,17.0,1.0,0.9740552218065668,0.9740552218065668,dB,bcc,5.491678 +6,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,19.0,1.0,1.2612575262142591,-1.2612575262142591,dB,bcc,5.370106 +7,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,21.0,1.0,0.4438014552089366,-0.4438014552089366,dB,bcc,5.4145650000000005 +8,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,23.0,1.0,0.023793154752915355,-0.023793154752915355,dB,bcc,5.4374080000000005 +9,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,25.0,1.0,0.07948516349167146,0.07948516349167146,dB,bcc,5.443025 +10,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,27.0,1.0,0.247008177628033,-0.247008177628033,dB,bcc,5.425268 +11,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,29.0,1.0,0.3477491257608809,-0.3477491257608809,dB,bcc,5.419789 +12,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,31.0,1.0,0.05422178281372684,0.05422178281372684,dB,bcc,5.441651 +13,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,33.0,1.0,0.07683747294027536,0.07683747294027536,dB,bcc,5.442881 +14,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,35.0,1.0,0.13354360545650673,-0.13354360545650673,dB,bcc,5.431439 +15,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,37.0,1.0,0.12287929629113455,-0.12287929629113455,dB,bcc,5.432019 +16,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,39.0,1.0,0.01820358581107007,-0.01820358581107007,dB,bcc,5.437712 +17,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,41.0,1.0,0.01474545216192816,0.01474545216192816,dB,bcc,5.439504 +18,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,43.0,1.0,0.050801849184828635,0.050801849184828635,dB,bcc,5.441465 +19,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,45.0,1.0,0.037822237327357164,-0.037822237327357164,dB,bcc,5.4366449999999995 +20,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,47.0,1.0,0.018074878631486387,-0.018074878631486387,dB,bcc,5.437719 +21,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,49.0,1.0,0.004430491055421312,0.004430491055421312,dB,bcc,5.438943 +22,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,51.0,1.0,0.009469884339436805,-0.009469884339436805,dB,bcc,5.438187 +23,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,53.0,1.0,0.012724337308865602,-0.012724337308865602,dB,bcc,5.43801 +24,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,55.0,1.0,0.012724337308865602,-0.012724337308865602,dB,bcc,5.43801 +25,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,57.0,1.0,0.02721308838181356,-0.02721308838181356,dB,bcc,5.437222 +26,Tetra,allKp,DMol3,Fe,PBE,5.43870203879264,0.000542178179988081,59.0,1.0,0.004430491055421312,0.004430491055421312,dB,bcc,5.438943 +0,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,7.0,1.0,58.08137334336073,58.08137334336073,B,fcc,78.041005 +1,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,9.0,1.0,17.368612274070244,-17.368612274070244,B,fcc,40.793146 +2,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,11.0,1.0,57.182590916642866,-57.182590916642866,B,fcc,21.137934 +3,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,13.0,1.0,4.758200676233689,4.758200676233689,B,fcc,51.716626 +4,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,15.0,1.0,5.2204186635306,5.2204186635306,B,fcc,51.944812 +5,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,17.0,1.0,7.869692938746168,-7.869692938746168,B,fcc,45.482535999999996 +6,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,19.0,1.0,33.199650248477944,-33.199650248477944,B,fcc,32.977740000000004 +7,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,21.0,1.0,33.858649979297425,33.858649979297425,B,fcc,66.082824 +8,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,23.0,1.0,7.426779104284845,-7.426779104284845,B,fcc,45.701192 +9,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,25.0,1.0,3.8127034150253687,-3.8127034150253687,B,fcc,47.485375 +10,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,27.0,1.0,6.676959624028728,-6.676959624028728,B,fcc,46.07136 +11,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,29.0,1.0,6.8716358272363856,-6.8716358272363856,B,fcc,45.975253 +12,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,31.0,1.0,5.924188816313902,-5.924188816313902,B,fcc,46.442985 +13,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,33.0,1.0,6.700102325618067,-6.700102325618067,B,fcc,46.059934999999996 +14,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,35.0,1.0,6.701585079015313,-6.701585079015313,B,fcc,46.059203000000004 +15,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,37.0,1.0,29.270374002000636,-29.270374002000636,B,fcc,34.91753 +16,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,39.0,1.0,6.003374329708293,-6.003374329708293,B,fcc,46.403893 +17,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,41.0,1.0,6.088456421161886,-6.088456421161886,B,fcc,46.36189 +18,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,43.0,1.0,6.260727248240039,-6.260727248240039,B,fcc,46.276844 +19,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,45.0,1.0,5.983446286099009,-5.983446286099009,B,fcc,46.413731 +20,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,47.0,1.0,6.670765279918418,-6.670765279918418,B,fcc,46.074418 +21,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,49.0,1.0,6.630984140617482,-6.630984140617482,B,fcc,46.094057 +22,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,51.0,1.0,4.40076300724466,-4.40076300724466,B,fcc,47.195064 +23,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,53.0,1.0,6.2185558780528405,-6.2185558780528405,B,fcc,46.297663 +24,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,55.0,1.0,10.421044539069722,10.421044539069722,B,fcc,54.512237 +25,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,57.0,1.0,4.248031304851943,-4.248031304851943,B,fcc,47.270464000000004 +26,Tetra,allKp,DMol3,Fe,PBE,49.367615772473705,1.70386351241699,59.0,1.0,5.458308509150604,-5.458308509150604,B,fcc,46.672979 +0,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,7.0,1.0,0.05716699954537824,0.05716699954537824,E0,fcc,-5.059609 +1,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,9.0,1.0,0.02399235750496356,-0.02399235750496356,E0,fcc,-5.055505 +2,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,11.0,1.0,0.14300235037264802,-0.14300235037264802,E0,fcc,-5.049487 +3,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,13.0,1.0,0.031399299195328835,0.031399299195328835,E0,fcc,-5.058306 +4,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,15.0,1.0,0.04841531217289748,-0.04841531217289748,E0,fcc,-5.05427 +5,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,17.0,1.0,0.004572647801369724,-0.004572647801369724,E0,fcc,-5.0564870000000015 +6,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,19.0,1.0,0.10313459603212337,-0.10313459603212337,E0,fcc,-5.051503 +7,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,21.0,1.0,0.02351774138186605,-0.02351774138186605,E0,fcc,-5.055529 +8,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,23.0,1.0,0.00041975672426650465,-0.00041975672426650465,E0,fcc,-5.056697 +9,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,25.0,1.0,0.0064621770607000955,0.0064621770607000955,E0,fcc,-5.057045 +10,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,27.0,1.0,0.0013402780655680682,0.0013402780655680682,E0,fcc,-5.056786 +11,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,29.0,1.0,0.0011820726912139408,0.0011820726912139408,E0,fcc,-5.0567779999999996 +12,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,31.0,1.0,0.002922331809249857,0.002922331809249857,E0,fcc,-5.056866 +13,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,33.0,1.0,0.0017753428450858293,0.0017753428450858293,E0,fcc,-5.056808 +14,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,35.0,1.0,0.0015578104553357313,0.0015578104553357313,E0,fcc,-5.056797 +15,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,37.0,1.0,0.09255461162133484,-0.09255461162133484,E0,fcc,-5.052038 +16,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,39.0,1.0,0.0027641264348781647,0.0027641264348781647,E0,fcc,-5.056858 +17,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,41.0,1.0,0.0023686129989577177,0.0023686129989577177,E0,fcc,-5.056838 +18,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,43.0,1.0,0.0023686129989577177,0.0023686129989577177,E0,fcc,-5.056838 +19,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,45.0,1.0,0.002605921060506473,0.002605921060506473,E0,fcc,-5.05685 +20,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,47.0,1.0,0.0018148941886655789,0.0018148941886655789,E0,fcc,-5.05681 +21,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,49.0,1.0,0.001913772547658864,0.001913772547658864,E0,fcc,-5.056815 +22,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,51.0,1.0,0.004801020629858807,0.004801020629858807,E0,fcc,-5.056961 +23,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,53.0,1.0,0.002427940014353689,0.002427940014353689,E0,fcc,-5.056841 +24,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,55.0,1.0,0.0320608315976915,-0.0320608315976915,E0,fcc,-5.055097 +25,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,57.0,1.0,0.005137207050383283,0.005137207050383283,E0,fcc,-5.056978 +26,Tetra,allKp,DMol3,Fe,PBE,-5.05671822591478,0.000348710432032918,59.0,1.0,0.003199191214395926,0.003199191214395926,E0,fcc,-5.0568800000000005 +0,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,7.0,1.0,2.231038519966593,-2.231038519966593,v0,fcc,10.7116 +1,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,9.0,1.0,1.0840298927400092,1.0840298927400092,v0,fcc,11.0748 +2,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,11.0,1.0,2.1090359025058416,2.1090359025058416,v0,fcc,11.1871 +3,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,13.0,1.0,0.05050480907560559,-0.05050480907560559,v0,fcc,10.9505 +4,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,15.0,1.0,0.5616387053078947,-0.5616387053078947,v0,fcc,10.8945 +5,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,17.0,1.0,0.1174391854007182,0.1174391854007182,v0,fcc,10.9689 +6,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,19.0,1.0,0.17037805322478386,0.17037805322478386,v0,fcc,10.9747 +7,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,21.0,1.0,1.20238155379911,-1.20238155379911,v0,fcc,10.8243 +8,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,23.0,1.0,0.15759970581897378,0.15759970581897378,v0,fcc,10.9733 +9,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,25.0,1.0,0.19410926983556245,0.19410926983556245,v0,fcc,10.9773 +10,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,27.0,1.0,0.11196275079822587,0.11196275079822587,v0,fcc,10.9683 +11,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,29.0,1.0,0.09553344699076506,0.09553344699076506,v0,fcc,10.9665 +12,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,31.0,1.0,0.13660670650941711,0.13660670650941711,v0,fcc,10.970999999999998 +13,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,33.0,1.0,0.09735892519159044,0.09735892519159044,v0,fcc,10.9667 +14,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,35.0,1.0,0.10192262069367007,0.10192262069367007,v0,fcc,10.9672 +15,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,37.0,1.0,0.25708826776418386,0.25708826776418386,v0,fcc,10.9842 +16,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,39.0,1.0,0.1448213584131637,0.1448213584131637,v0,fcc,10.9719 +17,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,41.0,1.0,0.13660670650941711,0.13660670650941711,v0,fcc,10.970999999999998 +18,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,43.0,1.0,0.131130271906941,0.131130271906941,v0,fcc,10.9704 +19,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,45.0,1.0,0.13295575010776636,0.13295575010776636,v0,fcc,10.9706 +20,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,47.0,1.0,0.09735892519159044,0.09735892519159044,v0,fcc,10.9667 +21,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,49.0,1.0,0.10374809889449547,0.10374809889449547,v0,fcc,10.9674 +22,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,51.0,1.0,0.18863283523307006,0.18863283523307006,v0,fcc,10.9767 +23,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,53.0,1.0,0.13478122830860795,0.13478122830860795,v0,fcc,10.9708 +24,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,55.0,1.0,0.7295826997842347,-0.7295826997842347,v0,fcc,10.8761 +25,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,57.0,1.0,0.19502200893597507,0.19502200893597507,v0,fcc,10.9774 +26,Tetra,allKp,DMol3,Fe,PBE,10.9560333237124,0.0172436457583693,59.0,1.0,0.17585448782727622,0.17585448782727622,v0,fcc,10.9753 +0,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,7.0,1.0,12.781929506279113,12.781929506279113,dB,fcc,20.482354 +1,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,9.0,1.0,0.9927338205776858,-0.9927338205776858,dB,fcc,17.980733999999995 +2,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,11.0,1.0,18.39661271147518,18.39661271147518,dB,fcc,21.502038 +3,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,13.0,1.0,0.7729940162169263,-0.7729940162169263,dB,fcc,18.020641 +4,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,15.0,1.0,2.5148050592379807,2.5148050592379807,dB,fcc,18.617739 +5,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,17.0,1.0,3.3326994401769845,3.3326994401769845,dB,fcc,18.766277 +6,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,19.0,1.0,19.19228918300994,19.19228918300994,dB,fcc,21.646541 +7,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,21.0,1.0,2.7406803511434354,-2.7406803511434354,dB,fcc,17.663289000000006 +8,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,23.0,1.0,1.9444297522865719,1.9444297522865719,dB,fcc,18.514153 +9,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,25.0,1.0,0.3994743422547293,-0.3994743422547293,dB,fcc,18.088476 +10,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,27.0,1.0,2.1109952441028352,2.1109952441028352,dB,fcc,18.544403 +11,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,29.0,1.0,2.393440761547976,2.393440761547976,dB,fcc,18.595698000000002 +12,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,31.0,1.0,1.41293991651555,1.41293991651555,dB,fcc,18.417629 +13,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,33.0,1.0,2.2353164234161462,2.2353164234161462,dB,fcc,18.566981 +14,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,35.0,1.0,2.30246021208417,2.30246021208417,dB,fcc,18.579175 +15,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,37.0,1.0,15.382917113131466,15.382917113131466,dB,fcc,20.954720000000002 +16,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,39.0,1.0,1.2854030596081485,1.2854030596081485,dB,fcc,18.394467000000002 +17,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,41.0,1.0,1.4416056999996856,1.4416056999996856,dB,fcc,18.422835 +18,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,43.0,1.0,1.587373907102231,1.587373907102231,dB,fcc,18.449308 +19,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,45.0,1.0,1.4275040727421162,1.4275040727421162,dB,fcc,18.420274 +20,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,47.0,1.0,2.2692021766934243,2.2692021766934243,dB,fcc,18.573135 +21,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,49.0,1.0,2.186376453457044,2.186376453457044,dB,fcc,18.558093 +22,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,51.0,1.0,0.029274965534347018,-0.029274965534347018,dB,fcc,18.155707999999997 +23,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,53.0,1.0,1.5365397708890958,1.5365397708890958,dB,fcc,18.440076 +24,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,55.0,1.0,2.802173206424728,2.802173206424728,dB,fcc,18.669928 +25,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,57.0,1.0,0.19160611476527406,-0.19160611476527406,dB,fcc,18.126227 +26,Tetra,allKp,DMol3,Fe,PBE,18.1610246337022,0.0692042942970365,59.0,1.0,0.547206825067448,0.547206825067448,dB,fcc,18.260403 +0,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,7.0,1.0,2.0609654871046943,2.0609654871046943,B,bcc,296.51361 +1,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,9.0,1.0,0.048421479605747816,0.048421479605747816,B,bcc,290.666647 +2,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,11.0,1.0,0.32577568650368194,0.32577568650368194,B,bcc,291.472433 +3,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,13.0,1.0,0.20556818836919166,0.20556818836919166,B,bcc,291.123199 +4,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,15.0,1.0,0.39194672564713495,-0.39194672564713495,B,bcc,289.38726299999996 +5,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,17.0,1.0,0.030048269580214382,-0.030048269580214382,B,bcc,290.438672 +6,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,19.0,1.0,0.044979464886410025,-0.044979464886410025,B,bcc,290.3952930000001 +7,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,21.0,1.0,0.11042937973657577,-0.11042937973657577,B,bcc,290.205144 +8,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,23.0,1.0,0.059615659594884685,0.059615659594884685,B,bcc,290.699169 +9,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,25.0,1.0,0.0534595834278087,0.0534595834278087,B,bcc,290.681284 +10,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,27.0,1.0,0.04971157196751385,-0.04971157196751385,B,bcc,290.381545 +11,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,29.0,1.0,0.05222664717785296,0.05222664717785296,B,bcc,290.677702 +12,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,31.0,1.0,0.04594596941319205,0.04594596941319205,B,bcc,290.659455 +13,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,33.0,1.0,0.02018925422356368,-0.02018925422356368,B,bcc,290.467315 +14,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,35.0,1.0,0.028728231530632656,0.028728231530632656,B,bcc,290.609433 +15,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,37.0,1.0,0.04682231103585715,0.04682231103585715,B,bcc,290.662001 +16,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,39.0,1.0,0.0019065329427778652,0.0019065329427778652,B,bcc,290.53150899999997 +17,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,41.0,1.0,0.00846773640359497,0.00846773640359497,B,bcc,290.550571 +18,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,43.0,1.0,0.021594962171570885,0.021594962171570885,B,bcc,290.588709 +19,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,45.0,1.0,0.0075242751358250435,0.0075242751358250435,B,bcc,290.54783 +20,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,47.0,1.0,0.0067277886806749974,0.0067277886806749974,B,bcc,290.545516 +21,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,49.0,1.0,0.0026685990671169624,0.0026685990671169624,B,bcc,290.533723 +22,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,51.0,1.0,0.00482365597972967,0.00482365597972967,B,bcc,290.539984 +23,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,53.0,1.0,0.006033530608035818,0.006033530608035818,B,bcc,290.543499 +24,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,55.0,1.0,0.0005479808479722693,-0.0005479808479722693,B,bcc,290.52437799999996 +25,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,57.0,1.0,0.0010573833814502855,0.0010573833814502855,B,bcc,290.529042 +26,Tetra,allKp,DMol3,Ir,PBE,290.52597002667414,0.0069272569407933604,59.0,1.0,0.006550179773644329,0.006550179773644329,B,bcc,290.545 +0,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,7.0,1.0,1.2228317519377754,1.2228317519377754,E0,bcc,-6.2176279999999995 +1,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,9.0,1.0,0.15473093826398324,-0.15473093826398324,E0,bcc,-6.133011 +2,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,11.0,1.0,0.15821903152634856,0.15821903152634856,E0,bcc,-6.152234 +3,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,13.0,1.0,0.13068959288953436,0.13068959288953436,E0,bcc,-6.150543 +4,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,15.0,1.0,0.006550600906042764,-0.006550600906042764,E0,bcc,-6.142113 +5,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,17.0,1.0,0.06688836875135462,0.06688836875135462,E0,bcc,-6.146624 +6,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,19.0,1.0,0.025048831615565682,0.025048831615565682,E0,bcc,-6.144054 +7,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,21.0,1.0,0.001589386863560182,0.001589386863560182,E0,bcc,-6.142613 +8,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,23.0,1.0,0.02762106775077415,0.02762106775077415,E0,bcc,-6.1442120000000005 +9,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,25.0,1.0,0.011552731893564254,0.011552731893564254,E0,bcc,-6.143225 +10,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,27.0,1.0,0.0006246898097644164,-0.0006246898097644164,E0,bcc,-6.1424769999999995 +11,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,29.0,1.0,0.01176437157554579,0.01176437157554579,E0,bcc,-6.1432379999999975 +12,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,31.0,1.0,0.005952420308072336,0.005952420308072336,E0,bcc,-6.142881 +13,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,33.0,1.0,0.0007916680621428236,0.0007916680621428236,E0,bcc,-6.142564 +14,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,35.0,1.0,0.005073301628947525,0.005073301628947525,E0,bcc,-6.142827 +15,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,37.0,1.0,0.0032336643930193703,0.0032336643930193703,E0,bcc,-6.142714 +16,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,39.0,1.0,0.0014428670837156865,0.0014428670837156865,E0,bcc,-6.142604 +17,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,41.0,1.0,0.002517345469295005,0.002517345469295005,E0,bcc,-6.14267 +18,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,43.0,1.0,0.0015405469369501699,0.0015405469369501699,E0,bcc,-6.1426099999999995 +19,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,45.0,1.0,0.0013451872304667436,0.0013451872304667436,E0,bcc,-6.1425980000000004 +20,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,47.0,1.0,0.001670786741253175,0.001670786741253175,E0,bcc,-6.142618 +21,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,49.0,1.0,0.0007265481599768618,0.0007265481599768618,E0,bcc,-6.14256 +22,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,51.0,1.0,0.0009870277686117909,0.0009870277686117909,E0,bcc,-6.142576 +23,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,53.0,1.0,0.001117267572900336,0.001117267572900336,E0,bcc,-6.142583999999999 +24,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,55.0,1.0,0.0006288683067568378,0.0006288683067568378,E0,bcc,-6.1425540000000005 +25,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,57.0,1.0,0.0006939882089083403,0.0006939882089083403,E0,bcc,-6.142558 +26,Tetra,allKp,DMol3,Ir,PBE,-6.14251537166759,1.10724049283602e-05,59.0,1.0,0.0008567879642943263,0.0008567879642943263,E0,bcc,-6.142568 +0,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,7.0,1.0,0.502468420739457,-0.502468420739457,v0,bcc,15.2031 +1,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,9.0,1.0,0.06494454029624852,0.06494454029624852,v0,bcc,15.2898 +2,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,11.0,1.0,0.03715052535722885,-0.03715052535722885,v0,bcc,15.2742 +3,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,13.0,1.0,0.053511914083756905,-0.053511914083756905,v0,bcc,15.2717 +4,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,15.0,1.0,0.029603940646967003,0.029603940646967003,v0,bcc,15.2844 +5,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,17.0,1.0,0.0037732923551367374,-0.0037732923551367374,v0,bcc,15.2793 +6,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,19.0,1.0,0.014244581140108181,-0.014244581140108181,v0,bcc,15.2777 +7,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,21.0,1.0,0.020441562960114082,0.020441562960114082,v0,bcc,15.283 +8,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,23.0,1.0,0.002464381257006589,-0.002464381257006589,v0,bcc,15.2795 +9,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,25.0,1.0,0.009663392296681722,-0.009663392296681722,v0,bcc,15.2784 +10,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,27.0,1.0,0.013897007469509837,0.013897007469509837,v0,bcc,15.282 +11,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,29.0,1.0,0.002464381257006589,-0.002464381257006589,v0,bcc,15.2795 +12,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,31.0,1.0,0.006391114551373787,-0.006391114551373787,v0,bcc,15.2789 +13,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,33.0,1.0,0.004080174233597657,0.004080174233597657,v0,bcc,15.2805 +14,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,35.0,1.0,0.00015344093923045876,0.00015344093923045876,v0,bcc,15.2799 +15,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,37.0,1.0,0.003118836806065851,-0.003118836806065851,v0,bcc,15.2794 +16,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,39.0,1.0,0.0021168075864198698,0.0021168075864198698,v0,bcc,15.2802 +17,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,41.0,1.0,0.0011554701588880653,-0.0011554701588880653,v0,bcc,15.2797 +18,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,43.0,1.0,0.0011554701588880653,-0.0011554701588880653,v0,bcc,15.2797 +19,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,45.0,1.0,0.0008078964882897207,0.0008078964882897207,v0,bcc,15.28 +20,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,47.0,1.0,0.0011554701588880653,-0.0011554701588880653,v0,bcc,15.2797 +21,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,49.0,1.0,0.0011554701588880653,-0.0011554701588880653,v0,bcc,15.2797 +22,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,51.0,1.0,0.0014623520373489827,0.0014623520373489827,v0,bcc,15.2801 +23,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,53.0,1.0,0.0005010146098288033,-0.0005010146098288033,v0,bcc,15.2798 +24,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,55.0,1.0,0.0005010146098288033,-0.0005010146098288033,v0,bcc,15.2798 +25,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,57.0,1.0,0.0008078964882897207,0.0008078964882897207,v0,bcc,15.28 +26,Tetra,allKp,DMol3,Ir,PBE,15.279876554413901,6.71227987688529e-05,59.0,1.0,0.0005010146098288033,-0.0005010146098288033,v0,bcc,15.2798 +0,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,7.0,1.0,0.08145996086370896,0.08145996086370896,dB,bcc,5.144438 +1,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,9.0,1.0,0.5124799355069231,-0.5124799355069231,dB,bcc,5.113908 +2,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,11.0,1.0,0.3833811751952211,-0.3833811751952211,dB,bcc,5.1205440000000015 +3,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,13.0,1.0,0.6593889651703437,0.6593889651703437,dB,bcc,5.174144999999998 +4,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,15.0,1.0,0.27450501791204324,0.27450501791204324,dB,bcc,5.154361 +5,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,17.0,1.0,0.01332140746637968,-0.01332140746637968,dB,bcc,5.139566 +6,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,19.0,1.0,0.07505949489885874,0.07505949489885874,dB,bcc,5.144108999999999 +7,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,21.0,1.0,0.06777400392696517,-0.06777400392696517,dB,bcc,5.136767 +8,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,23.0,1.0,0.15457910768080865,-0.15457910768080865,dB,bcc,5.1323050000000014 +9,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,25.0,1.0,0.06684019734242268,-0.06684019734242268,dB,bcc,5.136815 +10,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,27.0,1.0,0.2469286880303657,-0.2469286880303657,dB,bcc,5.1275580000000005 +11,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,29.0,1.0,0.06662620000013852,-0.06662620000013852,dB,bcc,5.136826 +12,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,31.0,1.0,0.01748462848910075,-0.01748462848910075,dB,bcc,5.139352 +13,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,33.0,1.0,0.053280547562855975,-0.053280547562855975,dB,bcc,5.137512 +14,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,35.0,1.0,0.06843545025766479,-0.06843545025766479,dB,bcc,5.136733 +15,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,37.0,1.0,0.06473913252722363,-0.06473913252722363,dB,bcc,5.136923 +16,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,39.0,1.0,0.043125400956092234,-0.043125400956092234,dB,bcc,5.138033999999998 +17,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,41.0,1.0,0.004625333647927978,-0.004625333647927978,dB,bcc,5.140013 +18,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,43.0,1.0,0.03507131916445843,-0.03507131916445843,dB,bcc,5.138448 +19,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,45.0,1.0,0.01911879001201991,-0.01911879001201991,dB,bcc,5.139268 +20,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,47.0,1.0,0.0015805892784506786,0.0015805892784506786,dB,bcc,5.140332 +21,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,49.0,1.0,0.028622071622212725,0.028622071622212725,dB,bcc,5.141722 +22,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,51.0,1.0,0.05361127072820578,-0.05361127072820578,dB,bcc,5.1374949999999995 +23,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,53.0,1.0,0.011142525435809285,-0.011142525435809285,dB,bcc,5.139678 +24,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,55.0,1.0,0.015723868173328368,0.015723868173328368,dB,bcc,5.141058999999999 +25,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,57.0,1.0,0.027036691676706345,-0.027036691676706345,dB,bcc,5.138861 +26,Tetra,allKp,DMol3,Ir,PBE,5.140250753747701,0.000527735421941735,59.0,1.0,0.004897693901736318,-0.004897693901736318,dB,bcc,5.1399989999999995 +0,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,7.0,1.0,0.7140515559339746,-0.7140515559339746,B,fcc,330.465302 +1,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,9.0,1.0,0.01563331459745352,-0.01563331459745352,B,fcc,332.789931 +2,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,11.0,1.0,0.1796571027697936,-0.1796571027697936,B,fcc,332.243991 +3,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,13.0,1.0,0.05417669263476044,0.05417669263476044,B,fcc,333.022288 +4,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,15.0,1.0,0.08672577337481759,0.08672577337481759,B,fcc,333.130625 +5,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,17.0,1.0,0.02111655854875811,0.02111655854875811,B,fcc,332.91225 +6,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,19.0,1.0,0.03865414970961817,-0.03865414970961817,B,fcc,332.713308 +7,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,21.0,1.0,0.02050018887779257,-0.02050018887779257,B,fcc,332.773732 +8,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,23.0,1.0,0.07053821121975258,0.07053821121975258,B,fcc,333.076746 +9,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,25.0,1.0,0.013844778108121214,-0.013844778108121214,B,fcc,332.795884 +10,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,27.0,1.0,7.774514337575073e-05,7.774514337575073e-05,B,fcc,332.8422240000001 +11,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,29.0,1.0,0.007514607854692717,0.007514607854692717,B,fcc,332.866977 +12,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,31.0,1.0,0.0180690050592314,-0.0180690050592314,B,fcc,332.78182400000014 +13,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,33.0,1.0,0.002553995394530892,0.002553995394530892,B,fcc,332.8504660000001 +14,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,35.0,1.0,0.012976058602747371,0.012976058602747371,B,fcc,332.885155 +15,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,37.0,1.0,0.0057862990694810285,-0.0057862990694810285,B,fcc,332.822706 +16,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,39.0,1.0,0.0008213412816287678,0.0008213412816287678,B,fcc,332.84469900000005 +17,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,41.0,1.0,0.009155626887904564,0.009155626887904564,B,fcc,332.872439 +18,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,43.0,1.0,0.0006547346082088957,-0.0006547346082088957,B,fcc,332.839786 +19,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,45.0,1.0,0.010289798775572848,0.010289798775572848,B,fcc,332.876214 +20,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,47.0,1.0,0.0009179225747250255,-0.0009179225747250255,B,fcc,332.83891 +21,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,49.0,1.0,0.0042870890775710616,-0.0042870890775710616,B,fcc,332.827696 +22,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,51.0,1.0,0.00941280599676996,0.00941280599676996,B,fcc,332.8732950000001 +23,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,53.0,1.0,0.009267530768104972,-0.009267530768104972,B,fcc,332.811119 +24,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,55.0,1.0,0.007120727233594309,0.007120727233594309,B,fcc,332.8656660000001 +25,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,57.0,1.0,0.004252999904356653,0.004252999904356653,B,fcc,332.856121 +26,Tetra,allKp,DMol3,Ir,PBE,332.841965231537,0.00949125195451638,59.0,1.0,0.002473014943082251,-0.002473014943082251,B,fcc,332.833734 +0,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,7.0,1.0,0.4074772721178333,0.4074772721178333,E0,fcc,-6.815714 +1,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,9.0,1.0,0.10034129964841967,-0.10034129964841967,E0,fcc,-6.781242999999999 +2,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,11.0,1.0,0.2284339712131317,-0.2284339712131317,E0,fcc,-6.772548 +3,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,13.0,1.0,0.014389663680633031,0.014389663680633031,E0,fcc,-6.789031 +4,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,15.0,1.0,0.0055948016997092115,0.0055948016997092115,E0,fcc,-6.788434 +5,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,17.0,1.0,0.010683795434161331,-0.010683795434161331,E0,fcc,-6.787329 +6,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,19.0,1.0,0.02021524552067541,-0.02021524552067541,E0,fcc,-6.786682000000001 +7,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,21.0,1.0,0.007973151205509099,-0.007973151205509099,E0,fcc,-6.7875130000000015 +8,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,23.0,1.0,0.013505757953927337,0.013505757953927337,E0,fcc,-6.788971000000001 +9,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,25.0,1.0,0.006382120897402211,-0.006382120897402211,E0,fcc,-6.7876210000000015 +10,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,27.0,1.0,0.005159384642123166,-0.005159384642123166,E0,fcc,-6.787704 +11,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,29.0,1.0,0.002118105841264567,0.002118105841264567,E0,fcc,-6.7881979999999995 +12,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,31.0,1.0,0.00041575724201774097,-0.00041575724201774097,E0,fcc,-6.7880259999999994 +13,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,33.0,1.0,0.0015059076382955125,-0.0015059076382955125,E0,fcc,-6.7879520000000015 +14,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,35.0,1.0,0.0009395648722756645,0.0009395648722756645,E0,fcc,-6.788117999999999 +15,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,37.0,1.0,0.0004599525283602221,-0.0004599525283602221,E0,fcc,-6.788023 +16,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,39.0,1.0,0.0009608324401762533,-0.0009608324401762533,E0,fcc,-6.787989 +17,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,41.0,1.0,0.00046814848470103836,0.00046814848470103836,E0,fcc,-6.788086 +18,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,43.0,1.0,0.00012112199977378635,-0.00012112199977378635,E0,fcc,-6.7880460000000005 +19,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,45.0,1.0,0.000674393154273115,0.000674393154273115,E0,fcc,-6.7881 +20,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,47.0,1.0,0.0008724418675043755,-0.0008724418675043755,E0,fcc,-6.787995 +21,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,49.0,1.0,0.00026843962090230584,-0.00026843962090230584,E0,fcc,-6.788036 +22,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,51.0,1.0,0.0009101013480735123,0.0009101013480735123,E0,fcc,-6.7881160000000005 +23,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,53.0,1.0,0.0007398560085031008,-0.0007398560085031008,E0,fcc,-6.788003999999999 +24,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,55.0,1.0,7.039090767104543e-05,7.039090767104543e-05,E0,fcc,-6.788059 +25,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,57.0,1.0,0.0003208308635594344,0.0003208308635594344,E0,fcc,-6.7880759999999984 +26,Tetra,allKp,DMol3,Ir,PBE,-6.78805422182702,1.70419287135571e-05,59.0,1.0,0.00031263490723170263,-0.00031263490723170263,E0,fcc,-6.788033 +0,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,7.0,1.0,0.09154051404084973,-0.09154051404084973,v0,fcc,14.6624 +1,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,9.0,1.0,0.0324728782172034,0.0324728782172034,v0,fcc,14.6806 +2,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,11.0,1.0,0.10129349699776748,0.10129349699776748,v0,fcc,14.6907 +3,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,13.0,1.0,0.003173010815571475,0.003173010815571475,v0,fcc,14.6763 +4,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,15.0,1.0,0.0172687571390532,-0.0172687571390532,v0,fcc,14.6733 +5,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,17.0,1.0,0.015224580343583469,-0.015224580343583469,v0,fcc,14.6736 +6,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,19.0,1.0,0.01748224838381117,0.01748224838381117,v0,fcc,14.6784 +7,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,21.0,1.0,0.0052171876110412045,0.0052171876110412045,v0,fcc,14.6766 +8,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,23.0,1.0,0.008410657692045945,-0.008410657692045945,v0,fcc,14.6746 +9,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,25.0,1.0,0.0004474417549613072,0.0004474417549613072,v0,fcc,14.6759 +10,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,27.0,1.0,0.0004474417549613072,0.0004474417549613072,v0,fcc,14.6759 +11,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,29.0,1.0,0.00023395051019123466,-0.00023395051019123466,v0,fcc,14.6758 +12,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,31.0,1.0,0.0004474417549613072,0.0004474417549613072,v0,fcc,14.6759 +13,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,33.0,1.0,0.0011288340201017454,0.0011288340201017454,v0,fcc,14.675999999999998 +14,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,35.0,1.0,0.00023395051019123466,-0.00023395051019123466,v0,fcc,14.6758 +15,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,37.0,1.0,0.0015967350405084225,-0.0015967350405084225,v0,fcc,14.6756 +16,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,39.0,1.0,0.0009153427753437768,-0.0009153427753437768,v0,fcc,14.6757 +17,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,41.0,1.0,0.001810226285266391,0.001810226285266391,v0,fcc,14.6761 +18,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,43.0,1.0,0.00023395051019123466,-0.00023395051019123466,v0,fcc,14.6758 +19,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,45.0,1.0,0.0009153427753437768,-0.0009153427753437768,v0,fcc,14.6757 +20,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,47.0,1.0,0.001810226285266391,0.001810226285266391,v0,fcc,14.6761 +21,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,49.0,1.0,0.0009153427753437768,-0.0009153427753437768,v0,fcc,14.6757 +22,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,51.0,1.0,0.00023395051019123466,-0.00023395051019123466,v0,fcc,14.6758 +23,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,53.0,1.0,0.0004474417549613072,0.0004474417549613072,v0,fcc,14.6759 +24,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,55.0,1.0,0.00023395051019123466,-0.00023395051019123466,v0,fcc,14.6758 +25,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,57.0,1.0,0.0004474417549613072,0.0004474417549613072,v0,fcc,14.6759 +26,Tetra,allKp,DMol3,Ir,PBE,14.6758343341893,4.25435712537469e-05,59.0,1.0,0.00023395051019123466,-0.00023395051019123466,v0,fcc,14.6758 +0,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,7.0,1.0,0.7381088570758784,0.7381088570758784,dB,fcc,5.2160150000000005 +1,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,9.0,1.0,0.6041994073337471,-0.6041994073337471,dB,fcc,5.146513 +2,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,11.0,1.0,0.3062155477099082,-0.3062155477099082,dB,fcc,5.161942 +3,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,13.0,1.0,0.02742904089352344,-0.02742904089352344,dB,fcc,5.176377 +4,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,15.0,1.0,0.03885397201911095,0.03885397201911095,dB,fcc,5.179809 +5,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,17.0,1.0,0.034238109523162134,0.034238109523162134,dB,fcc,5.17957 +6,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,19.0,1.0,0.10201674365243188,-0.10201674365243188,dB,fcc,5.172515 +7,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,21.0,1.0,0.016787449950952774,-0.016787449950952774,dB,fcc,5.176928 +8,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,23.0,1.0,0.010869098560367763,0.010869098560367763,dB,fcc,5.17836 +9,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,25.0,1.0,0.10248026122524367,-0.10248026122524367,dB,fcc,5.172491 +10,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,27.0,1.0,0.010598713309572324,0.010598713309572324,dB,fcc,5.178346 +11,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,29.0,1.0,0.0056931523306075595,0.0056931523306075595,dB,fcc,5.1780919999999995 +12,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,31.0,1.0,0.06342040337834147,0.06342040337834147,dB,fcc,5.181081 +13,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,33.0,1.0,0.013774585727659008,-0.013774585727659008,dB,fcc,5.177084 +14,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,35.0,1.0,0.011051419987364034,-0.011051419987364034,dB,fcc,5.177225 +15,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,37.0,1.0,0.07186028585002184,0.07186028585002184,dB,fcc,5.181518 +16,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,39.0,1.0,0.024639433119469444,0.024639433119469444,dB,fcc,5.179073000000002 +17,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,41.0,1.0,0.005778907596587078,-0.005778907596587078,dB,fcc,5.177498 +18,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,43.0,1.0,0.018845463459253496,0.018845463459253496,dB,fcc,5.1787730000000005 +19,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,45.0,1.0,0.004311101949338318,-0.004311101949338318,dB,fcc,5.177574 +20,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,47.0,1.0,0.0359268630617967,-0.0359268630617967,dB,fcc,5.175937 +21,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,49.0,1.0,0.03294412296572636,0.03294412296572636,dB,fcc,5.1795029999999995 +22,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,51.0,1.0,0.0005643349024030196,-0.0005643349024030196,dB,fcc,5.177768 +23,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,53.0,1.0,0.0033647535714942424,-0.0033647535714942424,dB,fcc,5.1776230000000005 +24,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,55.0,1.0,0.0066974404050445325,0.0066974404050445325,dB,fcc,5.1781440000000005 +25,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,57.0,1.0,0.012113647758428207,-0.012113647758428207,dB,fcc,5.177169999999999 +26,Tetra,allKp,DMol3,Ir,PBE,5.177797220116889,0.00036643418695245,59.0,1.0,0.010386267755352629,0.010386267755352629,dB,fcc,5.178335 +0,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,7.0,1.0,1.446764046814738,-1.446764046814738,B,bcc,246.19253700000002 +1,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,9.0,1.0,0.4301079275032509,0.4301079275032509,B,bcc,250.88108799999998 +2,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,11.0,1.0,0.2764823133277626,0.2764823133277626,B,bcc,250.497321 +3,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,13.0,1.0,0.3479214010149243,-0.3479214010149243,B,bcc,248.93751899999998 +4,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,15.0,1.0,0.4075424753641287,0.4075424753641287,B,bcc,250.82471800000002 +5,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,17.0,1.0,0.26967808757239625,-0.26967808757239625,B,bcc,249.13297599999999 +6,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,19.0,1.0,0.00950102978500206,0.00950102978500206,B,bcc,249.83038399999998 +7,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,21.0,1.0,0.1896847840477328,0.1896847840477328,B,bcc,250.28049500000003 +8,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,23.0,1.0,0.2768640451978976,-0.2768640451978976,B,bcc,249.115025 +9,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,25.0,1.0,0.11615631707129835,0.11615631707129835,B,bcc,250.09681600000002 +10,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,27.0,1.0,0.04019740702662791,-0.04019740702662791,B,bcc,249.706234 +11,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,29.0,1.0,0.11214385046474358,-0.11214385046474358,B,bcc,249.52650699999998 +12,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,31.0,1.0,0.11651539478229694,0.11651539478229694,B,bcc,250.097713 +13,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,33.0,1.0,0.0953288457263487,-0.0953288457263487,B,bcc,249.568512 +14,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,35.0,1.0,0.002828505887957981,-0.002828505887957981,B,bcc,249.79958399999998 +15,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,37.0,1.0,0.032002832697762,0.032002832697762,B,bcc,249.88659500000003 +16,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,39.0,1.0,0.06838560780411998,-0.06838560780411998,B,bcc,249.63581800000003 +17,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,41.0,1.0,0.042165892816744883,0.042165892816744883,B,bcc,249.91198300000002 +18,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,43.0,1.0,0.015006724532211002,-0.015006724532211002,B,bcc,249.76916200000002 +19,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,45.0,1.0,0.008687437190211115,-0.008687437190211115,B,bcc,249.78494799999999 +20,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,47.0,1.0,0.02025374594446137,0.02025374594446137,B,bcc,249.857245 +21,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,49.0,1.0,0.02575543759567132,-0.02575543759567132,B,bcc,249.742311 +22,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,51.0,1.0,0.015715836321452327,0.015715836321452327,B,bcc,249.84590899999998 +23,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,53.0,1.0,0.007778734398737328,-0.007778734398737328,B,bcc,249.78721800000002 +24,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,55.0,1.0,0.017013876865460402,-0.017013876865460402,B,bcc,249.764148 +25,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,57.0,1.0,0.016015668211675046,0.016015668211675046,B,bcc,249.84665800000002 +26,Tetra,allKp,DMol3,Mn,PBE,249.806649795798,0.0206521710989052,59.0,1.0,0.007037361019955127,-0.007037361019955127,B,bcc,249.78907 +0,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,7.0,1.0,0.3821699443828953,-0.3821699443828953,E0,bcc,-3.7577309999999997 +1,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,9.0,1.0,0.18790392091087446,-0.18790392091087446,E0,bcc,-3.7650589999999995 +2,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,11.0,1.0,0.00699834499610484,0.00699834499610484,E0,bcc,-3.772411 +3,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,13.0,1.0,0.06457892893599904,-0.06457892893599904,E0,bcc,-3.769711 +4,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,15.0,1.0,0.011558082446596169,0.011558082446596169,E0,bcc,-3.772583 +5,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,17.0,1.0,0.029002372781592112,-0.029002372781592112,E0,bcc,-3.7710529999999998 +6,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,19.0,1.0,0.007158049181579236,-0.007158049181579236,E0,bcc,-3.7718769999999995 +7,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,21.0,1.0,0.0006094105451296872,0.0006094105451296872,E0,bcc,-3.7721699999999996 +8,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,23.0,1.0,0.016701685705863674,-0.016701685705863674,E0,bcc,-3.771517 +9,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,25.0,1.0,0.0005040137160389894,-0.0005040137160389894,E0,bcc,-3.772128 +10,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,27.0,1.0,0.005302342079635365,-0.005302342079635365,E0,bcc,-3.771947 +11,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,29.0,1.0,0.005726503702937157,-0.005726503702937157,E0,bcc,-3.771931 +12,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,31.0,1.0,0.0007949812553264289,0.0007949812553264289,E0,bcc,-3.7721769999999997 +13,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,33.0,1.0,0.0037647561951413507,-0.0037647561951413507,E0,bcc,-3.7720050000000014 +14,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,35.0,1.0,0.0014583773684709654,-0.0014583773684709654,E0,bcc,-3.772092 +15,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,37.0,1.0,0.0007160945276839993,-0.0007160945276839993,E0,bcc,-3.7721199999999997 +16,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,39.0,1.0,0.0023067006150627773,-0.0023067006150627773,E0,bcc,-3.7720599999999997 +17,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,41.0,1.0,0.00029193290438220683,-0.00029193290438220683,E0,bcc,-3.772136 +18,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,43.0,1.0,0.0011402561509857914,-0.0011402561509857914,E0,bcc,-3.772104 +19,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,45.0,1.0,0.0008486450349724316,-0.0008486450349724316,E0,bcc,-3.7721150000000003 +20,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,47.0,1.0,0.0005570339189472986,-0.0005570339189472986,E0,bcc,-3.772126 +21,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,49.0,1.0,0.000981195542249091,-0.000981195542249091,E0,bcc,-3.77211 +22,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,51.0,1.0,0.0003184430058422478,-0.0003184430058422478,E0,bcc,-3.772135 +23,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,53.0,1.0,0.0006100541218673807,-0.0006100541218673807,E0,bcc,-3.772124 +24,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,55.0,1.0,0.0005570339189472986,-0.0005570339189472986,E0,bcc,-3.772126 +25,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,57.0,1.0,0.0001858924985655883,-0.0001858924985655883,E0,bcc,-3.7721400000000003 +26,Tetra,allKp,DMol3,Mn,PBE,-3.77214701213833,5.12021852421947e-06,59.0,1.0,0.00045099351311890735,-0.00045099351311890735,E0,bcc,-3.77213 +0,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,7.0,1.0,0.4675385525307333,0.4675385525307333,v0,bcc,10.9191 +1,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,9.0,1.0,0.07072476636213257,-0.07072476636213257,v0,bcc,10.8606 +2,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,11.0,1.0,0.002883892631771303,0.002883892631771303,v0,bcc,10.8686 +3,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,13.0,1.0,0.032080220390329366,-0.032080220390329366,v0,bcc,10.8648 +4,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,15.0,1.0,0.02471935449094061,-0.02471935449094061,v0,bcc,10.8656 +5,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,17.0,1.0,0.04244854684097972,0.04244854684097972,v0,bcc,10.8729 +6,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,19.0,1.0,0.032080220390329366,-0.032080220390329366,v0,bcc,10.8648 +7,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,21.0,1.0,0.021286057380235014,0.021286057380235014,v0,bcc,10.8706 +8,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,23.0,1.0,0.0010436761569118569,0.0010436761569118569,v0,bcc,10.8684 +9,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,25.0,1.0,0.0145981638792872,-0.0145981638792872,v0,bcc,10.8667 +10,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,27.0,1.0,0.023126273855078115,0.023126273855078115,v0,bcc,10.8708 +11,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,29.0,1.0,0.0099976226921631,-0.0099976226921631,v0,bcc,10.8672 +12,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,31.0,1.0,0.00012356791949030577,0.00012356791949030577,v0,bcc,10.8683 +13,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,33.0,1.0,0.006564325581473853,0.006564325581473853,v0,bcc,10.869000000000002 +14,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,35.0,1.0,0.005397081505055345,-0.005397081505055345,v0,bcc,10.8677 +15,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,37.0,1.0,0.006564325581473853,0.006564325581473853,v0,bcc,10.869000000000002 +16,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,39.0,1.0,0.0007965403179312452,-0.0007965403179312452,v0,bcc,10.8682 +17,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,41.0,1.0,0.0007965403179312452,-0.0007965403179312452,v0,bcc,10.8682 +18,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,43.0,1.0,0.002883892631771303,0.002883892631771303,v0,bcc,10.8686 +19,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,45.0,1.0,0.002636756792774348,-0.002636756792774348,v0,bcc,10.868 +20,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,47.0,1.0,0.002883892631771303,0.002883892631771303,v0,bcc,10.8686 +21,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,49.0,1.0,0.00012356791949030577,0.00012356791949030577,v0,bcc,10.8683 +22,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,51.0,1.0,0.0007965403179312452,-0.0007965403179312452,v0,bcc,10.8682 +23,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,53.0,1.0,0.0019637843943334076,0.0019637843943334076,v0,bcc,10.8685 +24,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,55.0,1.0,0.0017166485553527964,-0.0017166485553527964,v0,bcc,10.8681 +25,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,57.0,1.0,0.0010436761569118569,0.0010436761569118569,v0,bcc,10.8684 +26,Tetra,allKp,DMol3,Mn,PBE,10.8682865702844,8.02845919850403e-05,59.0,1.0,0.00012356791949030577,0.00012356791949030577,v0,bcc,10.8683 +0,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,7.0,1.0,1.3107552942235514,-1.3107552942235514,dB,bcc,4.93658 +1,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,9.0,1.0,3.1045454382017885,-3.1045454382017885,dB,bcc,4.846851999999998 +2,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,11.0,1.0,0.35378600479225225,-0.35378600479225225,dB,bcc,4.984449 +3,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,13.0,1.0,0.5844113411521356,0.5844113411521356,dB,bcc,5.031379 +4,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,15.0,1.0,0.13932236373672024,0.13932236373672024,dB,bcc,5.009115 +5,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,17.0,1.0,0.5426849334483027,-0.5426849334483027,dB,bcc,4.975 +6,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,19.0,1.0,0.6228148591908865,0.6228148591908865,dB,bcc,5.0333 +7,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,21.0,1.0,0.3851125601106948,-0.3851125601106948,dB,bcc,4.982882 +8,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,23.0,1.0,0.4566661666244328,0.4566661666244328,dB,bcc,5.024989 +9,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,25.0,1.0,0.3132077358872082,0.3132077358872082,dB,bcc,5.017812999999999 +10,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,27.0,1.0,0.8404371446244268,-0.8404371446244268,dB,bcc,4.960106 +11,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,29.0,1.0,0.5212984278526201,0.5212984278526201,dB,bcc,5.028222 +12,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,31.0,1.0,0.033647717014753914,0.033647717014753914,dB,bcc,5.0038290000000005 +13,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,33.0,1.0,0.1438361107562737,-0.1438361107562737,dB,bcc,4.994951 +14,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,35.0,1.0,0.3088695977225291,0.3088695977225291,dB,bcc,5.017596 +15,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,37.0,1.0,0.29840977107678884,-0.29840977107678884,dB,bcc,4.9872190000000005 +16,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,39.0,1.0,0.11609233356437652,0.11609233356437652,dB,bcc,5.007953 +17,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,41.0,1.0,0.08364625871956,0.08364625871956,dB,bcc,5.00633 +18,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,43.0,1.0,0.14503559596311433,-0.14503559596311433,dB,bcc,4.994891 +19,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,45.0,1.0,0.21816852466582096,0.21816852466582096,dB,bcc,5.013058999999998 +20,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,47.0,1.0,0.1236647678613727,-0.1236647678613727,dB,bcc,4.99596 +21,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,49.0,1.0,0.04830142795821634,0.04830142795821634,dB,bcc,5.004562 +22,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,51.0,1.0,0.0961408962907412,0.0961408962907412,dB,bcc,5.0069550000000005 +23,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,53.0,1.0,0.07770449301956661,-0.07770449301956661,dB,bcc,4.998259 +24,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,55.0,1.0,0.1627922909504108,0.1627922909504108,dB,bcc,5.010289 +25,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,57.0,1.0,0.044438769950072975,-0.044438769950072975,dB,bcc,4.999923 +26,Tetra,allKp,DMol3,Mn,PBE,5.00214589210556,0.00232553868065535,59.0,1.0,0.011552883862742868,-0.011552883862742868,dB,bcc,5.001568 +0,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,7.0,1.0,1.160732768695354,1.160732768695354,B,fcc,265.154659 +1,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,9.0,1.0,0.657398679797089,-0.657398679797089,B,fcc,260.389114 +2,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,11.0,1.0,0.2561896349552565,-0.2561896349552565,B,fcc,261.44073199999997 +3,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,13.0,1.0,0.22067936485002707,0.22067936485002707,B,fcc,262.690664 +4,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,15.0,1.0,0.12668184554255973,0.12668184554255973,B,fcc,262.44428500000004 +5,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,17.0,1.0,0.037621142683875376,0.037621142683875376,B,fcc,262.210846 +6,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,19.0,1.0,0.09000862443429405,0.09000862443429405,B,fcc,262.34816 +7,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,21.0,1.0,0.010952705587238754,-0.010952705587238754,B,fcc,262.083528 +8,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,23.0,1.0,0.03355256617282553,-0.03355256617282553,B,fcc,262.024291 +9,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,25.0,1.0,0.011692465022647336,-0.011692465022647336,B,fcc,262.081589 +10,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,27.0,1.0,0.04244341397211414,-0.04244341397211414,B,fcc,262.000987 +11,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,29.0,1.0,0.02744792938787046,-0.02744792938787046,B,fcc,262.04029199999997 +12,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,31.0,1.0,0.03347702601386726,-0.03347702601386726,B,fcc,262.024489 +13,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,33.0,1.0,0.006680961821070415,0.006680961821070415,B,fcc,262.129748 +14,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,35.0,1.0,0.007453441254296114,-0.007453441254296114,B,fcc,262.0927 +15,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,37.0,1.0,0.016864004157626455,0.016864004157626455,B,fcc,262.15643900000003 +16,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,39.0,1.0,0.002453293157062023,-0.002453293157062023,B,fcc,262.10580600000003 +17,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,41.0,1.0,0.004754687767753975,0.004754687767753975,B,fcc,262.124699 +18,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,43.0,1.0,0.01437528521336308,-0.01437528521336308,B,fcc,262.07455699999997 +19,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,45.0,1.0,0.007173117402126644,0.007173117402126644,B,fcc,262.131038 +20,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,47.0,1.0,0.015472525097970431,-0.015472525097970431,B,fcc,262.071681 +21,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,49.0,1.0,0.0005484743714558171,0.0005484743714558171,B,fcc,262.113674 +22,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,51.0,1.0,0.002472840845005513,0.002472840845005513,B,fcc,262.118718 +23,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,53.0,1.0,0.0034330261277559808,-0.0034330261277559808,B,fcc,262.103238 +24,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,55.0,1.0,0.003171687699039693,-0.003171687699039693,B,fcc,262.103923 +25,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,57.0,1.0,0.004143499208949274,0.004143499208949274,B,fcc,262.12309700000003 +26,Tetra,allKp,DMol3,Mn,PBE,262.112236381559,0.00645720279226579,59.0,1.0,0.0033288722722098025,-0.0033288722722098025,B,fcc,262.10351099999997 +0,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,7.0,1.0,0.13794863085806727,-0.13794863085806727,E0,fcc,-3.775889 +1,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,9.0,1.0,0.06625001332408872,-0.06625001332408872,E0,fcc,-3.7786 +2,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,11.0,1.0,0.1164205324911686,-0.1164205324911686,E0,fcc,-3.776703 +3,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,13.0,1.0,0.0509379521104495,0.0509379521104495,E0,fcc,-3.783031 +4,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,15.0,1.0,0.04117797738819029,-0.04117797738819029,E0,fcc,-3.779548 +5,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,17.0,1.0,0.010103328181103554,0.010103328181103554,E0,fcc,-3.7814870000000003 +6,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,19.0,1.0,0.009811485173040127,-0.009811485173040127,E0,fcc,-3.780734 +7,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,21.0,1.0,0.0006342737070510714,-0.0006342737070510714,E0,fcc,-3.781081 +8,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,23.0,1.0,0.0051832084971093866,-0.0051832084971093866,E0,fcc,-3.780909 +9,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,25.0,1.0,0.0021417695386389355,-0.0021417695386389355,E0,fcc,-3.781024 +10,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,27.0,1.0,0.002908741102080229,-0.002908741102080229,E0,fcc,-3.780995 +11,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,29.0,1.0,0.0010309831363897182,-0.0010309831363897182,E0,fcc,-3.7810660000000014 +12,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,31.0,1.0,0.0018772965857269293,-0.0018772965857269293,E0,fcc,-3.7810339999999996 +13,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,33.0,1.0,4.613799400919793e-07,4.613799400919793e-07,E0,fcc,-3.781105 +14,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,35.0,1.0,0.0012425614987475108,-0.0012425614987475108,E0,fcc,-3.7810580000000003 +15,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,37.0,1.0,0.00021203974226264983,0.00021203974226264983,E0,fcc,-3.781113 +16,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,39.0,1.0,0.0008194047740906503,-0.0008194047740906503,E0,fcc,-3.781074 +17,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,41.0,1.0,0.00010532780122705942,-0.00010532780122705942,E0,fcc,-3.781101 +18,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,43.0,1.0,0.000766510183501202,-0.000766510183501202,E0,fcc,-3.781076 +19,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,45.0,1.0,7.888050593233534e-05,-7.888050593233534e-05,E0,fcc,-3.7811019999999997 +20,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,47.0,1.0,0.0006342737070510714,-0.0006342737070510714,E0,fcc,-3.781081 +21,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,49.0,1.0,7.888050593233534e-05,-7.888050593233534e-05,E0,fcc,-3.7811019999999997 +22,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,51.0,1.0,0.0003169061635613622,-0.0003169061635613622,E0,fcc,-3.781093 +23,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,53.0,1.0,0.00015822239180476264,-0.00015822239180476264,E0,fcc,-3.7810989999999998 +24,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,55.0,1.0,0.00023756427768893492,-0.00023756427768893492,E0,fcc,-3.781096 +25,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,57.0,1.0,0.00010532780122705942,-0.00010532780122705942,E0,fcc,-3.781101 +26,Tetra,allKp,DMol3,Mn,PBE,-3.78110498255474,2.96540086395403e-06,59.0,1.0,0.00018466968707599686,-0.00018466968707599686,E0,fcc,-3.7810980000000014 +0,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,7.0,1.0,0.15395147308441376,0.15395147308441376,v0,fcc,10.8113 +1,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,9.0,1.0,0.029816267351594594,0.029816267351594594,v0,fcc,10.7979 +2,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,11.0,1.0,0.02391389632381531,-0.02391389632381531,v0,fcc,10.7921 +3,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,13.0,1.0,0.04707344963217427,-0.04707344963217427,v0,fcc,10.7896 +4,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,15.0,1.0,0.026693042720812462,-0.026693042720812462,v0,fcc,10.7918 +5,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,17.0,1.0,0.0007543430154398932,-0.0007543430154398932,v0,fcc,10.7946 +6,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,19.0,1.0,0.0007543430154398932,-0.0007543430154398932,v0,fcc,10.7946 +7,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,21.0,1.0,0.012215006837229935,0.012215006837229935,v0,fcc,10.796 +8,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,23.0,1.0,0.007239017941783036,-0.007239017941783036,v0,fcc,10.7939 +9,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,25.0,1.0,0.005730331910886793,0.005730331910886793,v0,fcc,10.7953 +10,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,27.0,1.0,0.0010984212492248745,0.0010984212492248745,v0,fcc,10.7948 +11,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,29.0,1.0,0.0010984212492248745,0.0010984212492248745,v0,fcc,10.7948 +12,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,31.0,1.0,0.0010984212492248745,0.0010984212492248745,v0,fcc,10.7948 +13,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,33.0,1.0,0.0007543430154398932,-0.0007543430154398932,v0,fcc,10.7946 +14,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,35.0,1.0,0.0010984212492248745,0.0010984212492248745,v0,fcc,10.7948 +15,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,37.0,1.0,0.0010984212492248745,0.0010984212492248745,v0,fcc,10.7948 +16,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,39.0,1.0,0.00017203911689249067,0.00017203911689249067,v0,fcc,10.7947 +17,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,41.0,1.0,0.002951185513889642,0.002951185513889642,v0,fcc,10.795 +18,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,43.0,1.0,0.0016807251477887325,-0.0016807251477887325,v0,fcc,10.7945 +19,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,45.0,1.0,0.0020248033815572584,0.0020248033815572584,v0,fcc,10.7949 +20,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,47.0,1.0,0.0007543430154398932,-0.0007543430154398932,v0,fcc,10.7946 +21,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,49.0,1.0,0.00017203911689249067,0.00017203911689249067,v0,fcc,10.7947 +22,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,51.0,1.0,0.00017203911689249067,0.00017203911689249067,v0,fcc,10.7947 +23,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,53.0,1.0,0.00017203911689249067,0.00017203911689249067,v0,fcc,10.7947 +24,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,55.0,1.0,0.00017203911689249067,0.00017203911689249067,v0,fcc,10.7947 +25,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,57.0,1.0,0.00017203911689249067,0.00017203911689249067,v0,fcc,10.7947 +26,Tetra,allKp,DMol3,Mn,PBE,10.794681428925399,2.74316344699572e-05,59.0,1.0,0.00017203911689249067,0.00017203911689249067,v0,fcc,10.7947 +0,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,7.0,1.0,3.756801295038525,-3.756801295038525,dB,fcc,4.263535 +1,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,9.0,1.0,1.9520541388877333,1.9520541388877333,dB,fcc,4.5164349999999995 +2,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,11.0,1.0,0.05372990908927283,0.05372990908927283,dB,fcc,4.43234 +3,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,13.0,1.0,1.7532712960599008,1.7532712960599008,dB,fcc,4.507629 +4,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,15.0,1.0,0.5921320876364374,0.5921320876364374,dB,fcc,4.4561910000000005 +5,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,17.0,1.0,0.25519900654990835,0.25519900654990835,dB,fcc,4.4412650000000005 +6,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,19.0,1.0,0.2843318504143999,-0.2843318504143999,dB,fcc,4.417364 +7,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,21.0,1.0,0.23859780095163285,-0.23859780095163285,dB,fcc,4.41939 +8,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,23.0,1.0,0.2737544797277817,0.2737544797277817,dB,fcc,4.442087 +9,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,25.0,1.0,0.20223178235116668,-0.20223178235116668,dB,fcc,4.421001 +10,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,27.0,1.0,0.14805521832814772,-0.14805521832814772,dB,fcc,4.423401 +11,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,29.0,1.0,0.007476667554626064,0.007476667554626064,dB,fcc,4.430291 +12,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,31.0,1.0,0.050018211014785804,-0.050018211014785804,dB,fcc,4.4277440000000015 +13,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,33.0,1.0,0.04700298572308261,0.04700298572308261,dB,fcc,4.432042 +14,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,35.0,1.0,0.0421174620947597,-0.0421174620947597,dB,fcc,4.4280940000000015 +15,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,37.0,1.0,0.1455721258104195,-0.1455721258104195,dB,fcc,4.423511 +16,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,39.0,1.0,0.0628851449702884,-0.0628851449702884,dB,fcc,4.427174 +17,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,41.0,1.0,0.1650531152903418,-0.1650531152903418,dB,fcc,4.4226480000000015 +18,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,43.0,1.0,0.05038902097451378,0.05038902097451378,dB,fcc,4.432192 +19,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,45.0,1.0,0.10227602172868852,-0.10227602172868852,dB,fcc,4.425429 +20,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,47.0,1.0,0.02077249930860397,0.02077249930860397,dB,fcc,4.43088 +21,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,49.0,1.0,0.008153874604908287,0.008153874604908287,dB,fcc,4.430321 +22,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,51.0,1.0,0.015932122816993275,-0.015932122816993275,dB,fcc,4.429254 +23,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,53.0,1.0,0.008582772403423703,0.008582772403423703,dB,fcc,4.43034 +24,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,55.0,1.0,0.0002079785481900191,0.0002079785481900191,dB,fcc,4.429969 +25,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,57.0,1.0,0.030920972196706805,-0.030920972196706805,dB,fcc,4.42859 +26,Tetra,allKp,DMol3,Mn,PBE,4.42995978663395,0.000616118106167513,59.0,1.0,0.012184910472064887,-0.012184910472064887,dB,fcc,4.4294199999999995 +0,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,7.0,1.0,0.8166344901651204,-0.8166344901651204,B,bcc,251.038523 +1,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,9.0,1.0,0.5746546850979666,0.5746546850979666,B,bcc,254.559952 +2,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,11.0,1.0,0.12124295909576252,-0.12124295909576252,B,bcc,252.79859700000003 +3,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,13.0,1.0,0.1866220282589443,-0.1866220282589443,B,bcc,252.633119 +4,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,15.0,1.0,0.03325824574913719,0.03325824574913719,B,bcc,253.189648 +5,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,17.0,1.0,0.01422472655030928,-0.01422472655030928,B,bcc,253.069466 +6,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,19.0,1.0,0.09499382267242522,-0.09499382267242522,B,bcc,252.865035 +7,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,21.0,1.0,0.02940767704474939,0.02940767704474939,B,bcc,253.179902 +8,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,23.0,1.0,0.034579087161079894,-0.034579087161079894,B,bcc,253.017948 +9,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,25.0,1.0,0.02258724832303557,-0.02258724832303557,B,bcc,253.0483 +10,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,27.0,1.0,0.01003986168894183,0.01003986168894183,B,bcc,253.13088100000002 +11,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,29.0,1.0,0.018158659711566903,-0.018158659711566903,B,bcc,253.059509 +12,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,31.0,1.0,0.004363571869952196,0.004363571869952196,B,bcc,253.11651400000002 +13,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,33.0,1.0,0.006825439592003016,-0.006825439592003016,B,bcc,253.088194 +14,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,35.0,1.0,0.008322443985687713,-0.008322443985687713,B,bcc,253.08440499999998 +15,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,37.0,1.0,0.0014442836558511128,-0.0014442836558511128,B,bcc,253.10181400000002 +16,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,39.0,1.0,0.006481709366998564,-0.006481709366998564,B,bcc,253.089064 +17,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,41.0,1.0,0.005647226468822418,0.005647226468822418,B,bcc,253.11976299999998 +18,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,43.0,1.0,0.0021823159090624887,-0.0021823159090624887,B,bcc,253.099946 +19,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,45.0,1.0,0.003743325241201634,-0.003743325241201634,B,bcc,253.09599500000002 +20,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,47.0,1.0,0.00029575059369934284,-0.00029575059369934284,B,bcc,253.10472099999998 +21,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,49.0,1.0,0.0014652235431130574,-0.0014652235431130574,B,bcc,253.10176099999998 +22,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,51.0,1.0,0.00593490174470479,-0.00593490174470479,B,bcc,253.090448 +23,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,53.0,1.0,0.0014656186353246994,-0.0014656186353246994,B,bcc,253.10176 +24,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,55.0,1.0,0.0014652235431130574,-0.0014652235431130574,B,bcc,253.10176099999998 +25,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,57.0,1.0,0.005050290280603655,-0.005050290280603655,B,bcc,253.092687 +26,Tetra,allKp,DMol3,Mo,PBE,253.10546956092887,0.00384220871850304,59.0,1.0,0.002418532907131277,0.002418532907131277,B,bcc,253.111591 +0,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,7.0,1.0,0.5219959368543036,-0.5219959368543036,E0,bcc,-6.084897 +1,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,9.0,1.0,0.08170227117209404,-0.08170227117209404,E0,bcc,-6.111829 +2,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,11.0,1.0,0.06538662144871367,-0.06538662144871367,E0,bcc,-6.112826999999999 +3,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,13.0,1.0,0.0540081723429586,-0.0540081723429586,E0,bcc,-6.1135230000000025 +4,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,15.0,1.0,0.015883828500284542,-0.015883828500284542,E0,bcc,-6.1158550000000025 +5,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,17.0,1.0,0.019905521718704727,-0.019905521718704727,E0,bcc,-6.115609 +6,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,19.0,1.0,0.014510567401346148,-0.014510567401346148,E0,bcc,-6.115939 +7,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,21.0,1.0,0.008461679227362686,-0.008461679227362686,E0,bcc,-6.1163089999999976 +8,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,23.0,1.0,0.00965510851572633,-0.00965510851572633,E0,bcc,-6.116236 +9,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,25.0,1.0,0.003753355459451525,-0.003753355459451525,E0,bcc,-6.1165970000000005 +10,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,27.0,1.0,0.00545358348674592,-0.00545358348674592,E0,bcc,-6.116493 +11,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,29.0,1.0,0.0026089712103289373,-0.0026089712103289373,E0,bcc,-6.116667 +12,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,31.0,1.0,0.002837848060144742,-0.002837848060144742,E0,bcc,-6.1166529999999995 +13,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,33.0,1.0,0.002412791053321143,-0.002412791053321143,E0,bcc,-6.116679 +14,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,35.0,1.0,0.002102172471412707,-0.002102172471412707,E0,bcc,-6.116698 +15,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,37.0,1.0,0.002363746014080085,-0.002363746014080085,E0,bcc,-6.116682 +16,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,39.0,1.0,0.0010068332615311775,-0.0010068332615311775,E0,bcc,-6.116765 +17,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,41.0,1.0,0.001644418771766576,-0.001644418771766576,E0,bcc,-6.116726 +18,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,43.0,1.0,0.0007289113724597934,-0.0007289113724597934,E0,bcc,-6.116782 +19,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,45.0,1.0,0.0011539683792833927,-0.0011539683792833927,E0,bcc,-6.116756 +20,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,47.0,1.0,0.0008760464901974884,-0.0008760464901974884,E0,bcc,-6.116773 +21,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,49.0,1.0,0.0007452597188783197,-0.0007452597188783197,E0,bcc,-6.116781 +22,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,51.0,1.0,0.0009087431830345408,-0.0009087431830345408,E0,bcc,-6.116771 +23,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,53.0,1.0,0.00030385436563619466,-0.00030385436563619466,E0,bcc,-6.116808 +24,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,55.0,1.0,0.0007452597188783197,-0.0007452597188783197,E0,bcc,-6.116781 +25,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,57.0,1.0,0.00030385436563619466,-0.00030385436563619466,E0,bcc,-6.116808 +26,Tetra,allKp,DMol3,Mo,PBE,-6.1168265862446205,5.84244721429104e-06,59.0,1.0,0.0005000345226294679,-0.0005000345226294679,E0,bcc,-6.116796 +0,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,7.0,1.0,0.10869288376534232,0.10869288376534232,v0,bcc,16.0214 +1,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,9.0,1.0,0.021839623058768864,0.021839623058768864,v0,bcc,16.0075 +2,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,11.0,1.0,0.06995258042859764,0.06995258042859764,v0,bcc,16.0152 +3,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,13.0,1.0,0.005593689401417158,0.005593689401417158,v0,bcc,16.0049 +4,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,15.0,1.0,0.0031541210294628217,-0.0031541210294628217,v0,bcc,16.0035 +5,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,17.0,1.0,0.009967594616868244,0.009967594616868244,v0,bcc,16.0056 +6,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,19.0,1.0,0.005028651836075203,-0.005028651836075203,v0,bcc,16.0032 +7,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,21.0,1.0,0.003719158594804776,0.003719158594804776,v0,bcc,16.0046 +8,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,23.0,1.0,0.006218533003621286,0.006218533003621286,v0,bcc,16.005 +9,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,25.0,1.0,0.0012795902228504405,-0.0012795902228504405,v0,bcc,16.0038 +10,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,27.0,1.0,0.002469471390396522,0.002469471390396522,v0,bcc,16.0044 +11,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,29.0,1.0,0.0005949405837841402,0.0005949405837841402,v0,bcc,16.0041 +12,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,31.0,1.0,0.0005949405837841402,0.0005949405837841402,v0,bcc,16.0041 +13,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,33.0,1.0,0.0005949405837841402,0.0005949405837841402,v0,bcc,16.0041 +14,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,35.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +15,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,37.0,1.0,0.0005949405837841402,0.0005949405837841402,v0,bcc,16.0041 +16,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,39.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +17,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,41.0,1.0,0.0005949405837841402,0.0005949405837841402,v0,bcc,16.0041 +18,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,43.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +19,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,45.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +20,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,47.0,1.0,0.0006547466206241143,-0.0006547466206241143,v0,bcc,16.0039 +21,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,49.0,1.0,0.0005949405837841402,0.0005949405837841402,v0,bcc,16.0041 +22,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,51.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +23,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,53.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +24,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,55.0,1.0,0.0005949405837841402,0.0005949405837841402,v0,bcc,16.0041 +25,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,57.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +26,Tetra,allKp,DMol3,Mo,PBE,16.0040047856805,2.34691766247531e-05,59.0,1.0,2.9903018419986963e-05,-2.9903018419986963e-05,v0,bcc,16.004 +0,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,7.0,1.0,1.3073536092277462,1.3073536092277462,dB,bcc,4.586201 +1,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,9.0,1.0,0.4373104653257204,0.4373104653257204,dB,bcc,4.546814 +2,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,11.0,1.0,1.400699027010765,-1.400699027010765,dB,bcc,4.463607 +3,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,13.0,1.0,0.4229301345901841,0.4229301345901841,dB,bcc,4.546163 +4,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,15.0,1.0,0.25396677084817576,0.25396677084817576,dB,bcc,4.538514 +5,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,17.0,1.0,0.16390222534840804,-0.16390222534840804,dB,bcc,4.519597 +6,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,19.0,1.0,0.4554460283577604,0.4554460283577604,dB,bcc,4.547635 +7,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,21.0,1.0,0.08239159491201307,-0.08239159491201307,dB,bcc,4.523287 +8,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,23.0,1.0,0.2021614155694961,-0.2021614155694961,dB,bcc,4.5178650000000005 +9,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,25.0,1.0,0.053879158248459534,0.053879158248459534,dB,bcc,4.529456 +10,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,27.0,1.0,0.005320974426211596,-0.005320974426211596,dB,bcc,4.526776 +11,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,29.0,1.0,0.026747888118197574,-0.026747888118197574,dB,bcc,4.525805999999998 +12,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,31.0,1.0,0.011732198120383787,0.011732198120383787,dB,bcc,4.527548 +13,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,33.0,1.0,0.019220573111721883,0.019220573111721883,dB,bcc,4.5278870000000015 +14,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,35.0,1.0,0.04265764056240458,0.04265764056240458,dB,bcc,4.5289480000000015 +15,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,37.0,1.0,0.007353217786675308,-0.007353217786675308,dB,bcc,4.5266839999999995 +16,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,39.0,1.0,0.009965029980829652,0.009965029980829652,dB,bcc,4.527468 +17,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,41.0,1.0,0.0019191757575875426,-0.0019191757575875426,dB,bcc,4.52693 +18,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,43.0,1.0,0.00428276314422256,-0.00428276314422256,dB,bcc,4.526823 +19,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,45.0,1.0,0.025206855184395784,0.025206855184395784,dB,bcc,4.528158 +20,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,47.0,1.0,0.07362726220786125,0.07362726220786125,dB,bcc,4.53035 +21,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,49.0,1.0,0.004067106315105985,0.004067106315105985,dB,bcc,4.527201 +22,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,51.0,1.0,0.016017580858765288,0.016017580858765288,dB,bcc,4.527742 +23,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,53.0,1.0,0.02642178328032453,0.02642178328032453,dB,bcc,4.528213 +24,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,55.0,1.0,0.004067106315105985,0.004067106315105985,dB,bcc,4.527201 +25,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,57.0,1.0,0.0009251436790932463,-0.0009251436790932463,dB,bcc,4.526975 +26,Tetra,allKp,DMol3,Mo,PBE,4.52701688141053,0.000337860028275711,59.0,1.0,0.002454565387783437,0.002454565387783437,dB,bcc,4.527128 +0,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,7.0,1.0,0.7818161401908149,-0.7818161401908149,B,fcc,234.872067 +1,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,9.0,1.0,0.915982268142478,0.915982268142478,B,fcc,238.89114300000003 +2,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,11.0,1.0,1.3154951851214804,-1.3154951851214804,B,fcc,233.60872700000002 +3,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,13.0,1.0,0.17922358241662215,-0.17922358241662215,B,fcc,236.29854100000003 +4,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,15.0,1.0,0.26565751133726845,0.26565751133726845,B,fcc,237.35167599999997 +5,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,17.0,1.0,0.08143360368432556,0.08143360368432556,B,fcc,236.915576 +6,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,19.0,1.0,0.08882410417593938,0.08882410417593938,B,fcc,236.93307099999998 +7,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,21.0,1.0,0.048119609906175635,-0.048119609906175635,B,fcc,236.608894 +8,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,23.0,1.0,0.03981876196904515,-0.03981876196904515,B,fcc,236.628544 +9,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,25.0,1.0,0.0919598392516231,0.0919598392516231,B,fcc,236.940494 +10,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,27.0,1.0,0.0490150961835206,0.0490150961835206,B,fcc,236.838834 +11,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,29.0,1.0,0.06158464989187225,0.06158464989187225,B,fcc,236.86858900000001 +12,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,31.0,1.0,0.020554035794763763,-0.020554035794763763,B,fcc,236.674148 +13,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,33.0,1.0,0.03177721318492751,0.03177721318492751,B,fcc,236.798028 +14,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,35.0,1.0,0.06826376982744463,0.06826376982744463,B,fcc,236.8844 +15,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,37.0,1.0,0.037092788852584636,-0.037092788852584636,B,fcc,236.63499700000003 +16,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,39.0,1.0,0.04113034673077618,0.04113034673077618,B,fcc,236.820169 +17,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,41.0,1.0,0.04050049613158292,0.04050049613158292,B,fcc,236.81867799999998 +18,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,43.0,1.0,0.019687621590222616,-0.019687621590222616,B,fcc,236.67619900000003 +19,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,45.0,1.0,0.031329432074835184,0.031329432074835184,B,fcc,236.79696800000002 +20,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,47.0,1.0,0.010712491435075184,0.010712491435075184,B,fcc,236.74816299999998 +21,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,49.0,1.0,0.0011228702267303491,-0.0011228702267303491,B,fcc,236.720146 +22,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,51.0,1.0,0.020239668204840102,0.020239668204840102,B,fcc,236.77071600000002 +23,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,53.0,1.0,0.0021629052201792877,-0.0021629052201792877,B,fcc,236.717684 +24,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,55.0,1.0,0.01193628565765888,0.01193628565765888,B,fcc,236.75106 +25,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,57.0,1.0,0.0054573999166110995,0.0054573999166110995,B,fcc,236.735723 +26,Tetra,allKp,DMol3,Mo,PBE,236.722804089887,0.0113360760198147,59.0,1.0,0.002762686990860403,0.002762686990860403,B,fcc,236.729344 +0,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,7.0,1.0,0.3632830110127931,0.3632830110127931,E0,fcc,-5.721435 +1,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,9.0,1.0,0.265769102306668,0.265769102306668,E0,fcc,-5.7158760000000015 +2,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,11.0,1.0,0.012616530211207632,-0.012616530211207632,E0,fcc,-5.700006 +3,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,13.0,1.0,0.07824910157471053,0.07824910157471053,E0,fcc,-5.705186 +4,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,15.0,1.0,0.03571065426179643,0.03571065426179643,E0,fcc,-5.702761 +5,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,17.0,1.0,0.020414354856920787,0.020414354856920787,E0,fcc,-5.7018889999999995 +6,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,19.0,1.0,0.026378508294598656,0.026378508294598656,E0,fcc,-5.702229 +7,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,21.0,1.0,0.009696420296842277,0.009696420296842277,E0,fcc,-5.701278 +8,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,23.0,1.0,0.011625999350200398,0.011625999350200398,E0,fcc,-5.701388 +9,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,25.0,1.0,0.011608457722455627,0.011608457722455627,E0,fcc,-5.701387 +10,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,27.0,1.0,0.0063985942783481905,0.0063985942783481905,E0,fcc,-5.70109 +11,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,29.0,1.0,0.008784255653428687,0.008784255653428687,E0,fcc,-5.701226 +12,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,31.0,1.0,0.0043637654584435465,0.0043637654584435465,E0,fcc,-5.7009739999999995 +13,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,33.0,1.0,0.004048016158788396,0.004048016158788396,E0,fcc,-5.700956 +14,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,35.0,1.0,0.005346096612882958,0.005346096612882958,E0,fcc,-5.70103 +15,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,37.0,1.0,0.002223686871945638,0.002223686871945638,E0,fcc,-5.700851999999999 +16,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,39.0,1.0,0.0034516008150299576,0.0034516008150299576,E0,fcc,-5.700922 +17,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,41.0,1.0,0.003083226632109336,0.003083226632109336,E0,fcc,-5.700901 +18,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,43.0,1.0,0.001486938506135555,0.001486938506135555,E0,fcc,-5.70081 +19,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,45.0,1.0,0.0023289366385233217,0.0023289366385233217,E0,fcc,-5.700858 +20,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,47.0,1.0,0.001767604550270004,0.001767604550270004,E0,fcc,-5.700826 +21,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,49.0,1.0,0.00132906385632356,0.00132906385632356,E0,fcc,-5.700801 +22,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,51.0,1.0,0.0016448131559631302,0.0016448131559631302,E0,fcc,-5.700819 +23,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,53.0,1.0,0.0009606896734029383,0.0009606896734029383,E0,fcc,-5.70078 +24,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,55.0,1.0,0.0010308561844287606,0.0010308561844287606,E0,fcc,-5.700784 +25,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,57.0,1.0,0.0009782313011632892,0.0009782313011632892,E0,fcc,-5.700781 +26,Tetra,allKp,DMol3,Mo,PBE,-5.7007252337213705,6.62243380766543e-06,59.0,1.0,0.0007677317680702423,0.0007677317680702423,E0,fcc,-5.700769 +0,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,7.0,1.0,0.1392960369713465,0.1392960369713465,v0,fcc,16.1932 +1,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,9.0,1.0,0.20453624198869808,-0.20453624198869808,v0,fcc,16.1376 +2,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,11.0,1.0,0.023962455196741717,-0.023962455196741717,v0,fcc,16.1668 +3,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,13.0,1.0,0.04684338023543956,-0.04684338023543956,v0,fcc,16.1631 +4,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,15.0,1.0,0.027983428674928704,0.027983428674928704,v0,fcc,16.1752 +5,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,17.0,1.0,0.01283119436708236,-0.01283119436708236,v0,fcc,16.1686 +6,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,19.0,1.0,0.03694892616464834,-0.03694892616464834,v0,fcc,16.1647 +7,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,21.0,1.0,0.0020104867390934953,0.0020104867390934953,v0,fcc,16.171 +8,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,23.0,1.0,0.0026288901185165733,0.0026288901185165733,v0,fcc,16.1711 +9,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,25.0,1.0,0.00417354705513729,-0.00417354705513729,v0,fcc,16.17 +10,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,27.0,1.0,0.01283119436708236,-0.01283119436708236,v0,fcc,16.1686 +11,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,29.0,1.0,0.0038656968773627303,0.0038656968773627303,v0,fcc,16.1713 +12,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,31.0,1.0,0.002936740296291133,-0.002936740296291133,v0,fcc,16.1702 +13,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,33.0,1.0,0.004791950434582339,-0.004791950434582339,v0,fcc,16.1699 +14,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,35.0,1.0,0.0020104867390934953,0.0020104867390934953,v0,fcc,16.171 +15,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,37.0,1.0,0.002936740296291133,-0.002936740296291133,v0,fcc,16.1702 +16,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,39.0,1.0,0.0035551436757142118,-0.0035551436757142118,v0,fcc,16.1701 +17,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,41.0,1.0,0.0020104867390934953,0.0020104867390934953,v0,fcc,16.171 +18,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,43.0,1.0,0.002936740296291133,-0.002936740296291133,v0,fcc,16.1702 +19,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,45.0,1.0,0.0010815301580218977,-0.0010815301580218977,v0,fcc,16.1705 +20,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,47.0,1.0,0.00015527660082425947,0.00015527660082425947,v0,fcc,16.1707 +21,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,49.0,1.0,0.0023183369168680553,-0.0023183369168680553,v0,fcc,16.1703 +22,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,51.0,1.0,0.0007736799802473379,0.0007736799802473379,v0,fcc,16.1708 +23,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,53.0,1.0,0.0010815301580218977,-0.0010815301580218977,v0,fcc,16.1705 +24,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,55.0,1.0,0.00046312677859881916,-0.00046312677859881916,v0,fcc,16.1706 +25,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,57.0,1.0,0.0007736799802473379,0.0007736799802473379,v0,fcc,16.1708 +26,Tetra,allKp,DMol3,Mo,PBE,16.1706748907257,8.362522805005799e-05,59.0,1.0,0.0010815301580218977,-0.0010815301580218977,v0,fcc,16.1705 +0,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,7.0,1.0,32.46443776063369,-32.46443776063369,dB,fcc,2.896055 +1,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,9.0,1.0,6.943470123020461,6.943470123020461,dB,fcc,4.585942 +2,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,11.0,1.0,1.6815855179427737,-1.6815855179427737,dB,fcc,4.216083 +3,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,13.0,1.0,0.15872948761277453,-0.15872948761277453,dB,fcc,4.281386 +4,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,15.0,1.0,0.5990082168079215,-0.5990082168079215,dB,fcc,4.262506 +5,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,17.0,1.0,0.8076042566728809,-0.8076042566728809,dB,fcc,4.253561 +6,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,19.0,1.0,1.3049174487857262,1.3049174487857262,dB,fcc,4.34415 +7,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,21.0,1.0,0.3906394902674658,0.3906394902674658,dB,fcc,4.304944 +8,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,23.0,1.0,0.5884443256889854,-0.5884443256889854,dB,fcc,4.2629589999999995 +9,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,25.0,1.0,0.1817869320751206,0.1817869320751206,dB,fcc,4.2959879999999995 +10,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,27.0,1.0,0.7875899419814715,0.7875899419814715,dB,fcc,4.3219660000000015 +11,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,29.0,1.0,0.4381479056856799,-0.4381479056856799,dB,fcc,4.269404 +12,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,31.0,1.0,0.2354692220437082,0.2354692220437082,dB,fcc,4.29829 +13,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,33.0,1.0,0.006444995379231229,0.006444995379231229,dB,fcc,4.288469 +14,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,35.0,1.0,0.1492849491951935,-0.1492849491951935,dB,fcc,4.281791 +15,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,37.0,1.0,0.2049435410841509,0.2049435410841509,dB,fcc,4.296981 +16,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,39.0,1.0,0.15170432822651156,0.15170432822651156,dB,fcc,4.294698 +17,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,41.0,1.0,0.19725387641734912,-0.19725387641734912,dB,fcc,4.2797339999999995 +18,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,43.0,1.0,0.16947405236033924,0.16947405236033924,dB,fcc,4.29546 +19,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,45.0,1.0,0.003955656804090135,-0.003955656804090135,dB,fcc,4.288023 +20,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,47.0,1.0,0.08960945830481956,-0.08960945830481956,dB,fcc,4.28435 +21,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,49.0,1.0,0.13454092013924687,0.13454092013924687,dB,fcc,4.2939620000000005 +22,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,51.0,1.0,0.12766745015049796,-0.12766745015049796,dB,fcc,4.282718 +23,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,53.0,1.0,0.03424225412925503,0.03424225412925503,dB,fcc,4.289661 +24,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,55.0,1.0,0.010391934836804036,-0.010391934836804036,dB,fcc,4.287747 +25,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,57.0,1.0,0.0786024900749352,-0.0786024900749352,dB,fcc,4.284822 +26,Tetra,allKp,DMol3,Mo,PBE,4.28819262618339,0.0017626762091053898,59.0,1.0,0.07115757342565114,0.07115757342565114,dB,fcc,4.291244 +0,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,7.0,1.0,0.16133641713476787,-0.16133641713476787,B,bcc,171.45519 +1,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,9.0,1.0,0.5615429207788356,0.5615429207788356,B,bcc,172.696607 +2,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,11.0,1.0,0.10107671871892754,0.10107671871892754,B,bcc,171.905838 +3,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,13.0,1.0,0.6820667780701236,-0.6820667780701236,B,bcc,170.560928 +4,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,15.0,1.0,0.017542033516676492,0.017542033516676492,B,bcc,171.762382 +5,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,17.0,1.0,0.10334556443701724,-0.10334556443701724,B,bcc,171.554779 +6,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,19.0,1.0,0.0419692091477433,-0.0419692091477433,B,bcc,171.66018200000005 +7,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,21.0,1.0,0.05453702862357202,-0.05453702862357202,B,bcc,171.638599 +8,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,23.0,1.0,0.0614716606088075,-0.0614716606088075,B,bcc,171.62669 +9,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,25.0,1.0,0.006308465390309535,-0.006308465390309535,B,bcc,171.721423 +10,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,27.0,1.0,0.023409504280408253,-0.023409504280408253,B,bcc,171.692055 +11,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,29.0,1.0,0.0034386842277298675,0.0034386842277298675,B,bcc,171.73816200000005 +12,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,31.0,1.0,0.03329990013809854,-0.03329990013809854,B,bcc,171.67507 +13,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,33.0,1.0,0.01071745656924862,0.01071745656924862,B,bcc,171.750662 +14,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,35.0,1.0,0.009334687779018084,-0.009334687779018084,B,bcc,171.716226 +15,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,37.0,1.0,0.005448987952205635,-0.005448987952205635,B,bcc,171.722899 +16,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,39.0,1.0,0.010448048796382873,-0.010448048796382873,B,bcc,171.714314 +17,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,41.0,1.0,0.005631248411641082,-0.005631248411641082,B,bcc,171.722586 +18,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,43.0,1.0,0.0006380105853554763,-0.0006380105853554763,B,bcc,171.73116100000001 +19,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,45.0,1.0,0.007347291778886516,-0.007347291778886516,B,bcc,171.719639 +20,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,47.0,1.0,0.009985701177256943,-0.009985701177256943,B,bcc,171.71510800000001 +21,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,49.0,1.0,0.0028552178368320266,0.0028552178368320266,B,bcc,171.73716000000005 +22,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,51.0,1.0,0.004849799413056658,-0.004849799413056658,B,bcc,171.723928 +23,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,53.0,1.0,0.0109010795869186,-0.0109010795869186,B,bcc,171.713536 +24,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,55.0,1.0,0.002466822544658402,0.002466822544658402,B,bcc,171.736493 +25,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,57.0,1.0,0.003395209548321304,-0.003395209548321304,B,bcc,171.726426 +26,Tetra,allKp,DMol3,Nb,PBE,171.732256669976,0.00350219857729355,59.0,1.0,0.0011230679741958786,-0.0011230679741958786,B,bcc,171.73032800000001 +0,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,7.0,2.0,0.8222532427498149,0.8222532427498149,E0,bcc,-7.018855 +1,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,9.0,2.0,0.18141037252112693,0.18141037252112693,E0,bcc,-6.974241999999999 +2,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,11.0,2.0,0.10119907564901363,0.10119907564901363,E0,bcc,-6.9686580000000005 +3,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,13.0,2.0,0.04917090278530142,0.04917090278530142,E0,bcc,-6.9650360000000004 +4,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,15.0,2.0,0.01715246067787912,0.01715246067787912,E0,bcc,-6.9628070000000015 +5,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,17.0,2.0,0.011248656413104992,0.011248656413104992,E0,bcc,-6.962396000000001 +6,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,19.0,2.0,0.0025006836703871087,0.0025006836703871087,E0,bcc,-6.9617869999999975 +7,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,21.0,2.0,2.999186130007483e-05,2.999186130007483e-05,E0,bcc,-6.961614999999999 +8,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,23.0,2.0,7.055954952388457e-05,-7.055954952388457e-05,E0,bcc,-6.961608 +9,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,25.0,2.0,0.0006595035272799794,-0.0006595035272799794,E0,bcc,-6.961567 +10,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,27.0,2.0,0.00037221378203403734,-0.00037221378203403734,E0,bcc,-6.961587 +11,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,29.0,2.0,0.00041530724383942815,-0.00041530724383942815,E0,bcc,-6.9615839999999976 +12,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,31.0,2.0,0.0006882325018211593,-0.0006882325018211593,E0,bcc,-6.9615649999999984 +13,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,33.0,2.0,8.492403677533717e-05,-8.492403677533717e-05,E0,bcc,-6.961607000000001 +14,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,35.0,2.0,0.00035784929475706834,-0.00035784929475706834,E0,bcc,-6.961588000000001 +15,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,37.0,2.0,0.00025729788393310897,-0.00025729788393310897,E0,bcc,-6.961595 +16,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,39.0,2.0,0.00027166237119731983,-0.00027166237119731983,E0,bcc,-6.961594 +17,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,41.0,2.0,0.00021420442214047648,-0.00021420442214047648,E0,bcc,-6.9615979999999995 +18,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,43.0,2.0,0.00011365301130375884,-0.00011365301130375884,E0,bcc,-6.9616050000000005 +19,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,45.0,2.0,0.000185475447624813,-0.000185475447624813,E0,bcc,-6.9616 +20,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,47.0,2.0,0.0001711109603733604,-0.0001711109603733604,E0,bcc,-6.961600999999999 +21,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,49.0,2.0,1.3101600479799452e-05,-1.3101600479799452e-05,E0,bcc,-6.961612 +22,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,51.0,2.0,0.00011365301130375884,-0.00011365301130375884,E0,bcc,-6.9616050000000005 +23,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,53.0,2.0,0.0001998399348762656,-0.0001998399348762656,E0,bcc,-6.9615990000000005 +24,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,55.0,2.0,1.2628868099278404e-06,1.2628868099278404e-06,E0,bcc,-6.9616130000000025 +25,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,57.0,2.0,0.00012801749856796967,-0.00012801749856796967,E0,bcc,-6.9616039999999995 +26,Tetra,allKp,DMol3,Nb,PBE,-6.96161291208271,2.86757661187667e-06,59.0,2.0,8.492403677533717e-05,-8.492403677533717e-05,E0,bcc,-6.961607000000001 +0,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,7.0,1.0,0.9729498366588984,-0.9729498366588984,v0,bcc,18.0593 +1,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,9.0,1.0,0.3204207259271664,-0.3204207259271664,v0,bcc,18.1783 +2,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,11.0,1.0,0.005843829438699595,0.005843829438699595,v0,bcc,18.2378 +3,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,13.0,1.0,0.10766333520119832,-0.10766333520119832,v0,bcc,18.2171 +4,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,15.0,1.0,0.009682235972406729,0.009682235972406729,v0,bcc,18.2385 +5,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,17.0,1.0,0.03528195485111709,-0.03528195485111709,v0,bcc,18.2303 +6,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,19.0,1.0,0.002005422904992463,0.002005422904992463,v0,bcc,18.2371 +7,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,21.0,1.0,0.007864765324579125,-0.007864765324579125,v0,bcc,18.2353 +8,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,23.0,1.0,0.002381327419263741,-0.002381327419263741,v0,bcc,18.2363 +9,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,25.0,1.0,0.0012846398382045602,-0.0012846398382045602,v0,bcc,18.2365 +10,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,27.0,1.0,0.004026358790852512,-0.004026358790852512,v0,bcc,18.236 +11,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,29.0,1.0,0.0009087353239138012,0.0009087353239138012,v0,bcc,18.2369 +12,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,31.0,1.0,0.0007362960476749699,-0.0007362960476749699,v0,bcc,18.2366 +13,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,33.0,1.0,0.0007362960476749699,-0.0007362960476749699,v0,bcc,18.2366 +14,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,35.0,1.0,0.0012846398382045602,-0.0012846398382045602,v0,bcc,18.2365 +15,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,37.0,1.0,0.0012846398382045602,-0.0012846398382045602,v0,bcc,18.2365 +16,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,39.0,1.0,0.0007362960476749699,-0.0007362960476749699,v0,bcc,18.2366 +17,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,41.0,1.0,0.00036039153338421077,0.00036039153338421077,v0,bcc,18.2368 +18,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,43.0,1.0,0.0007362960476749699,-0.0007362960476749699,v0,bcc,18.2366 +19,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,45.0,1.0,0.00036039153338421077,0.00036039153338421077,v0,bcc,18.2368 +20,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,47.0,1.0,0.0007362960476749699,-0.0007362960476749699,v0,bcc,18.2366 +21,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,49.0,1.0,0.00018795225714537955,-0.00018795225714537955,v0,bcc,18.2367 +22,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,51.0,1.0,0.00036039153338421077,0.00036039153338421077,v0,bcc,18.2368 +23,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,53.0,1.0,0.00018795225714537955,-0.00018795225714537955,v0,bcc,18.2367 +24,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,55.0,1.0,0.00018795225714537955,-0.00018795225714537955,v0,bcc,18.2367 +25,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,57.0,1.0,0.00018795225714537955,-0.00018795225714537955,v0,bcc,18.2367 +26,Tetra,allKp,DMol3,Nb,PBE,18.2367342763537,2.3662434471704604e-05,59.0,1.0,0.00018795225714537955,-0.00018795225714537955,v0,bcc,18.2367 +0,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,7.0,1.0,16.29521895238696,16.29521895238696,dB,bcc,3.966156 +1,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,9.0,1.0,2.488739706310428,2.488739706310428,dB,bcc,3.4952970000000003 +2,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,11.0,1.0,4.2511916096528655,-4.2511916096528655,dB,bcc,3.265437 +3,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,13.0,1.0,0.36926562461686135,-0.36926562461686135,dB,bcc,3.3978269999999995 +4,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,15.0,1.0,1.4013377661781228,-1.4013377661781228,dB,bcc,3.362629 +5,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,17.0,1.0,0.4626552458978592,0.4626552458978592,dB,bcc,3.426199 +6,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,19.0,1.0,0.258516818472257,-0.258516818472257,dB,bcc,3.4016040000000003 +7,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,21.0,1.0,0.16814610930370052,0.16814610930370052,dB,bcc,3.4161550000000003 +8,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,23.0,1.0,0.16741368352621278,-0.16741368352621278,dB,bcc,3.4047110000000003 +9,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,25.0,1.0,0.12489693242491227,-0.12489693242491227,dB,bcc,3.406161 +10,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,27.0,1.0,0.03789824144713876,0.03789824144713876,dB,bcc,3.4117129999999998 +11,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,29.0,1.0,0.1991399764169896,-0.1991399764169896,dB,bcc,3.403629 +12,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,31.0,1.0,0.09103014103042777,-0.09103014103042777,dB,bcc,3.4073160000000002 +13,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,33.0,1.0,0.10114619560280268,-0.10114619560280268,dB,bcc,3.406971 +14,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,35.0,1.0,0.0135610666788004,0.0135610666788004,dB,bcc,3.410883 +15,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,37.0,1.0,0.01822387000659406,-0.01822387000659406,dB,bcc,3.4097989999999996 +16,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,39.0,1.0,0.007638665077238694,-0.007638665077238694,dB,bcc,3.41016 +17,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,41.0,1.0,0.1369482322198396,-0.1369482322198396,dB,bcc,3.40575 +18,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,43.0,1.0,0.023501811522614068,-0.023501811522614068,dB,bcc,3.409619 +19,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,45.0,1.0,0.047223226447421315,-0.047223226447421315,dB,bcc,3.40881 +20,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,47.0,1.0,0.024439490581270158,0.024439490581270158,dB,bcc,3.411254 +21,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,49.0,1.0,0.07906680692743344,-0.07906680692743344,dB,bcc,3.407724 +22,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,51.0,1.0,0.06367281083902547,-0.06367281083902547,dB,bcc,3.4082489999999996 +23,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,53.0,1.0,0.003093770993985135,-0.003093770993985135,dB,bcc,3.410315 +24,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,55.0,1.0,0.008723575277737206,-0.008723575277737206,dB,bcc,3.4101230000000005 +25,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,57.0,1.0,0.011743730700814152,-0.011743730700814152,dB,bcc,3.41002 +26,Tetra,allKp,DMol3,Nb,PBE,3.41042051060053,0.00041152566029754,59.0,1.0,0.013942872999152568,-0.013942872999152568,dB,bcc,3.4099449999999996 +0,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,7.0,1.0,2.05958642089713,2.05958642089713,B,fcc,166.410116 +1,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,9.0,1.0,0.0384784063202868,-0.0384784063202868,B,fcc,162.989181 +2,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,11.0,1.0,1.0432344325952059,-1.0432344325952059,B,fcc,161.350907 +3,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,13.0,1.0,1.0499006765535623,1.0499006765535623,B,fcc,164.763804 +4,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,15.0,1.0,0.7432821243619725,-0.7432821243619725,B,fcc,161.839985 +5,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,17.0,1.0,0.2472661576011357,0.2472661576011357,B,fcc,163.455093 +6,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,19.0,1.0,0.08488816318652112,-0.08488816318652112,B,fcc,162.913509 +7,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,21.0,1.0,0.2498018904905069,-0.2498018904905069,B,fcc,162.644614 +8,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,23.0,1.0,0.13002129529911755,0.13002129529911755,B,fcc,163.263923 +9,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,25.0,1.0,0.020986087894700845,0.020986087894700845,B,fcc,163.086139 +10,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,27.0,1.0,0.07152432184342955,-0.07152432184342955,B,fcc,162.935299 +11,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,29.0,1.0,0.029794325130575918,0.029794325130575918,B,fcc,163.100501 +12,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,31.0,1.0,0.012086199596234557,-0.012086199596234557,B,fcc,163.03221399999995 +13,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,33.0,1.0,0.019801802551288786,0.019801802551288786,B,fcc,163.08420800000005 +14,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,35.0,1.0,0.002833932019237561,-0.002833932019237561,B,fcc,163.0473 +15,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,37.0,1.0,0.02440988146628106,-0.02440988146628106,B,fcc,163.01211999999995 +16,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,39.0,1.0,0.019417262463054724,0.019417262463054724,B,fcc,163.083581 +17,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,41.0,1.0,0.0052258081660164594,-0.0052258081660164594,B,fcc,163.0434 +18,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,43.0,1.0,0.003984754903771944,0.003984754903771944,B,fcc,163.058418 +19,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,45.0,1.0,0.00078025416867985,0.00078025416867985,B,fcc,163.053193 +20,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,47.0,1.0,0.0027627890364158875,-0.0027627890364158875,B,fcc,163.047416 +21,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,49.0,1.0,0.003346307963065655,0.003346307963065655,B,fcc,163.057377 +22,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,51.0,1.0,0.0032552702020489824,-0.0032552702020489824,B,fcc,163.04661299999995 +23,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,53.0,1.0,0.0012510006513420146,-0.0012510006513420146,B,fcc,163.049881 +24,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,55.0,1.0,0.004344762928954429,0.004344762928954429,B,fcc,163.059005 +25,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,57.0,1.0,0.005398759210474274,-0.005398759210474274,B,fcc,163.043118 +26,Tetra,allKp,DMol3,Nb,PBE,163.051920780591,0.00393807993192886,59.0,1.0,0.0018872635135422067,0.0018872635135422067,B,fcc,163.054998 +0,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,7.0,1.0,0.28622119599935564,0.28622119599935564,E0,fcc,-6.652647999999999 +1,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,9.0,1.0,0.07929172094562623,0.07929172094562623,E0,fcc,-6.6389210000000025 +2,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,11.0,1.0,0.014455728215489263,0.014455728215489263,E0,fcc,-6.63462 +3,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,13.0,1.0,0.02856558387586756,0.02856558387586756,E0,fcc,-6.635555999999999 +4,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,15.0,1.0,0.013959953322813676,-0.013959953322813676,E0,fcc,-6.632735 +5,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,17.0,1.0,0.00988811468440213,0.00988811468440213,E0,fcc,-6.634317 +6,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,19.0,1.0,0.0003324858901284928,-0.0003324858901284928,E0,fcc,-6.633639 +7,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,21.0,1.0,0.004116218551190889,-0.004116218551190889,E0,fcc,-6.633388 +8,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,23.0,1.0,0.0019287089272515816,0.0019287089272515816,E0,fcc,-6.633789 +9,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,25.0,1.0,2.930528066142366e-05,2.930528066142366e-05,E0,fcc,-6.633663 +10,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,27.0,1.0,0.0006792024287871001,-0.0006792024287871001,E0,fcc,-6.633616 +11,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,29.0,1.0,0.0003324858901284928,-0.0003324858901284928,E0,fcc,-6.633639 +12,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,31.0,1.0,0.00030233662587926346,-0.00030233662587926346,E0,fcc,-6.633641000000001 +13,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,33.0,1.0,0.00016497696969592696,0.00016497696969592696,E0,fcc,-6.633672 +14,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,35.0,1.0,0.0002872619937747324,-0.0002872619937747324,E0,fcc,-6.633642 +15,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,37.0,1.0,0.00043800831492715584,-0.00043800831492715584,E0,fcc,-6.633632 +16,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,39.0,1.0,2.930528066142366e-05,2.930528066142366e-05,E0,fcc,-6.633663 +17,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,41.0,1.0,0.00016666493684476018,-0.00016666493684476018,E0,fcc,-6.63365 +18,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,43.0,1.0,0.0001515903047268401,-0.0001515903047268401,E0,fcc,-6.6336509999999995 +19,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,45.0,1.0,0.00012144104050438877,-0.00012144104050438877,E0,fcc,-6.633653 +20,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,47.0,1.0,0.00010636640839985756,-0.00010636640839985756,E0,fcc,-6.633653999999999 +21,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,49.0,1.0,4.606787991478807e-05,-4.606787991478807e-05,E0,fcc,-6.6336580000000005 +22,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,51.0,1.0,0.00010636640839985756,-0.00010636640839985756,E0,fcc,-6.633653999999999 +23,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,53.0,1.0,7.621714417740628e-05,-7.621714417740628e-05,E0,fcc,-6.6336559999999976 +24,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,55.0,1.0,2.930528066142366e-05,2.930528066142366e-05,E0,fcc,-6.633663 +25,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,57.0,1.0,7.621714417740628e-05,-7.621714417740628e-05,E0,fcc,-6.6336559999999976 +26,Tetra,allKp,DMol3,Nb,PBE,-6.63366105598701,2.05061605409914e-06,59.0,1.0,3.099324781025689e-05,-3.099324781025689e-05,E0,fcc,-6.633659 +0,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,7.0,1.0,0.34832168292239635,-0.34832168292239635,v0,fcc,18.8142 +1,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,9.0,1.0,0.02509006572245084,0.02509006572245084,v0,fcc,18.8847 +2,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,11.0,1.0,0.16188063962737986,-0.16188063962737986,v0,fcc,18.8494 +3,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,13.0,1.0,0.02985702421579708,0.02985702421579708,v0,fcc,18.8856 +4,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,15.0,1.0,0.015026486680963015,0.015026486680963015,v0,fcc,18.8828 +5,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,17.0,1.0,0.020990533046493832,-0.020990533046493832,v0,fcc,18.876 +6,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,19.0,1.0,0.026679051886912133,0.026679051886912133,v0,fcc,18.885 +7,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,21.0,1.0,0.010259528187635591,0.010259528187635591,v0,fcc,18.8819 +8,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,23.0,1.0,0.00721931962128808,-0.00721931962128808,v0,fcc,18.8786 +9,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,25.0,1.0,0.012378176406892226,0.012378176406892226,v0,fcc,18.8823 +10,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,27.0,1.0,0.002452361127941839,-0.002452361127941839,v0,fcc,18.8795 +11,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,29.0,1.0,0.0001959491461289524,0.0001959491461289524,v0,fcc,18.88 +12,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,31.0,1.0,0.010259528187635591,0.010259528187635591,v0,fcc,18.8819 +13,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,33.0,1.0,0.0008633749634993641,-0.0008633749634993641,v0,fcc,18.8798 +14,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,35.0,1.0,0.002844259420218561,0.002844259420218561,v0,fcc,18.8805 +15,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,37.0,1.0,0.002314597365404403,0.002314597365404403,v0,fcc,18.8804 +16,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,39.0,1.0,0.0012552732557572688,0.0012552732557572688,v0,fcc,18.8802 +17,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,41.0,1.0,0.002844259420218561,0.002844259420218561,v0,fcc,18.8805 +18,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,43.0,1.0,0.0008633749634993641,-0.0008633749634993641,v0,fcc,18.8798 +19,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,45.0,1.0,0.002844259420218561,0.002844259420218561,v0,fcc,18.8805 +20,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,47.0,1.0,0.002314597365404403,0.002314597365404403,v0,fcc,18.8804 +21,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,49.0,1.0,0.00033371290868520586,-0.00033371290868520586,v0,fcc,18.8799 +22,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,51.0,1.0,0.0012552732557572688,0.0012552732557572688,v0,fcc,18.8802 +23,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,53.0,1.0,0.0012552732557572688,0.0012552732557572688,v0,fcc,18.8802 +24,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,55.0,1.0,0.0012552732557572688,0.0012552732557572688,v0,fcc,18.8802 +25,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,57.0,1.0,0.0012552732557572688,0.0012552732557572688,v0,fcc,18.8802 +26,Tetra,allKp,DMol3,Nb,PBE,18.8799630048737,8.4526857162652e-05,59.0,1.0,0.00033371290868520586,-0.00033371290868520586,v0,fcc,18.8799 +0,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,7.0,1.0,3.924089579323793,3.924089579323793,dB,fcc,4.400511 +1,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,9.0,1.0,3.0508271194924954,3.0508271194924954,dB,fcc,4.363534 +2,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,11.0,1.0,1.8193640190225195,-1.8193640190225195,dB,fcc,4.157312999999999 +3,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,13.0,1.0,0.04127519346816782,0.04127519346816782,dB,fcc,4.236098999999999 +4,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,15.0,1.0,2.3572268127228275,-2.3572268127228275,dB,fcc,4.134538 +5,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,17.0,1.0,1.145175108547677,1.145175108547677,dB,fcc,4.282842 +6,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,19.0,1.0,1.7317472917062002,-1.7317472917062002,dB,fcc,4.161023 +7,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,21.0,1.0,0.7272014391118207,-0.7272014391118207,dB,fcc,4.203558999999999 +8,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,23.0,1.0,0.7767833755539715,0.7767833755539715,dB,fcc,4.267243 +9,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,25.0,1.0,0.7092529990146514,-0.7092529990146514,dB,fcc,4.204319 +10,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,27.0,1.0,0.050734178398161696,-0.050734178398161696,dB,fcc,4.232203 +11,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,29.0,1.0,0.3100530839228168,0.3100530839228168,dB,fcc,4.24748 +12,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,31.0,1.0,0.7599573422890571,-0.7599573422890571,dB,fcc,4.202172 +13,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,33.0,1.0,0.09356183343537956,0.09356183343537956,dB,fcc,4.238313 +14,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,35.0,1.0,0.15488236369864625,-0.15488236369864625,dB,fcc,4.227793 +15,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,37.0,1.0,0.182348200320974,-0.182348200320974,dB,fcc,4.22663 +16,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,39.0,1.0,0.006878582002918706,-0.006878582002918706,dB,fcc,4.2340599999999995 +17,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,41.0,1.0,0.2440577713391566,-0.2440577713391566,dB,fcc,4.224017 +18,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,43.0,1.0,0.05251658489746648,0.05251658489746648,dB,fcc,4.236575 +19,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,45.0,1.0,0.2335957200720164,-0.2335957200720164,dB,fcc,4.22446 +20,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,47.0,1.0,0.15051333551710427,-0.15051333551710427,dB,fcc,4.227978 +21,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,49.0,1.0,0.042999188372265996,0.042999188372265996,dB,fcc,4.236172 +22,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,51.0,1.0,0.08415133989479567,-0.08415133989479567,dB,fcc,4.2307879999999995 +23,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,53.0,1.0,0.08816612254811812,-0.08816612254811812,dB,fcc,4.230618 +24,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,55.0,1.0,0.0872450841747096,-0.0872450841747096,dB,fcc,4.230657 +25,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,57.0,1.0,0.1326829772627168,-0.1326829772627168,dB,fcc,4.228733 +26,Tetra,allKp,DMol3,Nb,PBE,4.23435126332394,0.0017977169528519,59.0,1.0,0.054925454489409616,0.054925454489409616,dB,fcc,4.236676999999999 +0,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,7.0,1.0,2.9349060095323978,2.9349060095323978,B,bcc,180.277867 +1,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,9.0,1.0,3.1617503220875816,3.1617503220875816,B,bcc,180.675157 +2,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,11.0,1.0,1.237909681149422,1.237909681149422,B,bcc,177.305786 +3,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,13.0,1.0,1.4508826258644358,1.4508826258644358,B,bcc,177.678782 +4,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,15.0,1.0,0.11221169535215524,0.11221169535215524,B,bcc,175.334264 +5,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,17.0,1.0,44.59068986710171,44.59068986710171,B,bcc,253.232865 +6,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,19.0,1.0,0.5693164888080842,0.5693164888080842,B,bcc,176.134827 +7,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,21.0,1.0,0.4478680784048243,0.4478680784048243,B,bcc,175.922125 +8,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,23.0,1.0,0.3701989245165732,0.3701989245165732,B,bcc,175.78609699999996 +9,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,25.0,1.0,44.096579342967914,44.096579342967914,B,bcc,252.367491 +10,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,27.0,1.0,0.28311375321452265,0.28311375321452265,B,bcc,175.633578 +11,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,29.0,1.0,0.2488047571340357,0.2488047571340357,B,bcc,175.57349 +12,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,31.0,1.0,0.2031766700819985,0.2031766700819985,B,bcc,175.493578 +13,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,33.0,1.0,0.21727129077574628,0.21727129077574628,B,bcc,175.518263 +14,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,35.0,1.0,0.2345125776491132,0.2345125776491132,B,bcc,175.548459 +15,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,37.0,1.0,0.1902291465311788,0.1902291465311788,B,bcc,175.470902 +16,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,39.0,1.0,0.19123178594532694,0.19123178594532694,B,bcc,175.472658 +17,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,41.0,1.0,0.2051431223270436,0.2051431223270436,B,bcc,175.497022 +18,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,43.0,1.0,0.22336706434374484,0.22336706434374484,B,bcc,175.52893899999995 +19,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,45.0,1.0,0.21628292584074155,0.21628292584074155,B,bcc,175.516532 +20,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,47.0,1.0,0.2132161967442966,0.2132161967442966,B,bcc,175.51116100000004 +21,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,49.0,1.0,0.2247294206320225,0.2247294206320225,B,bcc,175.531325 +22,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,51.0,1.0,0.2299818579729924,0.2299818579729924,B,bcc,175.540524 +23,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,53.0,1.0,0.21497595453151389,0.21497595453151389,B,bcc,175.514243 +24,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,55.0,1.0,0.21497595453151389,0.21497595453151389,B,bcc,175.514243 +25,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,57.0,1.0,0.2355066523757721,0.2355066523757721,B,bcc,175.5502 +26,Tetra,allKp,DMol3,Ni,PBE,175.13773897389595,0.407280290669135,59.0,1.0,0.23541072787604425,0.23541072787604425,B,bcc,175.55003200000004 +0,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,7.0,1.0,0.10129553125595656,0.10129553125595656,E0,bcc,-5.908835 +1,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,9.0,1.0,0.02906510144287755,-0.02906510144287755,E0,bcc,-5.90114 +2,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,11.0,1.0,0.005646911084733167,0.005646911084733167,E0,bcc,-5.903189 +3,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,13.0,1.0,0.01235552843998458,0.01235552843998458,E0,bcc,-5.903585 +4,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,15.0,1.0,0.0021628682101630225,-0.0021628682101630225,E0,bcc,-5.902728 +5,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,17.0,1.0,0.15045817662205113,0.15045817662205113,E0,bcc,-5.9117370000000005 +6,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,19.0,1.0,0.0025525101272558287,-0.0025525101272558287,E0,bcc,-5.902705 +7,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,21.0,1.0,0.0002824224363326335,-0.0002824224363326335,E0,bcc,-5.902839 +8,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,23.0,1.0,6.219004843678065e-05,-6.219004843678065e-05,E0,bcc,-5.9028519999999975 +9,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,25.0,1.0,0.1544223596047031,0.1544223596047031,E0,bcc,-5.911971 +10,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,27.0,1.0,0.0020273405868205057,-0.0020273405868205057,E0,bcc,-5.902736 +11,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,29.0,1.0,7.913100132638281e-05,-7.913100132638281e-05,E0,bcc,-5.902851 +12,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,31.0,1.0,0.0002824224363326335,-0.0002824224363326335,E0,bcc,-5.902839 +13,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,33.0,1.0,6.219004843678065e-05,-6.219004843678065e-05,E0,bcc,-5.9028519999999975 +14,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,35.0,1.0,4.524909548699216e-05,-4.524909548699216e-05,E0,bcc,-5.9028529999999995 +15,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,37.0,1.0,0.0003332452950917195,-0.0003332452950917195,E0,bcc,-5.902836 +16,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,39.0,1.0,0.00016383576590981282,-0.00016383576590981282,E0,bcc,-5.902846 +17,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,41.0,1.0,0.0005195957771782748,-0.0005195957771782748,E0,bcc,-5.902825 +18,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,43.0,1.0,5.573763257047221e-06,5.573763257047221e-06,E0,bcc,-5.902856 +19,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,45.0,1.0,5.573763257047221e-06,5.573763257047221e-06,E0,bcc,-5.902856 +20,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,47.0,1.0,5.573763257047221e-06,5.573763257047221e-06,E0,bcc,-5.902856 +21,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,49.0,1.0,5.573763257047221e-06,5.573763257047221e-06,E0,bcc,-5.902856 +22,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,51.0,1.0,2.2514716176742546e-05,2.2514716176742546e-05,E0,bcc,-5.902857 +23,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,53.0,1.0,4.524909548699216e-05,-4.524909548699216e-05,E0,bcc,-5.9028529999999995 +24,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,55.0,1.0,4.524909548699216e-05,-4.524909548699216e-05,E0,bcc,-5.9028529999999995 +25,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,57.0,1.0,0.0007848575974577058,0.0007848575974577058,E0,bcc,-5.902902 +26,Tetra,allKp,DMol3,Ni,PBE,-5.902855670988799,5.17228307409877e-05,59.0,1.0,0.00073403473869862,0.00073403473869862,E0,bcc,-5.902899 +0,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,7.0,1.0,0.17725697411895364,-0.17725697411895364,v0,bcc,11.0989 +1,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,9.0,1.0,0.14562515605873164,0.14562515605873164,v0,bcc,11.1348 +2,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,11.0,1.0,0.005472888146981904,-0.005472888146981904,v0,bcc,11.118 +3,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,13.0,1.0,0.11054882436812127,0.11054882436812127,v0,bcc,11.1309 +4,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,15.0,1.0,0.10515246564648524,0.10515246564648524,v0,bcc,11.1303 +5,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,17.0,1.0,1.2437841559109728,1.2437841559109728,v0,bcc,11.2569 +6,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,19.0,1.0,0.03859737474634456,0.03859737474634456,v0,bcc,11.1229 +7,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,21.0,1.0,0.03859737474634456,0.03859737474634456,v0,bcc,11.1229 +8,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,23.0,1.0,0.050289485309886674,0.050289485309886674,v0,bcc,11.1242 +9,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,25.0,1.0,1.1880217824541044,1.1880217824541044,v0,bcc,11.2507 +10,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,27.0,1.0,0.061981595873428774,0.061981595873428774,v0,bcc,11.1255 +11,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,29.0,1.0,0.01971011922062637,0.01971011922062637,v0,bcc,11.1208 +12,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,31.0,1.0,0.016112546739546322,0.016112546739546322,v0,bcc,11.1204 +13,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,33.0,1.0,0.02060951234091236,0.02060951234091236,v0,bcc,11.1209 +14,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,35.0,1.0,0.01971011922062637,0.01971011922062637,v0,bcc,11.1208 +15,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,37.0,1.0,0.017011939859816333,0.017011939859816333,v0,bcc,11.1205 +16,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,39.0,1.0,0.016112546739546322,0.016112546739546322,v0,bcc,11.1204 +17,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,41.0,1.0,0.022408298581452383,0.022408298581452383,v0,bcc,11.1211 +18,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,43.0,1.0,0.017911332980086347,0.017911332980086347,v0,bcc,11.1206 +19,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,45.0,1.0,0.01881072610035636,0.01881072610035636,v0,bcc,11.1207 +20,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,47.0,1.0,0.017011939859816333,0.017011939859816333,v0,bcc,11.1205 +21,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,49.0,1.0,0.01881072610035636,0.01881072610035636,v0,bcc,11.1207 +22,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,51.0,1.0,0.01881072610035636,0.01881072610035636,v0,bcc,11.1207 +23,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,53.0,1.0,0.017911332980086347,0.017911332980086347,v0,bcc,11.1206 +24,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,55.0,1.0,0.017911332980086347,0.017911332980086347,v0,bcc,11.1206 +25,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,57.0,1.0,0.007118615536830222,0.007118615536830222,v0,bcc,11.1194 +26,Tetra,allKp,DMol3,Ni,PBE,11.118608509007199,0.00071921785176595,59.0,1.0,0.007118615536830222,0.007118615536830222,v0,bcc,11.1194 +0,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,7.0,1.0,3.53130190376861,3.53130190376861,dB,bcc,4.801977 +1,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,9.0,1.0,6.816293798375868,-6.816293798375868,dB,bcc,4.322036 +2,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,11.0,1.0,0.4879611689621557,-0.4879611689621557,dB,bcc,4.615556 +3,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,13.0,1.0,7.751745202453946,-7.751745202453946,dB,bcc,4.2786480000000005 +4,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,15.0,1.0,7.246203012843398,-7.246203012843398,dB,bcc,4.302096 +5,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,17.0,1.0,221.01661949411945,-221.01661949411945,dB,bcc,-5.612979 +6,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,19.0,1.0,2.8323031165612833,-2.8323031165612833,dB,bcc,4.5068209999999995 +7,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,21.0,1.0,3.0691843873414006,-3.0691843873414006,dB,bcc,4.495833999999999 +8,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,23.0,1.0,4.3415129968384765,-4.3415129968384765,dB,bcc,4.436821 +9,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,25.0,1.0,217.2065329107951,-217.2065329107951,dB,bcc,-5.43626 +10,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,27.0,1.0,4.494891840956941,-4.494891840956941,dB,bcc,4.429707 +11,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,29.0,1.0,2.022612015792548,-2.022612015792548,dB,bcc,4.5443760000000015 +12,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,31.0,1.0,1.8276005391196184,-1.8276005391196184,dB,bcc,4.553421 +13,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,33.0,1.0,2.03904084334646,-2.03904084334646,dB,bcc,4.543614 +14,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,35.0,1.0,1.9494800170225872,-1.9494800170225872,dB,bcc,4.547768 +15,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,37.0,1.0,1.7626829541265554,-1.7626829541265554,dB,bcc,4.556432 +16,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,39.0,1.0,1.7580906440622923,-1.7580906440622923,dB,bcc,4.556645 +17,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,41.0,1.0,2.2023373523924508,-2.2023373523924508,dB,bcc,4.53604 +18,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,43.0,1.0,1.8585824619475968,-1.8585824619475968,dB,bcc,4.551984 +19,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,45.0,1.0,1.918972417299828,-1.918972417299828,dB,bcc,4.549183 +20,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,47.0,1.0,1.8331846156766396,-1.8331846156766396,dB,bcc,4.553162 +21,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,49.0,1.0,1.9125474952380783,-1.9125474952380783,dB,bcc,4.549481 +22,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,51.0,1.0,1.897735678270213,-1.897735678270213,dB,bcc,4.550168 +23,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,53.0,1.0,1.8804660052116116,-1.8804660052116116,dB,bcc,4.550969 +24,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,55.0,1.0,1.8804660052116116,-1.8804660052116116,dB,bcc,4.550969 +25,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,57.0,1.0,1.1787049710238775,-1.1787049710238775,dB,bcc,4.583518 +26,Tetra,allKp,DMol3,Ni,PBE,4.63818855911171,0.0603680051230978,59.0,1.0,1.1202123080925637,-1.1202123080925637,dB,bcc,4.586231 +0,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,7.0,1.0,1.4871581718406766,1.4871581718406766,B,fcc,192.26818 +1,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,9.0,1.0,2.4845347828776507,-2.4845347828776507,B,fcc,184.743778 +2,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,11.0,1.0,1.1047877872028564,-1.1047877872028564,B,fcc,187.357719 +3,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,13.0,1.0,0.08564034628234253,0.08564034628234253,B,fcc,189.612994 +4,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,15.0,1.0,0.1929294451337924,0.1929294451337924,B,fcc,189.81625400000001 +5,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,17.0,1.0,0.3363714759863034,0.3363714759863034,B,fcc,190.088006 +6,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,19.0,1.0,0.3269104418044049,0.3269104418044049,B,fcc,190.070082 +7,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,21.0,1.0,0.18565578685290754,0.18565578685290754,B,fcc,189.802474 +8,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,23.0,1.0,0.05633721569719698,0.05633721569719698,B,fcc,189.557479 +9,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,25.0,1.0,0.0777403759999135,-0.0777403759999135,B,fcc,189.30346799999998 +10,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,27.0,1.0,0.029272897722162895,-0.029272897722162895,B,fcc,189.39529 +11,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,29.0,1.0,0.0006124422304738102,0.0006124422304738102,B,fcc,189.451908 +12,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,31.0,1.0,0.06527199172917339,0.06527199172917339,B,fcc,189.574406 +13,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,33.0,1.0,0.07412917503491727,0.07412917503491727,B,fcc,189.59118600000002 +14,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,35.0,1.0,1.9785349603651996,1.9785349603651996,B,fcc,193.199097 +15,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,37.0,1.0,0.04891153901391868,0.04891153901391868,B,fcc,189.54341100000002 +16,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,39.0,1.0,0.03791131850785048,0.03791131850785048,B,fcc,189.522571 +17,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,41.0,1.0,0.050330377436202285,0.050330377436202285,B,fcc,189.546099 +18,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,43.0,1.0,0.04762782806042756,0.04762782806042756,B,fcc,189.540979 +19,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,45.0,1.0,0.050378411028621985,0.050378411028621985,B,fcc,189.54619 +20,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,47.0,1.0,0.04106253330732975,0.04106253330732975,B,fcc,189.528541 +21,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,49.0,1.0,0.04854310552479983,0.04854310552479983,B,fcc,189.542713 +22,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,51.0,1.0,0.038674577569829324,0.038674577569829324,B,fcc,189.524017 +23,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,53.0,1.0,0.04182262531926687,0.04182262531926687,B,fcc,189.529981 +24,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,55.0,1.0,0.046917353165946016,0.046917353165946016,B,fcc,189.539633 +25,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,57.0,1.0,0.053383941525821314,0.053383941525821314,B,fcc,189.551884 +26,Tetra,allKp,DMol3,Ni,PBE,189.450747723615,0.0878400104580776,59.0,1.0,0.051368642010843735,0.051368642010843735,B,fcc,189.548066 +0,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,7.0,1.0,0.08835033783948988,0.08835033783948988,E0,fcc,-6.014582 +1,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,9.0,1.0,0.03250331410057915,0.03250331410057915,E0,fcc,-6.0112260000000015 +2,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,11.0,1.0,0.05328077629700389,-0.05328077629700389,E0,fcc,-6.0060709999999995 +3,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,13.0,1.0,0.02480811312141188,-0.02480811312141188,E0,fcc,-6.007782 +4,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,15.0,1.0,0.002925265619415163,-0.002925265619415163,E0,fcc,-6.009097 +5,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,17.0,1.0,0.006826330301630341,0.006826330301630341,E0,fcc,-6.009683 +6,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,19.0,1.0,0.00021987367936201032,0.00021987367936201032,E0,fcc,-6.009286 +7,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,21.0,1.0,0.001384740086312687,0.001384740086312687,E0,fcc,-6.0093559999999995 +8,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,23.0,1.0,0.0007191021394795062,0.0007191021394795062,E0,fcc,-6.009316 +9,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,25.0,1.0,0.0028753427733960234,-0.0028753427733960234,E0,fcc,-6.0091 +10,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,27.0,1.0,0.0015939897257783613,-0.0015939897257783613,E0,fcc,-6.0091769999999975 +11,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,29.0,1.0,7.966339672326722e-05,-7.966339672326722e-05,E0,fcc,-6.009268 +12,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,31.0,1.0,3.5413466419654977e-06,3.5413466419654977e-06,E0,fcc,-6.009273 +13,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,33.0,1.0,0.0007453013435416682,-0.0007453013435416682,E0,fcc,-6.009228 +14,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,35.0,1.0,0.003930805232934086,0.003930805232934086,E0,fcc,-6.0095089999999995 +15,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,37.0,1.0,0.00021987367936201032,0.00021987367936201032,E0,fcc,-6.009286 +16,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,39.0,1.0,0.0003958414214668112,-0.0003958414214668112,E0,fcc,-6.009249 +17,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,41.0,1.0,0.00029599572942853186,-0.00029599572942853186,E0,fcc,-6.0092550000000005 +18,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,43.0,1.0,0.0002032327306889638,0.0002032327306889638,E0,fcc,-6.009285 +19,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,45.0,1.0,0.00012002798733851121,0.00012002798733851121,E0,fcc,-6.00928 +20,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,47.0,1.0,0.00026271383209721896,-0.00026271383209721896,E0,fcc,-6.009257 +21,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,49.0,1.0,2.018229530023191e-05,2.018229530023191e-05,E0,fcc,-6.009274 +22,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,51.0,1.0,8.674608999241808e-05,8.674608999241808e-05,E0,fcc,-6.009278 +23,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,53.0,1.0,9.630434538153364e-05,-9.630434538153364e-05,E0,fcc,-6.0092669999999995 +24,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,55.0,1.0,7.966339672326722e-05,-7.966339672326722e-05,E0,fcc,-6.009268 +25,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,57.0,1.0,0.00013666893599677762,0.00013666893599677762,E0,fcc,-6.009281 +26,Tetra,allKp,DMol3,Ni,PBE,-6.00927278719082,6.88955655598732e-06,59.0,1.0,3.682324397327846e-05,3.682324397327846e-05,E0,fcc,-6.009275 +0,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,7.0,1.0,0.383845282140942,0.383845282140942,v0,fcc,11.0959 +1,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,9.0,1.0,0.0997716385555464,0.0997716385555464,v0,fcc,11.0645 +2,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,11.0,1.0,0.008791537336966766,-0.008791537336966766,v0,fcc,11.0525 +3,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,13.0,1.0,0.02236193432354698,-0.02236193432354698,v0,fcc,11.050999999999998 +4,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,15.0,1.0,0.026885399985724315,-0.026885399985724315,v0,fcc,11.0505 +5,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,17.0,1.0,0.018743161793789046,-0.018743161793789046,v0,fcc,11.0514 +6,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,19.0,1.0,0.009302325311790786,0.009302325311790786,v0,fcc,11.0545 +7,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,21.0,1.0,0.006588245914468315,0.006588245914468315,v0,fcc,11.0542 +8,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,23.0,1.0,0.010207018444226251,0.010207018444226251,v0,fcc,11.0546 +9,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,25.0,1.0,0.0011600871198394422,0.0011600871198394422,v0,fcc,11.0536 +10,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,27.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +11,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,29.0,1.0,0.002458685409902426,-0.002458685409902426,v0,fcc,11.0532 +12,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,31.0,1.0,0.002458685409902426,-0.002458685409902426,v0,fcc,11.0532 +13,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,33.0,1.0,0.0011600871198394422,0.0011600871198394422,v0,fcc,11.0536 +14,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,35.0,1.0,0.006077457939660365,-0.006077457939660365,v0,fcc,11.0528 +15,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,37.0,1.0,0.003874166517161914,0.003874166517161914,v0,fcc,11.0539 +16,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,39.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +17,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,41.0,1.0,0.0011600871198394422,0.0011600871198394422,v0,fcc,11.0536 +18,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,43.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +19,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,45.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +20,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,47.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +21,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,49.0,1.0,0.000649299145031492,-0.000649299145031492,v0,fcc,11.0534 +22,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,51.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +23,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,53.0,1.0,0.000649299145031492,-0.000649299145031492,v0,fcc,11.0534 +24,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,55.0,1.0,0.000649299145031492,-0.000649299145031492,v0,fcc,11.0534 +25,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,57.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +26,Tetra,allKp,DMol3,Ni,PBE,11.0534717700977,3.19780699856037e-05,59.0,1.0,0.0002553939874039751,0.0002553939874039751,v0,fcc,11.0535 +0,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,7.0,1.0,9.975957238013448,-9.975957238013448,dB,fcc,4.266021 +1,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,9.0,1.0,3.420230221095649,-3.420230221095649,dB,fcc,4.576681 +2,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,11.0,1.0,2.553719810920976,2.553719810920976,dB,fcc,4.859772 +3,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,13.0,1.0,0.328051965857864,0.328051965857864,dB,fcc,4.754303 +4,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,15.0,1.0,0.1166848746801555,-0.1166848746801555,dB,fcc,4.7332279999999995 +5,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,17.0,1.0,0.04552698019407763,-0.04552698019407763,dB,fcc,4.7366 +6,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,19.0,1.0,0.028307276190319912,-0.028307276190319912,dB,fcc,4.7374160000000005 +7,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,21.0,1.0,0.5447506782537729,-0.5447506782537729,dB,fcc,4.712943 +8,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,23.0,1.0,0.9370265087999904,-0.9370265087999904,dB,fcc,4.694354 +9,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,25.0,1.0,0.3105964679282676,-0.3105964679282676,dB,fcc,4.724039 +10,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,27.0,1.0,0.14726251083387382,-0.14726251083387382,dB,fcc,4.731779 +11,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,29.0,1.0,0.04187989968769895,0.04187989968769895,dB,fcc,4.740742 +12,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,31.0,1.0,0.14078768481707374,0.14078768481707374,dB,fcc,4.745429 +13,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,33.0,1.0,0.1814064827432819,-0.1814064827432819,dB,fcc,4.730161 +14,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,35.0,1.0,7.011340403858049,-7.011340403858049,dB,fcc,4.406507 +15,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,37.0,1.0,0.5048879075882241,-0.5048879075882241,dB,fcc,4.714832 +16,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,39.0,1.0,0.278668266754646,-0.278668266754646,dB,fcc,4.7255519999999995 +17,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,41.0,1.0,0.2710291333608262,-0.2710291333608262,dB,fcc,4.7259139999999995 +18,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,43.0,1.0,0.1444347653234712,-0.1444347653234712,dB,fcc,4.731913 +19,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,45.0,1.0,0.14143819918555722,-0.14143819918555722,dB,fcc,4.732055 +20,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,47.0,1.0,0.22707246247870835,-0.22707246247870835,dB,fcc,4.727997 +21,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,49.0,1.0,0.18092112343924302,-0.18092112343924302,dB,fcc,4.7301839999999995 +22,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,51.0,1.0,0.2017071631986717,-0.2017071631986717,dB,fcc,4.7291989999999995 +23,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,53.0,1.0,0.172290168858944,-0.172290168858944,dB,fcc,4.730593 +24,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,55.0,1.0,0.1214751599851338,-0.1214751599851338,dB,fcc,4.733001 +25,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,57.0,1.0,0.21804055890812613,-0.21804055890812613,dB,fcc,4.728425 +26,Tetra,allKp,DMol3,Ni,PBE,4.73875741314893,0.00795696304051303,59.0,1.0,0.21164647764201505,-0.21164647764201505,dB,fcc,4.728728 +0,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,7.0,1.0,0.27307128303454703,-0.27307128303454703,B,bcc,150.312378 +1,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,9.0,1.0,0.1213676586422214,0.1213676586422214,B,bcc,150.906892 +2,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,11.0,1.0,0.10409170617967177,0.10409170617967177,B,bcc,150.880853 +3,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,13.0,1.0,0.08343720197705068,-0.08343720197705068,B,bcc,150.59820200000001 +4,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,15.0,1.0,0.2534420219432242,-0.2534420219432242,B,bcc,150.341964 +5,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,17.0,1.0,0.014981787394569759,0.014981787394569759,B,bcc,150.746543 +6,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,19.0,1.0,0.060269211609824284,0.060269211609824284,B,bcc,150.81480200000001 +7,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,21.0,1.0,0.03283429051919786,0.03283429051919786,B,bcc,150.773451 +8,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,23.0,1.0,0.061656325468987326,-0.061656325468987326,B,bcc,150.631031 +9,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,25.0,1.0,0.01795344494976879,0.01795344494976879,B,bcc,150.751022 +10,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,27.0,1.0,0.012095716761581395,0.012095716761581395,B,bcc,150.742193 +11,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,29.0,1.0,0.014897336963133825,-0.014897336963133825,B,bcc,150.70150800000005 +12,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,31.0,1.0,0.02228236046101219,-0.02228236046101219,B,bcc,150.690377 +13,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,33.0,1.0,0.010783193515983149,-0.010783193515983149,B,bcc,150.70770900000005 +14,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,35.0,1.0,0.012741931197572009,0.012741931197572009,B,bcc,150.743167 +15,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,37.0,1.0,0.008544854686257276,0.008544854686257276,B,bcc,150.736841 +16,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,39.0,1.0,0.0030418895744985385,-0.0030418895744985385,B,bcc,150.719377 +17,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,41.0,1.0,0.01740855014611423,-0.01740855014611423,B,bcc,150.697723 +18,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,43.0,1.0,0.007686141167798838,-0.007686141167798838,B,bcc,150.712377 +19,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,45.0,1.0,0.0066951156230920785,0.0066951156230920785,B,bcc,150.734053 +20,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,47.0,1.0,0.00955929192713932,0.00955929192713932,B,bcc,150.73837 +21,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,49.0,1.0,0.0040304516993318286,-0.0040304516993318286,B,bcc,150.71788700000005 +22,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,51.0,1.0,0.0040304516993318286,-0.0040304516993318286,B,bcc,150.71788700000005 +23,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,53.0,1.0,7.55397354115887e-05,-7.55397354115887e-05,B,bcc,150.723848 +24,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,55.0,1.0,0.0009627822279276775,0.0009627822279276775,B,bcc,150.72541299999997 +25,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,57.0,1.0,0.00600226823298061,-0.00600226823298061,B,bcc,150.714915 +26,Tetra,allKp,DMol3,Pd,PBE,150.723961856482,0.00342124398589375,59.0,1.0,0.002385250144551186,0.002385250144551186,B,bcc,150.72755700000005 +0,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,7.0,1.0,0.1001111182554634,0.1001111182554634,E0,bcc,-3.455315 +1,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,9.0,1.0,0.08994268527539387,0.08994268527539387,E0,bcc,-3.454964 +2,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,11.0,1.0,0.08077690319045426,-0.08077690319045426,E0,bcc,-3.449071 +3,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,13.0,1.0,0.022837114130257626,-0.022837114130257626,E0,bcc,-3.4510709999999998 +4,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,15.0,1.0,0.014070531501083424,0.014070531501083424,E0,bcc,-3.4523449999999998 +5,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,17.0,1.0,0.01757588873922602,0.01757588873922602,E0,bcc,-3.4524660000000003 +6,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,19.0,1.0,0.005455177412202496,-0.005455177412202496,E0,bcc,-3.4516709999999997 +7,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,21.0,1.0,0.010582848744025606,-0.010582848744025606,E0,bcc,-3.4514940000000003 +8,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,23.0,1.0,0.003774923529453692,-0.003774923529453692,E0,bcc,-3.4517290000000003 +9,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,25.0,1.0,0.0007620544983272241,-0.0007620544983272241,E0,bcc,-3.451833 +10,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,27.0,1.0,0.0011096932326983618,-0.0011096932326983618,E0,bcc,-3.451821 +11,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,29.0,1.0,0.0014863018615779132,-0.0014863018615779132,E0,bcc,-3.451808 +12,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,31.0,1.0,0.001352747802369419,0.001352747802369419,E0,bcc,-3.4519059999999997 +13,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,33.0,1.0,0.00048365096647373835,0.00048365096647373835,E0,bcc,-3.4518760000000004 +14,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,35.0,1.0,0.00024059639678981572,-0.00024059639678981572,E0,bcc,-3.451851 +15,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,37.0,1.0,0.0009069039709850812,-0.0009069039709850812,E0,bcc,-3.451828 +16,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,39.0,1.0,0.00050132544755852,-0.00050132544755852,E0,bcc,-3.4518419999999996 +17,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,41.0,1.0,0.0005882351311480879,-0.0005882351311480879,E0,bcc,-3.451839 +18,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,43.0,1.0,0.00015368671320024768,-0.00015368671320024768,E0,bcc,-3.451854 +19,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,45.0,1.0,0.00016498212663674537,0.00016498212663674537,E0,bcc,-3.451865 +20,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,47.0,1.0,4.9102548513032865e-05,4.9102548513032865e-05,E0,bcc,-3.451861 +21,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,49.0,1.0,6.677702961067963e-05,-6.677702961067963e-05,E0,bcc,-3.451857 +22,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,51.0,1.0,6.677702961067963e-05,-6.677702961067963e-05,E0,bcc,-3.451857 +23,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,53.0,1.0,0.0002695662913239602,-0.0002695662913239602,E0,bcc,-3.45185 +24,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,55.0,1.0,0.00035647597490066305,-0.00035647597490066305,E0,bcc,-3.4518470000000003 +25,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,57.0,1.0,0.00018265660773439212,-0.00018265660773439212,E0,bcc,-3.451853 +26,Tetra,allKp,DMol3,Pd,PBE,-3.45185930504911,3.51303104413095e-06,59.0,1.0,0.0001070423375684565,0.0001070423375684565,E0,bcc,-3.451863 +0,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,7.0,1.0,0.3020880031552177,0.3020880031552177,v0,bcc,15.8417 +1,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,9.0,1.0,0.033631427703487815,0.033631427703487815,v0,bcc,15.7993 +2,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,11.0,1.0,0.0068903195345170025,-0.0068903195345170025,v0,bcc,15.7929 +3,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,13.0,1.0,0.021452822448172343,-0.021452822448172343,v0,bcc,15.7906 +4,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,15.0,1.0,0.019068924789832468,0.019068924789832468,v0,bcc,15.797 +5,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,17.0,1.0,0.015270010986267759,0.015270010986267759,v0,bcc,15.7964 +6,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,19.0,1.0,0.0026069649743891464,0.0026069649743891464,v0,bcc,15.7944 +7,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,21.0,1.0,0.008305335679730588,0.008305335679730588,v0,bcc,15.7953 +8,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,23.0,1.0,0.005772726477361612,0.005772726477361612,v0,bcc,15.7949 +9,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,25.0,1.0,0.001973812673796903,0.001973812673796903,v0,bcc,15.7943 +10,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,27.0,1.0,0.0018251011297678054,-0.0018251011297678054,v0,bcc,15.7937 +11,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,29.0,1.0,0.0018251011297678054,-0.0018251011297678054,v0,bcc,15.7937 +12,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,31.0,1.0,0.0005587965285720715,-0.0005587965285720715,v0,bcc,15.7939 +13,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,33.0,1.0,0.0013406603732046595,0.0013406603732046595,v0,bcc,15.7942 +14,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,35.0,1.0,0.001973812673796903,0.001973812673796903,v0,bcc,15.7943 +15,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,37.0,1.0,0.0007075080726124157,0.0007075080726124157,v0,bcc,15.7941 +16,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,39.0,1.0,0.0018251011297678054,-0.0018251011297678054,v0,bcc,15.7937 +17,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,41.0,1.0,0.0011919488291755624,-0.0011919488291755624,v0,bcc,15.7938 +18,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,43.0,1.0,0.0007075080726124157,0.0007075080726124157,v0,bcc,15.7941 +19,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,45.0,1.0,0.0007075080726124157,0.0007075080726124157,v0,bcc,15.7941 +20,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,47.0,1.0,0.0005587965285720715,-0.0005587965285720715,v0,bcc,15.7939 +21,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,49.0,1.0,7.435577202017212e-05,7.435577202017212e-05,v0,bcc,15.794 +22,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,51.0,1.0,7.435577202017212e-05,7.435577202017212e-05,v0,bcc,15.794 +23,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,53.0,1.0,0.0005587965285720715,-0.0005587965285720715,v0,bcc,15.7939 +24,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,55.0,1.0,7.435577202017212e-05,7.435577202017212e-05,v0,bcc,15.794 +25,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,57.0,1.0,7.435577202017212e-05,7.435577202017212e-05,v0,bcc,15.794 +26,Tetra,allKp,DMol3,Pd,PBE,15.7939882562581,2.88987659063336e-05,59.0,1.0,7.435577202017212e-05,7.435577202017212e-05,v0,bcc,15.794 +0,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,7.0,1.0,0.7084451408888431,-0.7084451408888431,dB,bcc,5.409448 +1,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,9.0,1.0,0.3458012538690429,-0.3458012538690429,dB,bcc,5.4292050000000005 +2,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,11.0,1.0,0.14628357515932205,0.14628357515932205,dB,bcc,5.456014 +3,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,13.0,1.0,0.7377068015431402,0.7377068015431402,dB,bcc,5.4882349999999995 +4,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,15.0,1.0,0.2909925963481093,-0.2909925963481093,dB,bcc,5.432191 +5,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,17.0,1.0,0.4316118613407128,-0.4316118613407128,dB,bcc,5.42453 +6,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,19.0,1.0,0.19086492495605487,-0.19086492495605487,dB,bcc,5.437646 +7,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,21.0,1.0,0.1741433285054221,-0.1741433285054221,dB,bcc,5.438557 +8,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,23.0,1.0,0.09624727227852208,0.09624727227852208,dB,bcc,5.453288 +9,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,25.0,1.0,0.09947433359747694,-0.09947433359747694,dB,bcc,5.442625 +10,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,27.0,1.0,0.054379037916415185,0.054379037916415185,dB,bcc,5.451007 +11,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,29.0,1.0,0.09900055380165416,0.09900055380165416,dB,bcc,5.453437999999999 +12,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,31.0,1.0,0.03264646909365753,0.03264646909365753,dB,bcc,5.449823 +13,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,33.0,1.0,0.06852744927721154,-0.06852744927721154,dB,bcc,5.444311 +14,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,35.0,1.0,0.0811925442837169,-0.0811925442837169,dB,bcc,5.443621 +15,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,37.0,1.0,0.01588816222271084,0.01588816222271084,dB,bcc,5.44891 +16,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,39.0,1.0,0.09138314158762006,0.09138314158762006,dB,bcc,5.453023 +17,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,41.0,1.0,0.09158504889931372,0.09158504889931372,dB,bcc,5.453034 +18,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,43.0,1.0,0.030623940308447457,-0.030623940308447457,dB,bcc,5.446376 +19,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,45.0,1.0,0.061240430845920714,-0.061240430845920714,dB,bcc,5.444708 +20,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,47.0,1.0,0.01313142503133765,-0.01313142503133765,dB,bcc,5.447329 +21,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,49.0,1.0,0.0028743182232726853,0.0028743182232726853,dB,bcc,5.448201 +22,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,51.0,1.0,0.0028743182232726853,0.0028743182232726853,dB,bcc,5.448201 +23,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,53.0,1.0,0.03963980416247007,0.03963980416247007,dB,bcc,5.450204 +24,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,55.0,1.0,0.012969683808198991,0.012969683808198991,dB,bcc,5.4487510000000015 +25,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,57.0,1.0,0.009115089675765171,0.009115089675765171,dB,bcc,5.4485410000000005 +26,Tetra,allKp,DMol3,Pd,PBE,5.44804440586683,0.000634713838509114,59.0,1.0,0.014985301256926837,-0.014985301256926837,dB,bcc,5.447228 +0,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,7.0,1.0,0.6852925939036499,-0.6852925939036499,B,fcc,154.332639 +1,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,9.0,1.0,0.2678362281387142,0.2678362281387142,B,fcc,155.813778 +2,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,11.0,1.0,0.15202231711441025,0.15202231711441025,B,fcc,155.633806 +3,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,13.0,1.0,0.10747207007480314,0.10747207007480314,B,fcc,155.564576 +4,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,15.0,1.0,0.07137242880207904,-0.07137242880207904,B,fcc,155.286656 +5,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,17.0,1.0,0.021874227848164843,-0.021874227848164843,B,fcc,155.363575 +6,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,19.0,1.0,0.02633826170219795,-0.02633826170219795,B,fcc,155.35663799999998 +7,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,21.0,1.0,0.06556858262027034,0.06556858262027034,B,fcc,155.499459 +8,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,23.0,1.0,0.03463437887271816,0.03463437887271816,B,fcc,155.45138799999995 +9,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,25.0,1.0,0.061821442718553006,-0.061821442718553006,B,fcc,155.301498 +10,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,27.0,1.0,0.013511806061667868,-0.013511806061667868,B,fcc,155.37657 +11,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,29.0,1.0,0.02279764271723676,0.02279764271723676,B,fcc,155.432994 +12,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,31.0,1.0,0.0607313125495348,0.0607313125495348,B,fcc,155.491942 +13,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,33.0,1.0,0.00034171569746506474,-0.00034171569746506474,B,fcc,155.397036 +14,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,35.0,1.0,0.006332133963771172,0.006332133963771172,B,fcc,155.407407 +15,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,37.0,1.0,0.011762077406201698,0.011762077406201698,B,fcc,155.415845 +16,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,39.0,1.0,0.020523498850088646,-0.020523498850088646,B,fcc,155.365674 +17,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,41.0,1.0,0.010231808917687012,0.010231808917687012,B,fcc,155.413467 +18,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,43.0,1.0,0.013472528895926587,0.013472528895926587,B,fcc,155.41850300000004 +19,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,45.0,1.0,0.010392686597300442,0.010392686597300442,B,fcc,155.413717 +20,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,47.0,1.0,0.003293499363091707,-0.003293499363091707,B,fcc,155.392449 +21,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,49.0,1.0,0.011726040805966974,0.011726040805966974,B,fcc,155.415789 +22,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,51.0,1.0,0.01869333135483405,0.01869333135483405,B,fcc,155.426616 +23,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,53.0,1.0,0.010157828196971074,-0.010157828196971074,B,fcc,155.38178200000004 +24,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,55.0,1.0,0.010054199959362476,0.010054199959362476,B,fcc,155.41319099999996 +25,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,57.0,1.0,0.009636561503106352,0.009636561503106352,B,fcc,155.412542 +26,Tetra,allKp,DMol3,Pd,PBE,155.39756701788,0.0070647124565259905,59.0,1.0,0.004812184658684907,-0.004812184658684907,B,fcc,155.390089 +0,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,7.0,1.0,0.024303591156334483,-0.024303591156334483,E0,fcc,-3.4943699999999995 +1,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,9.0,1.0,0.1838092348117215,0.1838092348117215,E0,fcc,-3.501644 +2,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,11.0,1.0,0.1347401471415592,-0.1347401471415592,E0,fcc,-3.49051 +3,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,13.0,1.0,0.001386575264046784,-0.001386575264046784,E0,fcc,-3.495171 +4,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,15.0,1.0,0.02098684100032184,0.02098684100032184,E0,fcc,-3.495953 +5,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,17.0,1.0,0.011028316032707085,-0.011028316032707085,E0,fcc,-3.4948339999999996 +6,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,19.0,1.0,0.020870330348480747,-0.020870330348480747,E0,fcc,-3.4944900000000003 +7,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,21.0,1.0,0.008255165504613514,0.008255165504613514,E0,fcc,-3.495508 +8,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,23.0,1.0,0.01123065820474325,0.01123065820474325,E0,fcc,-3.4956120000000004 +9,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,25.0,1.0,0.00968362221630914,-0.00968362221630914,E0,fcc,-3.494881 +10,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,27.0,1.0,0.001531696422623804,0.001531696422623804,E0,fcc,-3.4952730000000005 +11,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,29.0,1.0,0.0062524300333782114,0.0062524300333782114,E0,fcc,-3.4954379999999996 +12,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,31.0,1.0,0.0014437962775059306,-0.0014437962775059306,E0,fcc,-3.495169 +13,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,33.0,1.0,0.0014724067842418569,-0.0014724067842418569,E0,fcc,-3.495168 +14,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,35.0,1.0,0.0032483268265252573,0.0032483268265252573,E0,fcc,-3.495333 +15,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,37.0,1.0,0.001503085915875172,0.001503085915875172,E0,fcc,-3.495272 +16,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,39.0,1.0,0.0017299013448270747,-0.0017299013448270747,E0,fcc,-3.4951589999999997 +17,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,41.0,1.0,0.0013028123687618062,0.0013028123687618062,E0,fcc,-3.4952650000000003 +18,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,43.0,1.0,0.001531696422623804,0.001531696422623804,E0,fcc,-3.4952730000000005 +19,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,45.0,1.0,0.00029937600823405966,-0.00029937600823405966,E0,fcc,-3.4952089999999996 +20,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,47.0,1.0,0.0002707655014981336,-0.0002707655014981336,E0,fcc,-3.4952099999999997 +21,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,49.0,1.0,0.0010739283148998087,0.0010739283148998087,E0,fcc,-3.495257 +22,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,51.0,1.0,0.0008164337543145907,0.0008164337543145907,E0,fcc,-3.495248 +23,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,53.0,1.0,0.0007571441159453492,-0.0007571441159453492,E0,fcc,-3.495193 +24,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,55.0,1.0,0.000501718180270226,0.000501718180270226,E0,fcc,-3.4952370000000004 +25,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,57.0,1.0,0.0010453178081638826,0.0010453178081638826,E0,fcc,-3.495256 +26,Tetra,allKp,DMol3,Pd,PBE,-3.49521946384851,1.3168810269295802e-05,59.0,1.0,0.00041381803515235286,-0.00041381803515235286,E0,fcc,-3.4952050000000003 +0,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,7.0,1.0,0.1871937697720376,0.1871937697720376,v0,fcc,15.6791 +1,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,9.0,1.0,0.01083373966535605,0.01083373966535605,v0,fcc,15.6515 +2,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,11.0,1.0,0.06386954582062819,0.06386954582062819,v0,fcc,15.6598 +3,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,13.0,1.0,0.005140900742854898,-0.005140900742854898,v0,fcc,15.649 +4,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,15.0,1.0,0.005779886359193324,-0.005779886359193324,v0,fcc,15.6489 +5,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,17.0,1.0,0.013447713755129586,-0.013447713755129586,v0,fcc,15.6477 +6,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,19.0,1.0,0.025530408840912847,0.025530408840912847,v0,fcc,15.6538 +7,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,21.0,1.0,0.0031659122694084377,0.0031659122694084377,v0,fcc,15.6503 +8,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,23.0,1.0,0.009613800057155779,-0.009613800057155779,v0,fcc,15.6483 +9,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,25.0,1.0,0.00763881158370932,0.00763881158370932,v0,fcc,15.651 +10,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,27.0,1.0,0.0050828691184010176,0.0050828691184010176,v0,fcc,15.6506 +11,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,29.0,1.0,0.0019459726612195188,-0.0019459726612195188,v0,fcc,15.6495 +12,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,31.0,1.0,0.001306987044892443,-0.001306987044892443,v0,fcc,15.6496 +13,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,33.0,1.0,0.0044438835020625895,0.0044438835020625895,v0,fcc,15.6505 +14,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,35.0,1.0,2.901581222694067e-05,-2.901581222694067e-05,v0,fcc,15.6498 +15,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,37.0,1.0,2.901581222694067e-05,-2.901581222694067e-05,v0,fcc,15.6498 +16,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,39.0,1.0,0.0025269266530813625,0.0025269266530813625,v0,fcc,15.6502 +17,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,41.0,1.0,0.0018879410367542866,0.0018879410367542866,v0,fcc,15.6501 +18,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,43.0,1.0,2.901581222694067e-05,-2.901581222694067e-05,v0,fcc,15.6498 +19,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,45.0,1.0,0.001306987044892443,-0.001306987044892443,v0,fcc,15.6496 +20,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,47.0,1.0,0.0025269266530813625,0.0025269266530813625,v0,fcc,15.6502 +21,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,49.0,1.0,0.0006099698041001351,0.0006099698041001351,v0,fcc,15.6499 +22,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,51.0,1.0,2.901581222694067e-05,-2.901581222694067e-05,v0,fcc,15.6498 +23,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,53.0,1.0,0.001248955420427211,0.001248955420427211,v0,fcc,15.65 +24,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,55.0,1.0,0.0018879410367542866,0.0018879410367542866,v0,fcc,15.6501 +25,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,57.0,1.0,0.0006099698041001351,0.0006099698041001351,v0,fcc,15.6499 +26,Tetra,allKp,DMol3,Pd,PBE,15.6498045409179,7.87047543354028e-05,59.0,1.0,0.0006680014285653671,-0.0006680014285653671,v0,fcc,15.6497 +0,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,7.0,1.0,2.223375088617588,-2.223375088617588,dB,fcc,5.362719 +1,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,9.0,1.0,1.1191505833790945,-1.1191505833790945,dB,fcc,5.423282 +2,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,11.0,1.0,0.7371763848627328,-0.7371763848627328,dB,fcc,5.444232 +3,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,13.0,1.0,0.2865873977956709,0.2865873977956709,dB,fcc,5.500382 +4,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,15.0,1.0,0.045004670810379066,0.045004670810379066,dB,fcc,5.487132 +5,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,17.0,1.0,0.26627621607026114,0.26627621607026114,dB,fcc,5.499268 +6,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,19.0,1.0,0.16049562472555567,-0.16049562472555567,dB,fcc,5.475861 +7,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,21.0,1.0,0.13969216121686734,-0.13969216121686734,dB,fcc,5.477002 +8,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,23.0,1.0,0.06593576292956806,0.06593576292956806,dB,fcc,5.4882800000000005 +9,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,25.0,1.0,0.2082834230220333,-0.2082834230220333,dB,fcc,5.4732400000000005 +10,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,27.0,1.0,0.14208063949875338,-0.14208063949875338,dB,fcc,5.476871 +11,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,29.0,1.0,0.003676527759457271,-0.003676527759457271,dB,fcc,5.4844620000000015 +12,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,31.0,1.0,0.13095871772810996,-0.13095871772810996,dB,fcc,5.477481 +13,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,33.0,1.0,0.05600425805742972,-0.05600425805742972,dB,fcc,5.481592 +14,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,35.0,1.0,0.01718692781201916,-0.01718692781201916,dB,fcc,5.483721 +15,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,37.0,1.0,0.09782997697850558,-0.09782997697850558,dB,fcc,5.479298 +16,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,39.0,1.0,0.09841342205499894,-0.09841342205499894,dB,fcc,5.479266 +17,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,41.0,1.0,0.05928613661267448,-0.05928613661267448,dB,fcc,5.4814120000000015 +18,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,43.0,1.0,0.0541262942174976,-0.0541262942174976,dB,fcc,5.4816949999999975 +19,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,45.0,1.0,0.0271548980014272,0.0271548980014272,dB,fcc,5.486153 +20,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,47.0,1.0,0.0380633219552793,-0.0380633219552793,dB,fcc,5.482576 +21,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,49.0,1.0,0.02533692622428318,-0.02533692622428318,dB,fcc,5.483274 +22,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,51.0,1.0,0.056350678571597125,-0.056350678571597125,dB,fcc,5.481573 +23,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,53.0,1.0,0.01623882956271544,-0.01623882956271544,dB,fcc,5.483773 +24,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,55.0,1.0,0.057517568724583835,-0.057517568724583835,dB,fcc,5.481509 +25,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,57.0,1.0,0.03895672222868657,-0.03895672222868657,dB,fcc,5.4825269999999975 +26,Tetra,allKp,DMol3,Pd,PBE,5.4846636451814295,0.000803055875749012,59.0,1.0,0.018549083123154272,0.018549083123154272,dB,fcc,5.485681 +0,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,7.0,1.0,0.8561898545438729,0.8561898545438729,B,bcc,223.71593900000002 +1,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,9.0,1.0,0.1435201019338521,0.1435201019338521,B,bcc,222.135118 +2,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,11.0,1.0,0.14814856254246528,-0.14814856254246528,B,bcc,221.488148 +3,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,13.0,1.0,0.14228935637528775,0.14228935637528775,B,bcc,222.132388 +4,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,15.0,1.0,0.19063962392466235,0.19063962392466235,B,bcc,222.23963700000002 +5,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,17.0,1.0,0.09472847910908208,0.09472847910908208,B,bcc,222.02688999999998 +6,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,19.0,1.0,0.047921827967215634,0.047921827967215634,B,bcc,221.92306499999998 +7,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,21.0,1.0,0.03905820583284664,0.03905820583284664,B,bcc,221.903404 +8,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,23.0,1.0,0.014627230261644768,0.014627230261644768,B,bcc,221.84921200000002 +9,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,25.0,1.0,0.002732728130873384,0.002732728130873384,B,bcc,221.822828 +10,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,27.0,1.0,0.01263851749717366,-0.01263851749717366,B,bcc,221.78873199999998 +11,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,29.0,1.0,0.006964464896437082,-0.006964464896437082,B,bcc,221.801318 +12,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,31.0,1.0,0.009496284331186705,-0.009496284331186705,B,bcc,221.795702 +13,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,33.0,1.0,0.00023156462946277666,0.00023156462946277666,B,bcc,221.81727999999998 +14,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,35.0,1.0,0.0035906434414848813,0.0035906434414848813,B,bcc,221.824731 +15,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,37.0,1.0,0.0027271837591147517,-0.0027271837591147517,B,bcc,221.81071699999998 +16,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,39.0,1.0,0.0013248093105941994,0.0013248093105941994,B,bcc,221.81970499999997 +17,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,41.0,1.0,0.0025307596289663656,0.0025307596289663656,B,bcc,221.82237999999998 +18,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,43.0,1.0,0.0030140414014082377,0.0030140414014082377,B,bcc,221.823452 +19,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,45.0,1.0,0.0017367266191343814,-0.0017367266191343814,B,bcc,221.812914 +20,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,47.0,1.0,0.002552399111311258,0.002552399111311258,B,bcc,221.82242799999997 +21,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,49.0,1.0,0.0005962800715298984,0.0005962800715298984,B,bcc,221.81808900000001 +22,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,51.0,1.0,0.0021696507672815174,0.0021696507672815174,B,bcc,221.821579 +23,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,53.0,1.0,0.0008825523901160047,0.0008825523901160047,B,bcc,221.81872400000003 +24,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,55.0,1.0,0.0032106000327418453,0.0032106000327418453,B,bcc,221.82388799999998 +25,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,57.0,1.0,0.0014938677664360946,0.0014938677664360946,B,bcc,221.82008 +26,Tetra,allKp,DMol3,Pt,PBE,221.81676635082687,0.00207686696144983,59.0,1.0,0.0017507021181541304,-0.0017507021181541304,B,bcc,221.812883 +0,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,7.0,1.0,0.004672495219398191,0.004672495219398191,E0,bcc,-5.318906 +1,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,9.0,1.0,0.15948599884695278,0.15948599884695278,E0,bcc,-5.32714 +2,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,11.0,1.0,0.041166139932890033,-0.041166139932890033,E0,bcc,-5.316468 +3,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,13.0,1.0,0.0188484779452918,-0.0188484779452918,E0,bcc,-5.317655 +4,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,15.0,1.0,0.015878330556050625,0.015878330556050625,E0,bcc,-5.319502 +5,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,17.0,1.0,0.0017018207509581196,0.0017018207509581196,E0,bcc,-5.318748 +6,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,19.0,1.0,0.02264642884798037,-0.02264642884798037,E0,bcc,-5.3174529999999995 +7,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,21.0,1.0,0.004747175088761265,-0.004747175088761265,E0,bcc,-5.318405 +8,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,23.0,1.0,0.0032811666708764467,0.0032811666708764467,E0,bcc,-5.318832 +9,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,25.0,1.0,0.0012129755852635466,0.0012129755852635466,E0,bcc,-5.318722 +10,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,27.0,1.0,0.003938700391657435,-0.003938700391657435,E0,bcc,-5.318448 +11,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,29.0,1.0,0.0019645179917511745,-0.0019645179917511745,E0,bcc,-5.318553 +12,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,31.0,1.0,0.00117484503180871,-0.00117484503180871,E0,bcc,-5.318594999999998 +13,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,33.0,1.0,4.7267882461119864e-05,4.7267882461119864e-05,E0,bcc,-5.3186599999999995 +14,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,35.0,1.0,0.0009492241860726932,-0.0009492241860726932,E0,bcc,-5.318607 +15,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,37.0,1.0,0.0008552155003660523,-0.0008552155003660523,E0,bcc,-5.318612 +16,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,39.0,1.0,0.00027288872816373807,0.00027288872816373807,E0,bcc,-5.318672 +17,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,41.0,1.0,0.000329293939581043,0.000329293939581043,E0,bcc,-5.318675 +18,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,43.0,1.0,0.0006295946546634341,-0.0006295946546634341,E0,bcc,-5.318624 +19,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,45.0,1.0,0.00027236164896483867,-0.00027236164896483867,E0,bcc,-5.318643 +20,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,47.0,1.0,0.00012247483102309284,0.00012247483102309284,E0,bcc,-5.318664 +21,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,49.0,1.0,6.606961958908863e-05,6.606961958908863e-05,E0,bcc,-5.318661 +22,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,51.0,1.0,0.00027236164896483867,-0.00027236164896483867,E0,bcc,-5.318643 +23,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,53.0,1.0,0.00017835296324149834,-0.00017835296324149834,E0,bcc,-5.3186480000000005 +24,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,55.0,1.0,4.7267882461119864e-05,4.7267882461119864e-05,E0,bcc,-5.3186599999999995 +25,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,57.0,1.0,0.00010367309387842475,0.00010367309387842475,E0,bcc,-5.318663 +26,Tetra,allKp,DMol3,Pt,PBE,-5.318657485983231,5.8956593816017e-06,59.0,1.0,0.00027236164896483867,-0.00027236164896483867,E0,bcc,-5.318643 +0,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,7.0,1.0,0.10389616733186477,-0.10389616733186477,v0,bcc,16.1265 +1,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,9.0,1.0,0.14601897798898067,-0.14601897798898067,v0,bcc,16.1197 +2,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,11.0,1.0,0.02832288938819752,-0.02832288938819752,v0,bcc,16.1387 +3,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,13.0,1.0,0.030800701779787387,-0.030800701779787387,v0,bcc,16.1383 +4,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,15.0,1.0,0.02894234248609498,-0.02894234248609498,v0,bcc,16.1386 +5,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,17.0,1.0,0.006022577863844618,-0.006022577863844618,v0,bcc,16.1423 +6,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,19.0,1.0,0.0026497655067419536,0.0026497655067419536,v0,bcc,16.1437 +7,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,21.0,1.0,0.00478367166804968,-0.00478367166804968,v0,bcc,16.1425 +8,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,23.0,1.0,0.006022577863844618,-0.006022577863844618,v0,bcc,16.1423 +9,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,25.0,1.0,0.002305859276437797,-0.002305859276437797,v0,bcc,16.1429 +10,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,27.0,1.0,0.00044749998274539073,-0.00044749998274539073,v0,bcc,16.1432 +11,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,29.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +12,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,31.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +13,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,33.0,1.0,0.000791406213049547,0.000791406213049547,v0,bcc,16.1434 +14,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,35.0,1.0,0.000791406213049547,0.000791406213049547,v0,bcc,16.1434 +15,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,37.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +16,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,39.0,1.0,0.00044749998274539073,-0.00044749998274539073,v0,bcc,16.1432 +17,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,41.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +18,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,43.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +19,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,45.0,1.0,0.00044749998274539073,-0.00044749998274539073,v0,bcc,16.1432 +20,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,47.0,1.0,0.000791406213049547,0.000791406213049547,v0,bcc,16.1434 +21,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,49.0,1.0,0.00044749998274539073,-0.00044749998274539073,v0,bcc,16.1432 +22,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,51.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +23,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,53.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +24,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,55.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +25,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,57.0,1.0,0.00044749998274539073,-0.00044749998274539073,v0,bcc,16.1432 +26,Tetra,allKp,DMol3,Pt,PBE,16.143272241140494,2.42748969500052e-05,59.0,1.0,0.00017195311515207814,0.00017195311515207814,v0,bcc,16.1433 +0,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,7.0,1.0,0.044934561989070636,0.044934561989070636,dB,bcc,5.392119999999999 +1,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,9.0,1.0,0.9162449504755484,0.9162449504755484,dB,bcc,5.439081 +2,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,11.0,1.0,0.871678447352862,0.871678447352862,dB,bcc,5.436679 +3,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,13.0,1.0,1.3134842643209792,1.3134842643209792,dB,bcc,5.460491 +4,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,15.0,1.0,0.5856698521670988,0.5856698521670988,dB,bcc,5.421264 +5,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,17.0,1.0,0.049777133727215525,0.049777133727215525,dB,bcc,5.392380999999999 +6,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,19.0,1.0,0.02933675857713756,-0.02933675857713756,dB,bcc,5.388117 +7,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,21.0,1.0,0.07675452570908801,0.07675452570908801,dB,bcc,5.393835 +8,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,23.0,1.0,0.1590967991722428,0.1590967991722428,dB,bcc,5.3982730000000005 +9,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,25.0,1.0,0.08799819802064604,0.08799819802064604,dB,bcc,5.3944410000000005 +10,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,27.0,1.0,0.04981424155668121,0.04981424155668121,dB,bcc,5.3923830000000015 +11,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,29.0,1.0,0.014821558422019453,0.014821558422019453,dB,bcc,5.390497 +12,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,31.0,1.0,0.016881042954341147,0.016881042954341147,dB,bcc,5.390608 +13,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,33.0,1.0,0.002130680763408975,0.002130680763408975,dB,bcc,5.3898129999999975 +14,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,35.0,1.0,0.047668026306210455,-0.047668026306210455,dB,bcc,5.387129 +15,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,37.0,1.0,0.009403815328005093,0.009403815328005093,dB,bcc,5.390205 +16,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,39.0,1.0,0.02582402984240481,0.02582402984240481,dB,bcc,5.39109 +17,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,41.0,1.0,0.006880482928062682,0.006880482928062682,dB,bcc,5.390069 +18,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,43.0,1.0,0.00998502553926612,-0.00998502553926612,dB,bcc,5.3891599999999995 +19,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,45.0,1.0,0.016806827295508645,0.016806827295508645,dB,bcc,5.390604 +20,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,47.0,1.0,0.028242077609506512,-0.028242077609506512,dB,bcc,5.3881760000000005 +21,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,49.0,1.0,0.006830860039329862,-0.006830860039329862,dB,bcc,5.38933 +22,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,51.0,1.0,0.011395123056885842,-0.011395123056885842,dB,bcc,5.3890839999999995 +23,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,53.0,1.0,0.004418851127619718,-0.004418851127619718,dB,bcc,5.38946 +24,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,55.0,1.0,0.007239046162859169,-0.007239046162859169,dB,bcc,5.389308 +25,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,57.0,1.0,0.0019451416163771664,0.0019451416163771664,dB,bcc,5.389803 +26,Tetra,allKp,DMol3,Pt,PBE,5.389698162738039,0.000240698710031483,59.0,1.0,0.005303400178069836,0.005303400178069836,dB,bcc,5.389983999999999 +0,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,7.0,1.0,0.02834365109341612,-0.02834365109341612,B,fcc,228.754454 +1,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,9.0,1.0,0.8343427201679934,0.8343427201679934,B,fcc,230.72844700000002 +2,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,11.0,1.0,0.8096660440332483,0.8096660440332483,B,fcc,230.67198199999999 +3,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,13.0,1.0,0.3748041431293676,0.3748041431293676,B,fcc,229.676934 +4,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,15.0,1.0,0.0971097006781873,-0.0971097006781873,B,fcc,228.597104 +5,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,17.0,1.0,0.028578555403983668,0.028578555403983668,B,fcc,228.88470299999997 +6,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,19.0,1.0,0.06886143192432546,0.06886143192432546,B,fcc,228.97687799999997 +7,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,21.0,1.0,0.0787434650556341,0.0787434650556341,B,fcc,228.99948999999998 +8,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,23.0,1.0,0.004377800641951386,0.004377800641951386,B,fcc,228.829327 +9,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,25.0,1.0,0.0381203609457344,-0.0381203609457344,B,fcc,228.73208300000002 +10,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,27.0,1.0,0.01660622665676038,0.01660622665676038,B,fcc,228.85730800000002 +11,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,29.0,1.0,0.015216920831344426,0.015216920831344426,B,fcc,228.854129 +12,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,31.0,1.0,0.01807834611282836,-0.01807834611282836,B,fcc,228.77794300000002 +13,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,33.0,1.0,0.0153759983149682,0.0153759983149682,B,fcc,228.85449300000002 +14,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,35.0,1.0,0.001468518200978654,0.001468518200978654,B,fcc,228.82267000000002 +15,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,37.0,1.0,0.010867637542704462,0.010867637542704462,B,fcc,228.844177 +16,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,39.0,1.0,0.009400104053635078,0.009400104053635078,B,fcc,228.84081899999998 +17,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,41.0,1.0,0.0033086135944522393,-0.0033086135944522393,B,fcc,228.81173900000002 +18,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,43.0,1.0,0.006283671263104213,0.006283671263104213,B,fcc,228.833688 +19,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,45.0,1.0,0.006909492572319223,0.006909492572319223,B,fcc,228.83512000000002 +20,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,47.0,1.0,0.004287773274834568,0.004287773274834568,B,fcc,228.829121 +21,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,49.0,1.0,0.0010046122381623147,-0.0010046122381623147,B,fcc,228.81701099999998 +22,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,51.0,1.0,0.008786519473923856,0.008786519473923856,B,fcc,228.839415 +23,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,53.0,1.0,0.0006921386096138397,-0.0006921386096138397,B,fcc,228.81772599999996 +24,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,55.0,1.0,0.004800404836096063,0.004800404836096063,B,fcc,228.83029399999998 +25,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,57.0,1.0,0.0019282696097247774,0.0019282696097247774,B,fcc,228.82372200000003 +26,Tetra,allKp,DMol3,Pt,PBE,228.819309746789,0.00348569907595953,59.0,1.0,0.00016683329279573738,-0.00016683329279573738,B,fcc,228.81892799999997 +0,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,7.0,1.0,0.3881280697773555,-0.3881280697773555,E0,fcc,-5.360708 +1,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,9.0,1.0,0.3103636715853781,0.3103636715853781,E0,fcc,-5.3982980000000005 +2,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,11.0,1.0,0.17878559176123168,0.17878559176123168,E0,fcc,-5.391217 +3,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,13.0,1.0,0.049102216593981035,-0.049102216593981035,E0,fcc,-5.378953 +4,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,15.0,1.0,0.04718828604438674,-0.04718828604438674,E0,fcc,-5.379055999999999 +5,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,17.0,1.0,0.00012110404634295791,0.00012110404634295791,E0,fcc,-5.381602 +6,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,19.0,1.0,0.012663852793848622,0.012663852793848622,E0,fcc,-5.3822769999999975 +7,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,21.0,1.0,0.003725982945626727,0.003725982945626727,E0,fcc,-5.381796 +8,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,23.0,1.0,0.009801603851707509,-0.009801603851707509,E0,fcc,-5.381068 +9,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,25.0,1.0,0.002573264203124523,-0.002573264203124523,E0,fcc,-5.381457 +10,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,27.0,1.0,0.004580748045462685,0.004580748045462685,E0,fcc,-5.381842 +11,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,29.0,1.0,0.001588426153328956,-0.001588426153328956,E0,fcc,-5.38151 +12,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,31.0,1.0,0.003929739252865988,-0.003929739252865988,E0,fcc,-5.381384 +13,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,33.0,1.0,0.00045557734627446183,0.00045557734627446183,E0,fcc,-5.38162 +14,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,35.0,1.0,0.0013103424461104187,0.0013103424461104187,E0,fcc,-5.381666 +15,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,37.0,1.0,0.0008643780462017469,0.0008643780462017469,E0,fcc,-5.381642 +16,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,39.0,1.0,0.0002319511035874913,-0.0002319511035874913,E0,fcc,-5.381583 +17,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,41.0,1.0,0.001365443953358116,-0.001365443953358116,E0,fcc,-5.381522 +18,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,43.0,1.0,0.00039983179626112167,0.00039983179626112167,E0,fcc,-5.381616999999999 +19,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,45.0,1.0,0.00043699549630852447,0.00043699549630852447,E0,fcc,-5.3816190000000015 +20,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,47.0,1.0,8.968903633155374e-06,-8.968903633155374e-06,E0,fcc,-5.381595 +21,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,49.0,1.0,0.0001954314463222352,0.0001954314463222352,E0,fcc,-5.381606 +22,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,51.0,1.0,0.000101878153611378,-0.000101878153611378,E0,fcc,-5.38159 +23,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,53.0,1.0,0.00030627850356676863,-0.00030627850356676863,E0,fcc,-5.381579 +24,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,55.0,1.0,0.00032550439629834847,0.00032550439629834847,E0,fcc,-5.381613 +25,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,57.0,1.0,8.968903633155374e-06,-8.968903633155374e-06,E0,fcc,-5.381595 +26,Tetra,allKp,DMol3,Pt,PBE,-5.381595482670113,9.007448483610987e-06,59.0,1.0,0.000101878153611378,-0.000101878153611378,E0,fcc,-5.38159 +0,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,7.0,1.0,0.2883894654089765,0.2883894654089765,v0,fcc,15.9724 +1,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,9.0,1.0,0.12538710328267585,-0.12538710328267585,v0,fcc,15.9065 +2,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,11.0,1.0,0.16368812102196326,-0.16368812102196326,v0,fcc,15.9004 +3,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,13.0,1.0,0.10403899503454238,-0.10403899503454238,v0,fcc,15.9099 +4,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,15.0,1.0,0.010236172646611686,0.010236172646611686,v0,fcc,15.9281 +5,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,17.0,1.0,0.0008178895959668753,0.0008178895959668753,v0,fcc,15.9266 +6,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,19.0,1.0,0.02429753187242672,-0.02429753187242672,v0,fcc,15.9226 +7,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,21.0,1.0,0.014879248821781913,-0.014879248821781913,v0,fcc,15.9241 +8,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,23.0,1.0,0.0054609657711371,-0.0054609657711371,v0,fcc,15.9256 +9,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,25.0,1.0,0.003329431742799543,0.003329431742799543,v0,fcc,15.927 +10,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,27.0,1.0,0.000437881477460612,-0.000437881477460612,v0,fcc,15.9264 +11,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,29.0,1.0,0.0016936525508769458,-0.0016936525508769458,v0,fcc,15.9262 +12,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,31.0,1.0,0.004205194697709613,-0.004205194697709613,v0,fcc,15.9258 +13,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,33.0,1.0,0.00019000405925870834,0.00019000405925870834,v0,fcc,15.9265 +14,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,35.0,1.0,0.0010657670141687788,-0.0010657670141687788,v0,fcc,15.9263 +15,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,37.0,1.0,0.0010657670141687788,-0.0010657670141687788,v0,fcc,15.9263 +16,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,39.0,1.0,0.0023215380875851125,-0.0023215380875851125,v0,fcc,15.9261 +17,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,41.0,1.0,0.002073660669383209,0.002073660669383209,v0,fcc,15.9268 +18,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,43.0,1.0,0.00019000405925870834,0.00019000405925870834,v0,fcc,15.9265 +19,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,45.0,1.0,0.0016936525508769458,-0.0016936525508769458,v0,fcc,15.9262 +20,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,47.0,1.0,0.000437881477460612,-0.000437881477460612,v0,fcc,15.9264 +21,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,49.0,1.0,0.00019000405925870834,0.00019000405925870834,v0,fcc,15.9265 +22,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,51.0,1.0,0.00019000405925870834,0.00019000405925870834,v0,fcc,15.9265 +23,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,53.0,1.0,0.0008178895959668753,0.0008178895959668753,v0,fcc,15.9266 +24,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,55.0,1.0,0.000437881477460612,-0.000437881477460612,v0,fcc,15.9264 +25,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,57.0,1.0,0.0010657670141687788,-0.0010657670141687788,v0,fcc,15.9263 +26,Tetra,allKp,DMol3,Pt,PBE,15.926469739061,5.64530104155671e-05,59.0,1.0,0.00019000405925870834,0.00019000405925870834,v0,fcc,15.9265 +0,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,7.0,1.0,1.2541786220931437,-1.2541786220931437,dB,fcc,5.386197 +1,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,9.0,1.0,0.580032959818185,-0.580032959818185,dB,fcc,5.422969 +2,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,11.0,1.0,0.02664759008660018,-0.02664759008660018,dB,fcc,5.4531540000000005 +3,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,13.0,1.0,1.1583139263155888,1.1583139263155888,dB,fcc,5.517789 +4,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,15.0,1.0,0.2543992119006251,0.2543992119006251,dB,fcc,5.468483999999999 +5,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,17.0,1.0,0.02862756755658528,-0.02862756755658528,dB,fcc,5.453046 +6,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,19.0,1.0,0.3696595670274312,0.3696595670274312,dB,fcc,5.474771 +7,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,21.0,1.0,0.01568359489633539,0.01568359489633539,dB,fcc,5.455463 +8,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,23.0,1.0,0.135637229951945,0.135637229951945,dB,fcc,5.462006 +9,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,25.0,1.0,0.08743944505798465,0.08743944505798465,dB,fcc,5.459377 +10,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,27.0,1.0,0.013391954306066416,0.013391954306066416,dB,fcc,5.455337999999999 +11,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,29.0,1.0,0.03953499015956742,0.03953499015956742,dB,fcc,5.456764 +12,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,31.0,1.0,0.10716588725879116,0.10716588725879116,dB,fcc,5.460453 +13,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,33.0,1.0,0.008094467867982364,-0.008094467867982364,dB,fcc,5.4541660000000025 +14,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,35.0,1.0,0.02998343217943992,0.02998343217943992,dB,fcc,5.456243 +15,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,37.0,1.0,0.00030288986116228155,-0.00030288986116228155,dB,fcc,5.4545910000000015 +16,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,39.0,1.0,0.004592054439561852,0.004592054439561852,dB,fcc,5.454858 +17,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,41.0,1.0,0.038747452403058213,-0.038747452403058213,dB,fcc,5.4524940000000015 +18,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,43.0,1.0,0.00968866311227173,0.00968866311227173,dB,fcc,5.455136 +19,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,45.0,1.0,0.020945201691533175,0.020945201691533175,dB,fcc,5.45575 +20,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,47.0,1.0,0.004922837291116665,-0.004922837291116665,dB,fcc,5.454339 +21,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,49.0,1.0,0.032147527503183865,-0.032147527503183865,dB,fcc,5.452854 +22,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,51.0,1.0,0.030937541271546194,-0.030937541271546194,dB,fcc,5.45292 +23,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,53.0,1.0,0.03786746241642892,-0.03786746241642892,dB,fcc,5.452542 +24,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,55.0,1.0,0.0028504075909789217,0.0028504075909789217,dB,fcc,5.454763 +25,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,57.0,1.0,0.0057837075464912974,0.0057837075464912974,dB,fcc,5.454923 +26,Tetra,allKp,DMol3,Pt,PBE,5.45460752145315,0.000495179508480501,59.0,1.0,0.008497010005342283,0.008497010005342283,dB,fcc,5.455071 +0,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,7.0,1.0,0.5477127397216924,-0.5477127397216924,B,bcc,216.27320899999998 +1,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,9.0,1.0,0.5919921938859262,-0.5919921938859262,B,bcc,216.176917 +2,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,11.0,1.0,0.3735994503293125,0.3735994503293125,B,bcc,218.27673399999998 +3,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,13.0,1.0,0.3303426928175712,0.3303426928175712,B,bcc,218.182666 +4,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,15.0,1.0,0.07831280621161925,0.07831280621161925,B,bcc,217.63459100000003 +5,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,17.0,1.0,0.14496972764201166,0.14496972764201166,B,bcc,217.77954599999998 +6,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,19.0,1.0,0.009277667247196504,-0.009277667247196504,B,bcc,217.444113 +7,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,21.0,1.0,0.01819305007425645,0.01819305007425645,B,bcc,217.503852 +8,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,23.0,1.0,0.04663864010401085,0.04663864010401085,B,bcc,217.565711 +9,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,25.0,1.0,0.05768515551635847,-0.05768515551635847,B,bcc,217.338844 +10,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,27.0,1.0,0.025695431317652204,0.025695431317652204,B,bcc,217.520167 +11,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,29.0,1.0,0.02873225177315243,0.02873225177315243,B,bcc,217.526771 +12,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,31.0,1.0,0.008026427322994743,-0.008026427322994743,B,bcc,217.446834 +13,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,33.0,1.0,0.02026511442501952,0.02026511442501952,B,bcc,217.50835800000002 +14,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,35.0,1.0,0.017532711768071845,0.017532711768071845,B,bcc,217.502416 +15,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,37.0,1.0,0.002964446769677425,-0.002964446769677425,B,bcc,217.457842 +16,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,39.0,1.0,9.122735611655324e-05,9.122735611655324e-05,B,bcc,217.46448700000002 +17,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,41.0,1.0,0.01144445979508348,-0.01144445979508348,B,bcc,217.43940099999998 +18,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,43.0,1.0,0.00017870202113412254,-0.00017870202113412254,B,bcc,217.4639 +19,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,45.0,1.0,0.00112955875960405,0.00112955875960405,B,bcc,217.46674500000003 +20,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,47.0,1.0,0.007130188215219241,-0.007130188215219241,B,bcc,217.44878300000002 +21,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,49.0,1.0,0.0025256500531874518,0.0025256500531874518,B,bcc,217.469781 +22,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,51.0,1.0,0.004215122850501058,0.004215122850501058,B,bcc,217.47345499999997 +23,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,53.0,1.0,0.0085649065406482,-0.0085649065406482,B,bcc,217.445663 +24,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,55.0,1.0,0.0026617643558527,0.0026617643558527,B,bcc,217.470077 +25,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,57.0,1.0,0.004449288267377193,-0.004449288267377193,B,bcc,217.454613 +26,Tetra,allKp,DMol3,Rh,PBE,217.464288613079,0.00530755719781479,59.0,1.0,0.003754357542141613,0.003754357542141613,B,bcc,217.47245299999997 +0,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,7.0,1.0,0.6262334304326175,0.6262334304326175,E0,bcc,-5.826029 +1,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,9.0,1.0,0.08315553063412384,-0.08315553063412384,E0,bcc,-5.784957 +2,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,11.0,1.0,0.13377876404346906,0.13377876404346906,E0,bcc,-5.797517 +3,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,13.0,1.0,0.08115147137764551,0.08115147137764551,E0,bcc,-5.79447 +4,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,15.0,1.0,0.04032084457687666,0.04032084457687666,E0,bcc,-5.7921059999999995 +5,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,17.0,1.0,0.037125554408454865,0.037125554408454865,E0,bcc,-5.791921 +6,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,19.0,1.0,0.005656790170874481,-0.005656790170874481,E0,bcc,-5.7894440000000005 +7,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,21.0,1.0,0.0116841359323349,0.0116841359323349,E0,bcc,-5.7904480000000005 +8,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,23.0,1.0,0.005587176854206005,0.005587176854206005,E0,bcc,-5.790095 +9,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,25.0,1.0,0.00591586775210326,-0.00591586775210326,E0,bcc,-5.789429 +10,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,27.0,1.0,0.006761661889080144,0.006761661889080144,E0,bcc,-5.790163 +11,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,29.0,1.0,0.003341837816946169,0.003341837816946169,E0,bcc,-5.7899650000000005 +12,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,31.0,1.0,0.000854693037192846,0.000854693037192846,E0,bcc,-5.789821 +13,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,33.0,1.0,0.003324565978195539,0.003324565978195539,E0,bcc,-5.789964 +14,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,35.0,1.0,0.0008892367146941075,0.0008892367146941075,E0,bcc,-5.789823 +15,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,37.0,1.0,0.0008028775209562946,0.0008028775209562946,E0,bcc,-5.789818 +16,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,39.0,1.0,0.0007510620047044026,0.0007510620047044026,E0,bcc,-5.789815 +17,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,41.0,1.0,0.00018161728769158824,-0.00018161728769158824,E0,bcc,-5.789761 +18,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,43.0,1.0,0.0006128872947146979,0.0006128872947146979,E0,bcc,-5.789807 +19,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,45.0,1.0,0.00035380971347057864,0.00035380971347057864,E0,bcc,-5.789791999999999 +20,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,47.0,1.0,0.00018109132601029355,0.00018109132601029355,E0,bcc,-5.789782 +21,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,49.0,1.0,0.0006992464884678513,0.0006992464884678513,E0,bcc,-5.789812 +22,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,51.0,1.0,0.00040562522973781103,0.00040562522973781103,E0,bcc,-5.789795 +23,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,53.0,1.0,0.00019836316476092413,0.00019836316476092413,E0,bcc,-5.789783 +24,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,55.0,1.0,0.00040562522973781103,0.00040562522973781103,E0,bcc,-5.789795 +25,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,57.0,1.0,0.0001638194872596629,0.0001638194872596629,E0,bcc,-5.789781 +26,Tetra,allKp,DMol3,Rh,PBE,-5.78977151522599,6.59005985597975e-06,59.0,1.0,0.0002674505197634468,0.0002674505197634468,E0,bcc,-5.7897870000000005 +0,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,7.0,1.0,0.0724650115275907,-0.0724650115275907,v0,bcc,14.7302 +1,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,9.0,1.0,0.1229100008733301,0.1229100008733301,v0,bcc,14.759 +2,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,11.0,1.0,0.06568115693034036,-0.06568115693034036,v0,bcc,14.7312 +3,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,13.0,1.0,0.06432438601088065,-0.06432438601088065,v0,bcc,14.7314 +4,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,15.0,1.0,0.00462646555505111,-0.00462646555505111,v0,bcc,14.7402 +5,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,17.0,1.0,0.027691571185709512,-0.027691571185709512,v0,bcc,14.7368 +6,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,19.0,1.0,0.028369956645433337,-0.028369956645433337,v0,bcc,14.7367 +7,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,21.0,1.0,0.002157389042199235,0.002157389042199235,v0,bcc,14.7412 +8,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,23.0,1.0,0.006661621934222597,-0.006661621934222597,v0,bcc,14.7399 +9,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,25.0,1.0,0.013689941857540487,0.013689941857540487,v0,bcc,14.7429 +10,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,27.0,1.0,0.0005561527966960827,-0.0005561527966960827,v0,bcc,14.7408 +11,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,29.0,1.0,0.00462646555505111,-0.00462646555505111,v0,bcc,14.7402 +12,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,31.0,1.0,0.002157389042199235,0.002157389042199235,v0,bcc,14.7412 +13,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,33.0,1.0,0.0012345382564199119,-0.0012345382564199119,v0,bcc,14.7407 +14,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,35.0,1.0,0.003269694635603451,-0.003269694635603451,v0,bcc,14.7404 +15,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,37.0,1.0,0.00012223266302774672,0.00012223266302774672,v0,bcc,14.7409 +16,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,39.0,1.0,0.0005561527966960827,-0.0005561527966960827,v0,bcc,14.7408 +17,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,41.0,1.0,0.00012223266302774672,0.00012223266302774672,v0,bcc,14.7409 +18,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,43.0,1.0,0.0005561527966960827,-0.0005561527966960827,v0,bcc,14.7408 +19,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,45.0,1.0,0.00012223266302774672,0.00012223266302774672,v0,bcc,14.7409 +20,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,47.0,1.0,0.0014790035824754054,0.0014790035824754054,v0,bcc,14.7411 +21,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,49.0,1.0,0.00012223266302774672,0.00012223266302774672,v0,bcc,14.7409 +22,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,51.0,1.0,0.0005561527966960827,-0.0005561527966960827,v0,bcc,14.7408 +23,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,53.0,1.0,0.00012223266302774672,0.00012223266302774672,v0,bcc,14.7409 +24,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,55.0,1.0,0.00012223266302774672,0.00012223266302774672,v0,bcc,14.7409 +25,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,57.0,1.0,0.0005561527966960827,-0.0005561527966960827,v0,bcc,14.7408 +26,Tetra,allKp,DMol3,Rh,PBE,14.7408819818274,3.66378366745371e-05,59.0,1.0,0.00012223266302774672,0.00012223266302774672,v0,bcc,14.7409 +0,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,7.0,1.0,2.1852131235381296,-2.1852131235381296,dB,bcc,5.006222 +1,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,9.0,1.0,0.18875453200206765,-0.18875453200206765,dB,bcc,5.108402 +2,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,11.0,1.0,0.3183318824247892,0.3183318824247892,dB,bcc,5.134355 +3,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,13.0,1.0,0.004287265652817113,0.004287265652817113,dB,bcc,5.118282 +4,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,15.0,1.0,0.13230739096714034,-0.13230739096714034,dB,bcc,5.1112910000000005 +5,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,17.0,1.0,0.0035838744872787954,0.0035838744872787954,dB,bcc,5.118246 +6,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,19.0,1.0,1.1181853308658845,1.1181853308658845,dB,bcc,5.175292 +7,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,21.0,1.0,0.07826350308117908,-0.07826350308117908,dB,bcc,5.114057 +8,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,23.0,1.0,0.002841406034760342,0.002841406034760342,dB,bcc,5.118208 +9,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,25.0,1.0,0.17365116058636235,-0.17365116058636235,dB,bcc,5.109175 +10,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,27.0,1.0,0.05124155913818109,-0.05124155913818109,dB,bcc,5.11544 +11,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,29.0,1.0,0.023125451159912824,-0.023125451159912824,dB,bcc,5.116879 +12,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,31.0,1.0,3.0774557880487785e-05,-3.0774557880487785e-05,dB,bcc,5.118061 +13,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,33.0,1.0,0.0441685701957657,-0.0441685701957657,dB,bcc,5.1158019999999995 +14,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,35.0,1.0,0.03293091700526514,0.03293091700526514,dB,bcc,5.119748 +15,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,37.0,1.0,0.02466607081011181,0.02466607081011181,dB,bcc,5.119325 +16,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,39.0,1.0,0.010112714597349816,-0.010112714597349816,dB,bcc,5.117545 +17,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,41.0,1.0,0.008569161761842706,-0.008569161761842706,dB,bcc,5.117624 +18,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,43.0,1.0,0.015170290075275096,0.015170290075275096,dB,bcc,5.118839 +19,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,45.0,1.0,0.023262221664325945,-0.023262221664325945,dB,bcc,5.116872 +20,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,47.0,1.0,0.03697834939246198,-0.03697834939246198,dB,bcc,5.116169999999999 +21,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,49.0,1.0,0.010581642041042028,-0.010581642041042028,dB,bcc,5.117521 +22,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,51.0,1.0,0.0053452855864327175,-0.0053452855864327175,dB,bcc,5.117789 +23,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,53.0,1.0,0.01968371672083867,0.01968371672083867,dB,bcc,5.11907 +24,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,55.0,1.0,0.03652896059222513,-0.03652896059222513,dB,bcc,5.116193 +25,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,57.0,1.0,0.009406390246503374,0.009406390246503374,dB,bcc,5.118544 +26,Tetra,allKp,DMol3,Rh,PBE,5.1180625750611295,0.000466619094534662,59.0,1.0,1.123591439041998e-05,-1.123591439041998e-05,dB,bcc,5.118062 +0,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,7.0,1.0,1.0485014632790723,1.0485014632790723,B,fcc,244.54423599999998 +1,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,9.0,1.0,2.0167488801547893,-2.0167488801547893,B,fcc,237.126122 +2,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,11.0,1.0,0.8956072022878668,-0.8956072022878668,B,fcc,239.839361 +3,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,13.0,1.0,0.008224458253415825,0.008224458253415825,B,fcc,242.02669500000002 +4,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,15.0,1.0,0.1073421333089678,-0.1073421333089678,B,fcc,241.747016 +5,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,17.0,1.0,0.0655280174834241,-0.0655280174834241,B,fcc,241.848209 +6,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,19.0,1.0,0.002372765017578477,-0.002372765017578477,B,fcc,242.00104900000002 +7,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,21.0,1.0,0.053724216502397296,-0.053724216502397296,B,fcc,241.876775 +8,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,23.0,1.0,0.03066907837538198,-0.03066907837538198,B,fcc,241.93257000000003 +9,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,25.0,1.0,0.045090574491004336,-0.045090574491004336,B,fcc,241.897669 +10,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,27.0,1.0,0.02431925657061409,-0.02431925657061409,B,fcc,241.94793700000002 +11,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,29.0,1.0,0.002403755883410389,-0.002403755883410389,B,fcc,242.000974 +12,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,31.0,1.0,0.013969547014790326,-0.013969547014790326,B,fcc,241.972984 +13,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,33.0,1.0,0.017504158566694846,-0.017504158566694846,B,fcc,241.96443 +14,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,35.0,1.0,0.01596163987096267,-0.01596163987096267,B,fcc,241.96816299999998 +15,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,37.0,1.0,0.0035276912845343053,-0.0035276912845343053,B,fcc,241.998254 +16,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,39.0,1.0,0.004083047600377,-0.004083047600377,B,fcc,241.99691 +17,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,41.0,1.0,0.02464899938314973,-0.02464899938314973,B,fcc,241.94713900000002 +18,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,43.0,1.0,0.006864374506604049,-0.006864374506604049,B,fcc,241.990179 +19,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,45.0,1.0,0.005934026662094984,0.005934026662094984,B,fcc,242.021152 +20,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,47.0,1.0,0.02145900625938157,-0.02145900625938157,B,fcc,241.954859 +21,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,49.0,1.0,0.0013690741759143244,-0.0013690741759143244,B,fcc,242.00347799999997 +22,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,51.0,1.0,0.008060621928025917,-0.008060621928025917,B,fcc,241.987284 +23,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,53.0,1.0,0.010869634007725249,-0.010869634007725249,B,fcc,241.98048599999998 +24,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,55.0,1.0,0.004940048343739564,-0.004940048343739564,B,fcc,241.994836 +25,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,57.0,1.0,0.0029322534488560306,-0.0029322534488560306,B,fcc,241.99969500000003 +26,Tetra,allKp,DMol3,Rh,PBE,242.006791252483,0.00588137003776002,59.0,1.0,0.0007802477249553135,-0.0007802477249553135,B,fcc,242.00490299999998 +0,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,7.0,1.0,0.597985515504735,0.597985515504735,E0,fcc,-6.176549 +1,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,9.0,1.0,0.4646979928638144,-0.4646979928638144,E0,fcc,-6.111301999999999 +2,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,11.0,1.0,0.18265452244494465,-0.18265452244494465,E0,fcc,-6.1286190000000005 +3,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,13.0,1.0,0.07220580123201224,0.07220580123201224,E0,fcc,-6.144267 +4,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,15.0,1.0,0.04265073011831348,-0.04265073011831348,E0,fcc,-6.137215 +5,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,17.0,1.0,0.013659716816612162,-0.013659716816612162,E0,fcc,-6.1389949999999995 +6,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,19.0,1.0,0.011226950781692968,0.011226950781692968,E0,fcc,-6.140523 +7,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,21.0,1.0,0.02229187246262972,-0.02229187246262972,E0,fcc,-6.138465 +8,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,23.0,1.0,0.004327216467256779,-0.004327216467256779,E0,fcc,-6.139568 +9,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,25.0,1.0,0.004321226264887602,0.004321226264887602,E0,fcc,-6.140099 +10,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,27.0,1.0,0.0063305280605960934,-0.0063305280605960934,E0,fcc,-6.139444999999999 +11,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,29.0,1.0,0.0035942975916508327,-0.0035942975916508327,E0,fcc,-6.139613 +12,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,31.0,1.0,9.257407487490323e-05,-9.257407487490323e-05,E0,fcc,-6.139828 +13,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,33.0,1.0,0.003317417127523709,-0.003317417127523709,E0,fcc,-6.13963 +14,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,35.0,1.0,0.0012326701035791912,-0.0012326701035791912,E0,fcc,-6.1397580000000005 +15,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,37.0,1.0,0.0005589093701113749,0.0005589093701113749,E0,fcc,-6.139868 +16,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,39.0,1.0,0.001884153548565469,-0.001884153548565469,E0,fcc,-6.139718 +17,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,41.0,1.0,0.0019493018930727766,-0.0019493018930727766,E0,fcc,-6.139714 +18,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,43.0,1.0,0.0004611868533648798,0.0004611868533648798,E0,fcc,-6.139862 +19,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,45.0,1.0,0.00020658367773375932,-0.00020658367773375932,E0,fcc,-6.1398209999999995 +20,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,47.0,1.0,0.0014444022232134742,-0.0014444022232134742,E0,fcc,-6.139745 +21,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,49.0,1.0,0.0002657418198718895,0.0002657418198718895,E0,fcc,-6.13985 +22,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,51.0,1.0,0.00033688036676283984,-0.00033688036676283984,E0,fcc,-6.1398129999999975 +23,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,53.0,1.0,0.000792918778227196,-0.000792918778227196,E0,fcc,-6.139785 +24,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,55.0,1.0,0.00018430638922328952,0.00018430638922328952,E0,fcc,-6.1398449999999976 +25,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,57.0,1.0,0.00025544493611423985,-0.00025544493611423985,E0,fcc,-6.139818 +26,Tetra,allKp,DMol3,Rh,PBE,-6.139833683894231,1.40943233707191e-05,59.0,1.0,0.00041831579735357644,-0.00041831579735357644,E0,fcc,-6.139808 +0,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,7.0,1.0,0.27731413211546463,-0.27731413211546463,v0,fcc,14.2556 +1,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,9.0,1.0,0.2207536611583003,0.2207536611583003,v0,fcc,14.3268 +2,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,11.0,1.0,0.15849518699907658,0.15849518699907658,v0,fcc,14.3179 +3,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,13.0,1.0,0.015090836407614187,0.015090836407614187,v0,fcc,14.2974 +4,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,15.0,1.0,0.034677772098159275,0.034677772098159275,v0,fcc,14.3002 +5,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,17.0,1.0,0.02208617058281596,0.02208617058281596,v0,fcc,14.2984 +6,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,19.0,1.0,0.010194102484977915,0.010194102484977915,v0,fcc,14.2967 +7,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,21.0,1.0,0.00809550223242484,0.00809550223242484,v0,fcc,14.2964 +8,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,23.0,1.0,0.007395968814907149,0.007395968814907149,v0,fcc,14.2963 +9,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,25.0,1.0,0.006696435397389454,0.006696435397389454,v0,fcc,14.2962 +10,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,27.0,1.0,0.003898301727306261,0.003898301727306261,v0,fcc,14.2958 +11,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,29.0,1.0,0.003898301727306261,0.003898301727306261,v0,fcc,14.2958 +12,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,31.0,1.0,0.003198768309788569,0.003198768309788569,v0,fcc,14.2957 +13,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,33.0,1.0,0.0024992348922708765,0.0024992348922708765,v0,fcc,14.2956 +14,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,35.0,1.0,0.003198768309788569,0.003198768309788569,v0,fcc,14.2957 +15,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,37.0,1.0,0.0017997014747531844,0.0017997014747531844,v0,fcc,14.2955 +16,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,39.0,1.0,0.0002988987778123185,-0.0002988987778123185,v0,fcc,14.2952 +17,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,41.0,1.0,0.003898301727306261,0.003898301727306261,v0,fcc,14.2958 +18,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,43.0,1.0,0.0024992348922708765,0.0024992348922708765,v0,fcc,14.2956 +19,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,45.0,1.0,0.0002988987778123185,-0.0002988987778123185,v0,fcc,14.2952 +20,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,47.0,1.0,0.0017997014747531844,0.0017997014747531844,v0,fcc,14.2955 +21,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,49.0,1.0,0.001100168057235492,0.001100168057235492,v0,fcc,14.2954 +22,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,51.0,1.0,0.001100168057235492,0.001100168057235492,v0,fcc,14.2954 +23,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,53.0,1.0,0.001100168057235492,0.001100168057235492,v0,fcc,14.2954 +24,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,55.0,1.0,0.001100168057235492,0.001100168057235492,v0,fcc,14.2954 +25,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,57.0,1.0,0.00040063463970537366,0.00040063463970537366,v0,fcc,14.2953 +26,Tetra,allKp,DMol3,Rh,PBE,14.2952427283058,3.49488613846095e-05,59.0,1.0,0.00040063463970537366,0.00040063463970537366,v0,fcc,14.2953 +0,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,7.0,1.0,2.203724107935797,2.203724107935797,dB,fcc,5.535963 +1,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,9.0,1.0,2.5035125450636104,-2.5035125450636104,dB,fcc,5.280991 +2,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,11.0,1.0,1.3707162623682996,-1.3707162623682996,dB,fcc,5.34235 +3,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,13.0,1.0,0.7161169730133875,-0.7161169730133875,dB,fcc,5.377807 +4,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,15.0,1.0,0.815865963632565,-0.815865963632565,dB,fcc,5.372404 +5,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,17.0,1.0,0.3456444587147996,-0.3456444587147996,dB,fcc,5.397874 +6,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,19.0,1.0,0.14452184094587775,-0.14452184094587775,dB,fcc,5.408768 +7,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,21.0,1.0,0.0035292365855713577,-0.0035292365855713577,dB,fcc,5.416405 +8,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,23.0,1.0,0.05431758994359165,-0.05431758994359165,dB,fcc,5.413654 +9,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,25.0,1.0,0.16903908313397373,-0.16903908313397373,dB,fcc,5.40744 +10,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,27.0,1.0,0.12860778765812825,-0.12860778765812825,dB,fcc,5.40963 +11,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,29.0,1.0,0.021935630005397912,-0.021935630005397912,dB,fcc,5.415408 +12,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,31.0,1.0,0.08727186502322239,-0.08727186502322239,dB,fcc,5.411869 +13,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,33.0,1.0,0.007738522141992197,-0.007738522141992197,dB,fcc,5.416176999999999 +14,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,35.0,1.0,0.005941655916301743,0.005941655916301743,dB,fcc,5.416918 +15,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,37.0,1.0,0.040175867416429166,-0.040175867416429166,dB,fcc,5.41442 +16,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,39.0,1.0,0.0002923516169664573,0.0002923516169664573,dB,fcc,5.4166120000000015 +17,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,41.0,1.0,0.0933827137914918,-0.0933827137914918,dB,fcc,5.411538 +18,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,43.0,1.0,0.08217641408654902,-0.08217641408654902,dB,fcc,5.412145 +19,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,45.0,1.0,0.015080236400567847,0.015080236400567847,dB,fcc,5.417413 +20,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,47.0,1.0,0.053209883218235,-0.053209883218235,dB,fcc,5.413714 +21,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,49.0,1.0,0.05488990508502865,-0.05488990508502865,dB,fcc,5.413623 +22,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,51.0,1.0,0.03635427921394055,-0.03635427921394055,dB,fcc,5.414626999999999 +23,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,53.0,1.0,0.035708116957452435,-0.035708116957452435,dB,fcc,5.414662 +24,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,55.0,1.0,0.040157405637670486,-0.040157405637670486,dB,fcc,5.414421 +25,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,57.0,1.0,0.007917066243201423,0.007917066243201423,dB,fcc,5.417025 +26,Tetra,allKp,DMol3,Rh,PBE,5.41659616449353,0.00058490955511234,59.0,1.0,0.009141617327422082,-0.009141617327422082,dB,fcc,5.416101 +0,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,7.0,1.0,0.3988451534034965,-0.3988451534034965,B,hcp,291.622759 +1,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,9.0,1.0,0.0595825678472099,0.0595825678472099,B,hcp,292.964992 +2,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,11.0,1.0,0.0765411075666945,0.0765411075666945,B,hcp,293.0146450000001 +3,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,13.0,1.0,0.11393977348657496,-0.11393977348657496,B,hcp,292.456935 +4,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,15.0,1.0,0.0063574041479711185,-0.0063574041479711185,B,hcp,292.77192599999995 +5,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,17.0,1.0,0.0038635544979342047,0.0038635544979342047,B,hcp,292.801852 +6,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,19.0,1.0,0.028808266128474314,-0.028808266128474314,B,hcp,292.706192 +7,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,21.0,1.0,0.00808150356799875,-0.00808150356799875,B,hcp,292.76687799999996 +8,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,23.0,1.0,0.0038102740879629392,0.0038102740879629392,B,hcp,292.801696 +9,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,25.0,1.0,0.007414215664906567,0.007414215664906567,B,hcp,292.812248 +10,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,27.0,1.0,0.013679703566821322,-0.013679703566821322,B,hcp,292.750487 +11,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,29.0,1.0,0.00206704836689111,0.00206704836689111,B,hcp,292.796592 +12,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,31.0,1.0,0.002772672257907132,0.002772672257907132,B,hcp,292.798658 +13,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,33.0,1.0,0.0071859828312061235,-0.0071859828312061235,B,hcp,292.7695 +14,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,35.0,1.0,0.002486377438993787,-0.002486377438993787,B,hcp,292.78326 +15,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,37.0,1.0,0.0018703206993213254,0.0018703206993213254,B,hcp,292.796016 +16,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,39.0,1.0,0.0001956613513762921,-0.0001956613513762921,B,hcp,292.789967 +17,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,41.0,1.0,0.002213827649521656,-0.002213827649521656,B,hcp,292.784058 +18,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,43.0,1.0,0.0013842243430011733,-0.0013842243430011733,B,hcp,292.786487 +19,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,45.0,1.0,0.002757985991054709,0.002757985991054709,B,hcp,292.798615 +20,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,47.0,1.0,0.004321819254224999,-0.004321819254224999,B,hcp,292.77788599999997 +21,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,49.0,1.0,0.0022370524436106987,-0.0022370524436106987,B,hcp,292.78399 +22,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,51.0,1.0,0.002964618350235281,0.002964618350235281,B,hcp,292.79922 +23,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,53.0,1.0,0.001025947740074151,-0.001025947740074151,B,hcp,292.787536 +24,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,55.0,1.0,0.00019676936051662638,0.00019676936051662638,B,hcp,292.791116 +25,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,57.0,1.0,0.0010751296569617432,-0.0010751296569617432,B,hcp,292.787392 +26,Tetra,allKp,DMol3,Ru,PBE,292.790539877927,0.00217072806117505,59.0,1.0,7.57804289360906e-05,-7.57804289360906e-05,B,hcp,292.790318 +0,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,7.0,1.0,0.23265609983723176,-0.23265609983723176,E0,hcp,-6.864761 +1,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,9.0,1.0,0.01799900385044662,0.01799900385044662,E0,hcp,-6.882008 +2,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,11.0,1.0,0.002115025459200096,-0.002115025459200096,E0,hcp,-6.880624000000001 +3,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,13.0,1.0,0.051949567730040266,-0.051949567730040266,E0,hcp,-6.8771949999999995 +4,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,15.0,1.0,0.014598221438279019,0.014598221438279019,E0,hcp,-6.881774000000001 +5,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,17.0,1.0,0.009657786450332136,-0.009657786450332136,E0,hcp,-6.880105 +6,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,19.0,1.0,0.00605353842374491,-0.00605353842374491,E0,hcp,-6.8803529999999995 +7,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,21.0,1.0,0.00035562842997641773,0.00035562842997641773,E0,hcp,-6.880794 +8,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,23.0,1.0,0.0035828845345813026,-0.0035828845345813026,E0,hcp,-6.8805229999999975 +9,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,25.0,1.0,0.00031290144592584484,-0.00031290144592584484,E0,hcp,-6.880748 +10,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,27.0,1.0,0.0028852881422928105,-0.0028852881422928105,E0,hcp,-6.8805710000000015 +11,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,29.0,1.0,0.0008788257241540624,0.0008788257241540624,E0,hcp,-6.8808300000000004 +12,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,31.0,1.0,0.0002693016714174951,-0.0002693016714174951,E0,hcp,-6.880750999999999 +13,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,33.0,1.0,0.0019696928775012946,-0.0019696928775012946,E0,hcp,-6.880634 +14,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,35.0,1.0,3.589675020549314e-05,3.589675020549314e-05,E0,hcp,-6.880772 +15,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,37.0,1.0,0.0003855677367946078,-0.0003855677367946078,E0,hcp,-6.880742999999999 +16,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,39.0,1.0,0.0005890333511884197,-0.0005890333511884197,E0,hcp,-6.880729 +17,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,41.0,1.0,0.00010943583151912471,-0.00010943583151912471,E0,hcp,-6.880762 +18,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,43.0,1.0,0.0005454335766542538,-0.0005454335766542538,E0,hcp,-6.880732000000001 +19,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,45.0,1.0,0.00018122933193011096,0.00018122933193011096,E0,hcp,-6.880782000000001 +20,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,47.0,1.0,0.0005163670603196568,-0.0005163670603196568,E0,hcp,-6.8807339999999995 +21,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,49.0,1.0,0.00028383492957833966,-0.00028383492957833966,E0,hcp,-6.88075 +22,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,51.0,1.0,0.00022482910643846065,0.00022482910643846065,E0,hcp,-6.880785 +23,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,53.0,1.0,0.0005599668348409147,-0.0005599668348409147,E0,hcp,-6.880731 +24,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,55.0,1.0,2.1363492044648666e-05,2.1363492044648666e-05,E0,hcp,-6.880771000000001 +25,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,57.0,1.0,8.036931517161952e-05,-8.036931517161952e-05,E0,hcp,-6.880764 +26,Tetra,allKp,DMol3,Ru,PBE,-6.88076953002735,7.67941081392196e-06,59.0,1.0,0.00013850234785372178,-0.00013850234785372178,E0,hcp,-6.88076 +0,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,7.0,1.0,0.1385147295171974,0.1385147295171974,v0,hcp,14.0956 +1,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,9.0,1.0,0.021294781942286192,0.021294781942286192,v0,hcp,14.0791 +2,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,11.0,1.0,0.0028596314974009725,-0.0028596314974009725,v0,hcp,14.0757 +3,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,13.0,1.0,0.013480118770617873,0.013480118770617873,v0,hcp,14.078 +4,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,15.0,1.0,0.0042804793467906225,-0.0042804793467906225,v0,hcp,14.0755 +5,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,17.0,1.0,0.007086303448351823,0.007086303448351823,v0,hcp,14.0771 +6,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,19.0,1.0,0.0014029120507806005,0.0014029120507806005,v0,hcp,14.0763 +7,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,21.0,1.0,0.0007283597233164957,-0.0007283597233164957,v0,hcp,14.076 +8,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,23.0,1.0,0.0021133359754754253,0.0021133359754754253,v0,hcp,14.0764 +9,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,25.0,1.0,0.0014029120507806005,0.0014029120507806005,v0,hcp,14.0763 +10,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,27.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +11,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,29.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +12,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,31.0,1.0,0.000692488126085775,0.000692488126085775,v0,hcp,14.0762 +13,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,33.0,1.0,0.000692488126085775,0.000692488126085775,v0,hcp,14.0762 +14,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,35.0,1.0,0.0007283597233164957,-0.0007283597233164957,v0,hcp,14.076 +15,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,37.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +16,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,39.0,1.0,0.000692488126085775,0.000692488126085775,v0,hcp,14.0762 +17,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,41.0,1.0,0.0007283597233164957,-0.0007283597233164957,v0,hcp,14.076 +18,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,43.0,1.0,0.000692488126085775,0.000692488126085775,v0,hcp,14.0762 +19,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,45.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +20,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,47.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +21,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,49.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +22,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,51.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +23,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,53.0,1.0,0.000692488126085775,0.000692488126085775,v0,hcp,14.0762 +24,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,55.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +25,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,57.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +26,Tetra,allKp,DMol3,Ru,PBE,14.076102524661401,1.79887372716445e-05,59.0,1.0,1.7935798609050516e-05,-1.7935798609050516e-05,v0,hcp,14.0761 +0,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,7.0,1.0,0.3937685876539953,-0.3937685876539953,dB,hcp,4.768552 +1,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,9.0,1.0,0.013646026498771214,-0.013646026498771214,dB,hcp,4.78675 +2,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,11.0,1.0,0.06365225857952339,-0.06365225857952339,dB,hcp,4.784356 +3,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,13.0,1.0,0.009656389770485514,-0.009656389770485514,dB,hcp,4.7869410000000014 +4,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,15.0,1.0,0.05236052879580052,0.05236052879580052,dB,hcp,4.78991 +5,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,17.0,1.0,0.00731691692462765,-0.00731691692462765,dB,hcp,4.787053 +6,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,19.0,1.0,0.08040455520806641,-0.08040455520806641,dB,hcp,4.7835540000000005 +7,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,21.0,1.0,0.027378300905827758,0.027378300905827758,dB,hcp,4.788714 +8,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,23.0,1.0,0.0010713599521715623,-0.0010713599521715623,dB,hcp,4.787351999999999 +9,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,25.0,1.0,0.025949147090062817,-0.025949147090062817,dB,hcp,4.786161 +10,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,27.0,1.0,0.005383078524447554,0.005383078524447554,dB,hcp,4.787661 +11,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,29.0,1.0,0.019231922246029824,0.019231922246029824,dB,hcp,4.788323999999999 +12,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,31.0,1.0,0.010730445029329138,0.010730445029329138,dB,hcp,4.787917 +13,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,33.0,1.0,0.021875957760182408,-0.021875957760182408,dB,hcp,4.786356 +14,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,35.0,1.0,0.013404128281732822,0.013404128281732822,dB,hcp,4.788044999999999 +15,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,37.0,1.0,0.01676712049771496,0.01676712049771496,dB,hcp,4.788206 +16,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,39.0,1.0,0.03029388237526983,-0.03029388237526983,dB,hcp,4.785953 +17,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,41.0,1.0,0.001685875901938151,0.001685875901938151,dB,hcp,4.787484 +18,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,43.0,1.0,0.0020948793222216235,-0.0020948793222216235,dB,hcp,4.787303 +19,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,45.0,1.0,0.008140314378520164,0.008140314378520164,dB,hcp,4.787793 +20,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,47.0,1.0,0.0016144518627876534,-0.0016144518627876534,dB,hcp,4.787326 +21,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,49.0,1.0,0.01027090572030776,0.01027090572030776,dB,hcp,4.787895 +22,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,51.0,1.0,0.00032814612530516286,0.00032814612530516286,dB,hcp,4.787419 +23,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,53.0,1.0,0.015337966681950026,-0.015337966681950026,dB,hcp,4.786669 +24,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,55.0,1.0,0.007525798428735023,-0.007525798428735023,dB,hcp,4.787043 +25,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,57.0,1.0,0.014260542448556356,0.014260542448556356,dB,hcp,4.788086 +26,Tetra,allKp,DMol3,Ru,PBE,4.7874032903216,0.00023149403152211402,59.0,1.0,0.003745043204575249,-0.003745043204575249,dB,hcp,4.787224 +0,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,7.0,1.0,0.07152910274238622,-0.07152910274238622,B,hcp,56.56134 +1,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,9.0,1.0,0.1835156691588453,0.1835156691588453,B,hcp,56.7057 +2,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,11.0,1.0,0.13339007849397186,0.13339007849397186,B,hcp,56.677328 +3,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,13.0,1.0,0.03952660206199124,-0.03952660206199124,B,hcp,56.57945400000001 +4,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,15.0,1.0,0.05141844439830001,-0.05141844439830001,B,hcp,56.572722999999996 +5,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,17.0,1.0,0.005186720990769729,-0.005186720990769729,B,hcp,56.598891 +6,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,19.0,1.0,0.011988621599108087,-0.011988621599108087,B,hcp,56.595041 +7,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,21.0,1.0,0.010231509297275152,0.010231509297275152,B,hcp,56.607618 +8,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,23.0,1.0,0.019626184282184298,-0.019626184282184298,B,hcp,56.590718 +9,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,25.0,1.0,0.020712721652081108,-0.020712721652081108,B,hcp,56.590103000000006 +10,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,27.0,1.0,8.166020768144995e-05,8.166020768144995e-05,B,hcp,56.601873 +11,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,29.0,1.0,0.002495009878076379,0.002495009878076379,B,hcp,56.603239 +12,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,31.0,1.0,0.0013122877351658207,-0.0013122877351658207,B,hcp,56.601084 +13,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,33.0,1.0,0.016984926773234772,-0.016984926773234772,B,hcp,56.592213 +14,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,35.0,1.0,0.012497439099168778,-0.012497439099168778,B,hcp,56.594753000000004 +15,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,37.0,1.0,0.0036249339419993564,-0.0036249339419993564,B,hcp,56.599775 +16,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,39.0,1.0,0.0044446954698630576,-0.0044446954698630576,B,hcp,56.599311 +17,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,41.0,1.0,0.0036249339419993564,-0.0036249339419993564,B,hcp,56.599775 +18,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,43.0,1.0,0.0036249339419993564,-0.0036249339419993564,B,hcp,56.599775 +19,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,45.0,1.0,0.0036249339419993564,-0.0036249339419993564,B,hcp,56.599775 +20,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,47.0,1.0,0.0012575191848131556,-0.0012575191848131556,B,hcp,56.601115 +21,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,49.0,1.0,0.004153185443786752,-0.004153185443786752,B,hcp,56.599476 +22,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,51.0,1.0,0.0036249339419993564,-0.0036249339419993564,B,hcp,56.599775 +23,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,53.0,1.0,0.0012575191848131556,-0.0012575191848131556,B,hcp,56.601115 +24,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,55.0,1.0,0.0012575191848131556,-0.0012575191848131556,B,hcp,56.601115 +25,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,57.0,1.0,0.0012575191848131556,-0.0012575191848131556,B,hcp,56.601115 +26,Tetra,allKp,DMol3,Sc,PBE,56.6018267788307,0.000281859438882454,59.0,1.0,0.0012575191848131556,-0.0012575191848131556,B,hcp,56.601115 +0,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,7.0,1.0,0.03593795080937471,0.03593795080937471,E0,hcp,-4.543384 +1,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,9.0,1.0,0.02098777229300689,0.02098777229300689,E0,hcp,-4.5427050000000015 +2,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,11.0,1.0,0.0007439304989136343,-0.0007439304989136343,E0,hcp,-4.541718 +3,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,13.0,1.0,0.0017347376170867186,-0.0017347376170867186,E0,hcp,-4.541673 +4,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,15.0,1.0,0.00015880487540967448,0.00015880487540967448,E0,hcp,-4.541759 +5,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,17.0,1.0,0.0003696255876107556,-0.0003696255876107556,E0,hcp,-4.541735 +6,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,19.0,1.0,0.0003476076516483117,-0.0003476076516483117,E0,hcp,-4.541736 +7,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,21.0,1.0,0.00037898423501455764,0.00037898423501455764,E0,hcp,-4.541769 +8,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,23.0,1.0,0.00010541035610054057,-0.00010541035610054057,E0,hcp,-4.541747 +9,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,25.0,1.0,0.00030357177974297975,-0.00030357177974297975,E0,hcp,-4.541738 +10,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,27.0,1.0,0.00014944622802542837,-0.00014944622802542837,E0,hcp,-4.541745 +11,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,29.0,1.0,2.6697259654566957e-05,2.6697259654566957e-05,E0,hcp,-4.541753 +12,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,31.0,1.0,1.733861225076498e-05,-1.733861225076498e-05,E0,hcp,-4.5417510000000005 +13,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,33.0,1.0,0.0001714641639878723,-0.0001714641639878723,E0,hcp,-4.5417440000000004 +14,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,35.0,1.0,0.00014944622802542837,-0.00014944622802542837,E0,hcp,-4.541745 +15,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,37.0,1.0,6.137448421476449e-05,-6.137448421476449e-05,E0,hcp,-4.541748999999999 +16,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,39.0,1.0,6.137448421476449e-05,-6.137448421476449e-05,E0,hcp,-4.541748999999999 +17,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,41.0,1.0,6.137448421476449e-05,-6.137448421476449e-05,E0,hcp,-4.541748999999999 +18,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,43.0,1.0,6.137448421476449e-05,-6.137448421476449e-05,E0,hcp,-4.541748999999999 +19,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,45.0,1.0,6.137448421476449e-05,-6.137448421476449e-05,E0,hcp,-4.541748999999999 +20,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,47.0,1.0,1.733861225076498e-05,-1.733861225076498e-05,E0,hcp,-4.5417510000000005 +21,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,49.0,1.0,3.935654821320888e-05,-3.935654821320888e-05,E0,hcp,-4.54175 +22,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,51.0,1.0,6.137448421476449e-05,-6.137448421476449e-05,E0,hcp,-4.541748999999999 +23,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,53.0,1.0,1.733861225076498e-05,-1.733861225076498e-05,E0,hcp,-4.5417510000000005 +24,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,55.0,1.0,1.733861225076498e-05,-1.733861225076498e-05,E0,hcp,-4.5417510000000005 +25,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,57.0,1.0,1.733861225076498e-05,-1.733861225076498e-05,E0,hcp,-4.5417510000000005 +26,Tetra,allKp,DMol3,Sc,PBE,-4.5417517874767315,3.1029148396777896e-07,59.0,1.0,1.733861225076498e-05,-1.733861225076498e-05,E0,hcp,-4.5417510000000005 +0,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,7.0,1.0,0.027987287468150632,-0.027987287468150632,v0,hcp,25.0062 +1,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,9.0,1.0,0.008397631211249144,-0.008397631211249144,v0,hcp,25.0111 +2,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,11.0,1.0,0.015989491884080963,0.015989491884080963,v0,hcp,25.0172 +3,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,13.0,1.0,0.010792236142451141,0.010792236142451141,v0,hcp,25.0159 +4,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,15.0,1.0,0.0024007976632169164,-0.0024007976632169164,v0,hcp,25.0126 +5,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,17.0,1.0,0.0008016420503979072,-0.0008016420503979072,v0,hcp,25.013 +6,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,19.0,1.0,0.0012014309536133119,-0.0012014309536133119,v0,hcp,25.0129 +7,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,21.0,1.0,0.0007975135624068992,0.0007975135624068992,v0,hcp,25.0134 +8,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,23.0,1.0,0.0007975135624068992,0.0007975135624068992,v0,hcp,25.0134 +9,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,25.0,1.0,0.0016012198568145133,-0.0016012198568145133,v0,hcp,25.0128 +10,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,27.0,1.0,0.00040185314719670554,-0.00040185314719670554,v0,hcp,25.0131 +11,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,29.0,1.0,0.0003977246592056976,0.0003977246592056976,v0,hcp,25.0133 +12,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,31.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +13,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,33.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +14,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,35.0,1.0,0.0008016420503979072,-0.0008016420503979072,v0,hcp,25.013 +15,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,37.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +16,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,39.0,1.0,0.0003977246592056976,0.0003977246592056976,v0,hcp,25.0133 +17,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,41.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +18,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,43.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +19,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,45.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +20,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,47.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +21,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,49.0,1.0,0.0003977246592056976,0.0003977246592056976,v0,hcp,25.0133 +22,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,51.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +23,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,53.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +24,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,55.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +25,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,57.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +26,Tetra,allKp,DMol3,Sc,PBE,25.01320051633349,1.34137665456319e-05,59.0,1.0,2.064243995503972e-06,-2.064243995503972e-06,v0,hcp,25.0132 +0,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,7.0,1.0,1.166853422055414,1.166853422055414,dB,hcp,2.4196590000000002 +1,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,9.0,1.0,0.012073759808499323,-0.012073759808499323,dB,hcp,2.3914619999999998 +2,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,11.0,1.0,0.0037534949153996524,-0.0037534949153996524,dB,hcp,2.391661 +3,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,13.0,1.0,0.5867991930780634,-0.5867991930780634,dB,hcp,2.377716 +4,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,15.0,1.0,0.42739510597762825,0.42739510597762825,dB,hcp,2.401973 +5,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,17.0,1.0,0.0873742476099275,-0.0873742476099275,dB,hcp,2.3896610000000003 +6,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,19.0,1.0,0.0961314941782238,0.0961314941782238,dB,hcp,2.39405 +7,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,21.0,1.0,0.0981383922428947,0.0981383922428947,dB,hcp,2.394098 +8,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,23.0,1.0,0.14105877083982293,-0.14105877083982293,dB,hcp,2.388377 +9,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,25.0,1.0,0.1027375336411058,0.1027375336411058,dB,hcp,2.3942080000000003 +10,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,27.0,1.0,0.09864011675905776,0.09864011675905776,dB,hcp,2.39411 +11,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,29.0,1.0,0.09239149277161404,-0.09239149277161404,dB,hcp,2.389541 +12,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,31.0,1.0,0.036072915831843855,-0.036072915831843855,dB,hcp,2.390888 +13,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,33.0,1.0,0.04067205723003639,-0.04067205723003639,dB,hcp,2.390778 +14,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,35.0,1.0,0.0518124952501259,0.0518124952501259,dB,hcp,2.39299 +15,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,37.0,1.0,0.007976342926469872,-0.007976342926469872,dB,hcp,2.3915599999999997 +16,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,39.0,1.0,0.09623804739554337,-0.09623804739554337,dB,hcp,2.3894490000000004 +17,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,41.0,1.0,0.007976342926469872,-0.007976342926469872,dB,hcp,2.3915599999999997 +18,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,43.0,1.0,0.007976342926469872,-0.007976342926469872,dB,hcp,2.3915599999999997 +19,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,45.0,1.0,0.007976342926469872,-0.007976342926469872,dB,hcp,2.3915599999999997 +20,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,47.0,1.0,0.005258668463907466,-0.005258668463907466,dB,hcp,2.391625 +21,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,49.0,1.0,0.120738927935051,-0.120738927935051,dB,hcp,2.388863 +22,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,51.0,1.0,0.007976342926469872,-0.007976342926469872,dB,hcp,2.3915599999999997 +23,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,53.0,1.0,0.005258668463907466,-0.005258668463907466,dB,hcp,2.391625 +24,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,55.0,1.0,0.005258668463907466,-0.005258668463907466,dB,hcp,2.391625 +25,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,57.0,1.0,0.005258668463907466,-0.005258668463907466,dB,hcp,2.391625 +26,Tetra,allKp,DMol3,Sc,PBE,2.3917507742437003,0.000312579843987554,59.0,1.0,0.005258668463907466,-0.005258668463907466,dB,hcp,2.391625 +0,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,7.0,1.0,1.0951677686271806,-1.0951677686271806,B,bcc,205.306089 +1,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,9.0,1.0,1.2143322723433028,-1.2143322723433028,B,bcc,205.058728 +2,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,11.0,1.0,0.3543770974114289,0.3543770974114289,B,bcc,208.315046 +3,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,13.0,1.0,0.15052019509039152,0.15052019509039152,B,bcc,207.891881 +4,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,15.0,1.0,0.07361231911937806,-0.07361231911937806,B,bcc,207.426628 +5,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,17.0,1.0,0.037483017066111186,-0.037483017066111186,B,bcc,207.501625 +6,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,19.0,1.0,0.028261454176919918,0.028261454176919918,B,bcc,207.638097 +7,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,21.0,1.0,0.044367128781790346,-0.044367128781790346,B,bcc,207.487335 +8,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,23.0,1.0,0.017065258208821744,0.017065258208821744,B,bcc,207.614856 +9,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,25.0,1.0,0.02688755498949709,-0.02688755498949709,B,bcc,207.523619 +10,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,27.0,1.0,0.02102374288116568,0.02102374288116568,B,bcc,207.623073 +11,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,29.0,1.0,0.022607747537985026,-0.022607747537985026,B,bcc,207.532503 +12,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,31.0,1.0,0.012968513210200663,0.012968513210200663,B,bcc,207.60635200000002 +13,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,33.0,1.0,0.012816315024241954,-0.012816315024241954,B,bcc,207.552828 +14,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,35.0,1.0,0.007570579566101521,0.007570579566101521,B,bcc,207.595147 +15,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,37.0,1.0,0.0007895609160035112,0.0007895609160035112,B,bcc,207.581071 +16,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,39.0,1.0,0.004863214932279989,-0.004863214932279989,B,bcc,207.56933700000002 +17,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,41.0,1.0,0.0012419505679097148,-0.0012419505679097148,B,bcc,207.576854 +18,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,43.0,1.0,0.002629338567658605,0.002629338567658605,B,bcc,207.58489 +19,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,45.0,1.0,0.0014211590744335654,-0.0014211590744335654,B,bcc,207.576482 +20,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,47.0,1.0,0.0027276142002671338,0.0027276142002671338,B,bcc,207.585094 +21,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,49.0,1.0,0.0018836326396541975,-0.0018836326396541975,B,bcc,207.575522 +22,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,51.0,1.0,0.0020469436173725197,-0.0020469436173725197,B,bcc,207.575183 +23,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,53.0,1.0,0.0010651180819523202,0.0010651180819523202,B,bcc,207.58164299999999 +24,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,55.0,1.0,0.0007231130369190468,-0.0007231130369190468,B,bcc,207.577931 +25,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,57.0,1.0,0.006203906528130775,-0.006203906528130775,B,bcc,207.566554 +26,Tetra,allKp,DMol3,Ta,PBE,207.579432033935,0.00382735654739786,59.0,1.0,0.003692546024377013,0.003692546024377013,B,bcc,207.587097 +0,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,7.0,2.0,0.3780535471270003,0.3780535471270003,E0,bcc,-9.742281 +1,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,9.0,2.0,0.021939135650942042,0.021939135650942042,E0,bcc,-9.707718 +2,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,11.0,2.0,0.042556123104680335,0.042556123104680335,E0,bcc,-9.709719 +3,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,13.0,2.0,0.01950754692577128,0.01950754692577128,E0,bcc,-9.707482 +4,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,15.0,2.0,0.0027440094009073034,0.0027440094009073034,E0,bcc,-9.705855 +5,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,17.0,2.0,7.544380844650985e-05,7.544380844650985e-05,E0,bcc,-9.705596 +6,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,19.0,2.0,0.0010167104494789444,-0.0010167104494789444,E0,bcc,-9.70549 +7,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,21.0,2.0,0.0020367413129942745,-0.0020367413129942745,E0,bcc,-9.705391 +8,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,23.0,2.0,0.0017070343672161634,-0.0017070343672161634,E0,bcc,-9.705423 +9,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,25.0,2.0,0.0013773274214197498,-0.0013773274214197498,E0,bcc,-9.705455 +10,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,27.0,2.0,0.0010888338438707658,-0.0010888338438707658,E0,bcc,-9.705483000000001 +11,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,29.0,2.0,0.0010167104494789444,-0.0010167104494789444,E0,bcc,-9.70549 +12,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,31.0,2.0,0.0005530600569653207,-0.0005530600569653207,E0,bcc,-9.705535000000001 +13,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,33.0,2.0,0.0008312502924661737,-0.0008312502924661737,E0,bcc,-9.705508 +14,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,35.0,2.0,0.00043972329434437184,-0.00043972329434437184,E0,bcc,-9.705546 +15,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,37.0,2.0,0.00041911661022980807,-0.00041911661022980807,E0,bcc,-9.705548 +16,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,39.0,2.0,0.0003779032420006808,-0.0003779032420006808,E0,bcc,-9.705552 +17,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,41.0,2.0,0.00030577984762716166,-0.00030577984762716166,E0,bcc,-9.705559 +18,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,43.0,2.0,0.0002542631373316013,-0.0002542631373316013,E0,bcc,-9.705564 +19,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,45.0,2.0,0.00027486982144616496,-0.00027486982144616496,E0,bcc,-9.705561999999999 +20,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,47.0,2.0,0.00021304976912077644,-0.00021304976912077644,E0,bcc,-9.705568 +21,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,49.0,2.0,0.00020274642705434343,-0.00020274642705434343,E0,bcc,-9.705569 +22,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,51.0,2.0,0.00022335311116890703,-0.00022335311116890703,E0,bcc,-9.705567 +23,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,53.0,2.0,0.00015122971677708548,-0.00015122971677708548,E0,bcc,-9.705574 +24,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,55.0,2.0,0.00017183640089164914,-0.00017183640089164914,E0,bcc,-9.705572 +25,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,57.0,2.0,0.00015122971677708548,-0.00015122971677708548,E0,bcc,-9.705574 +26,Tetra,allKp,DMol3,Ta,PBE,-9.70558867773427,1.6386042772311e-06,59.0,2.0,9.971300649982754e-05,-9.971300649982754e-05,E0,bcc,-9.705579 +0,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,7.0,1.0,0.7033762156356096,-0.7033762156356096,v0,bcc,18.1977 +1,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,9.0,1.0,0.11837991518998907,0.11837991518998907,v0,bcc,18.3483 +2,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,11.0,1.0,0.12989301942198278,-0.12989301942198278,v0,bcc,18.3028 +3,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,13.0,1.0,0.003246752106204229,0.003246752106204229,v0,bcc,18.3272 +4,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,15.0,1.0,0.02185336875566677,-0.02185336875566677,v0,bcc,18.3226 +5,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,17.0,1.0,0.01257723713280351,-0.01257723713280351,v0,bcc,18.3243 +6,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,19.0,1.0,0.003846760311284004,-0.003846760311284004,v0,bcc,18.3259 +7,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,21.0,1.0,0.0060293795166590355,-0.0060293795166590355,v0,bcc,18.3255 +8,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,23.0,1.0,0.0011184863045652165,-0.0011184863045652165,v0,bcc,18.3264 +9,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,25.0,1.0,0.0005728315032214587,-0.0005728315032214587,v0,bcc,18.3265 +10,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,27.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +11,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,29.0,1.0,0.0016641411059089735,-0.0016641411059089735,v0,bcc,18.3263 +12,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,31.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +13,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,33.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +14,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,35.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +15,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,37.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +16,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,39.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +17,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,41.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +18,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,43.0,1.0,0.0005184780994660563,0.0005184780994660563,v0,bcc,18.3267 +19,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,45.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +20,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,47.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +21,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,49.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +22,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,51.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +23,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,53.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +24,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,55.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +25,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,57.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +26,Tetra,allKp,DMol3,Ta,PBE,18.3266049805668,8.9424150365643e-06,59.0,1.0,2.717670187770119e-05,-2.717670187770119e-05,v0,bcc,18.3266 +0,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,7.0,1.0,3.828726302581638,3.828726302581638,dB,bcc,3.7187370000000004 +1,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,9.0,1.0,5.50646858731462,-5.50646858731462,dB,bcc,3.3843870000000003 +2,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,11.0,1.0,1.0126478822938558,-1.0126478822938558,dB,bcc,3.5453379999999997 +3,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,13.0,1.0,1.542773036696312,-1.542773036696312,dB,bcc,3.526351 +4,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,15.0,1.0,0.5409842984995621,0.5409842984995621,dB,bcc,3.6009830000000003 +5,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,17.0,1.0,0.10422885750646553,-0.10422885750646553,dB,bcc,3.577874 +6,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,19.0,1.0,0.13072534307700628,-0.13072534307700628,dB,bcc,3.576925 +7,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,21.0,1.0,0.29285546049594624,0.29285546049594624,dB,bcc,3.5920959999999997 +8,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,23.0,1.0,0.03948138644419822,-0.03948138644419822,dB,bcc,3.580193 +9,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,25.0,1.0,0.004552931809045359,-0.004552931809045359,dB,bcc,3.5814440000000003 +10,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,27.0,1.0,0.09451254878302608,-0.09451254878302608,dB,bcc,3.5782220000000002 +11,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,29.0,1.0,0.11972089039799508,0.11972089039799508,dB,bcc,3.585895 +12,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,31.0,1.0,0.03342265370572435,-0.03342265370572435,dB,bcc,3.5804099999999996 +13,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,33.0,1.0,0.020994259231035185,0.020994259231035185,dB,bcc,3.582359 +14,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,35.0,1.0,0.022059039767670777,-0.022059039767670777,dB,bcc,3.5808169999999997 +15,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,37.0,1.0,0.02189151720346243,-0.02189151720346243,dB,bcc,3.5808230000000005 +16,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,39.0,1.0,0.023227893420335162,0.023227893420335162,dB,bcc,3.582439 +17,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,41.0,1.0,0.004413329672219535,-0.004413329672219535,dB,bcc,3.5814489999999997 +18,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,43.0,1.0,0.029876759430214506,-0.029876759430214506,dB,bcc,3.580537 +19,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,45.0,1.0,0.0005603106956755206,-0.0005603106956755206,dB,bcc,3.5815870000000003 +20,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,47.0,1.0,0.009997415145463285,-0.009997415145463285,dB,bcc,3.5812489999999997 +21,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,49.0,1.0,0.003994523261729664,-0.003994523261729664,dB,bcc,3.581464 +22,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,51.0,1.0,0.0023713341777659787,0.0023713341777659787,dB,bcc,3.581692 +23,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,53.0,1.0,0.018233941218496887,-0.018233941218496887,dB,bcc,3.580954 +24,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,55.0,1.0,0.014743887797727291,-0.014743887797727291,dB,bcc,3.581079 +25,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,57.0,1.0,0.03900293488226085,0.03900293488226085,dB,bcc,3.5830040000000003 +26,Tetra,allKp,DMol3,Ta,PBE,3.58160706812748,0.000402437860708608,59.0,1.0,0.019015713184748782,-0.019015713184748782,dB,bcc,3.5809260000000003 +0,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,7.0,1.0,3.9495304512944194,-3.9495304512944194,B,fcc,176.083156 +1,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,9.0,1.0,0.8584910641966661,0.8584910641966661,B,fcc,184.897393 +2,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,11.0,1.0,0.1417572591423038,-0.1417572591423038,B,fcc,183.063702 +3,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,13.0,1.0,0.3288946729939025,-0.3288946729939025,B,fcc,182.72063500000002 +4,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,15.0,1.0,0.02435282915260591,-0.02435282915260591,B,fcc,183.278932 +5,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,17.0,1.0,0.07841897923791218,-0.07841897923791218,B,fcc,183.179816 +6,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,19.0,1.0,0.050660435721687866,0.050660435721687866,B,fcc,183.416449 +7,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,21.0,1.0,0.01227418633672539,-0.01227418633672539,B,fcc,183.301075 +8,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,23.0,1.0,0.05278345779816796,0.05278345779816796,B,fcc,183.42034099999998 +9,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,25.0,1.0,0.009856057645813132,-0.009856057645813132,B,fcc,183.305508 +10,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,27.0,1.0,0.02541215825653331,-0.02541215825653331,B,fcc,183.27698999999998 +11,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,29.0,1.0,0.05217194602777993,-0.05217194602777993,B,fcc,183.227933 +12,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,31.0,1.0,0.01660589609311439,0.01660589609311439,B,fcc,183.354019 +13,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,33.0,1.0,0.0014141785109310645,0.0014141785109310645,B,fcc,183.326169 +14,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,35.0,1.0,0.0011757775063149585,-0.0011757775063149585,B,fcc,183.321421 +15,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,37.0,1.0,0.009407124663045104,-0.009407124663045104,B,fcc,183.306331 +16,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,39.0,1.0,0.004177598305233707,0.004177598305233707,B,fcc,183.33123500000002 +17,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,41.0,1.0,0.0140917376108309,-0.0140917376108309,B,fcc,183.297743 +18,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,43.0,1.0,0.003228977685100572,-0.003228977685100572,B,fcc,183.317657 +19,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,45.0,1.0,0.003553565094686206,0.003553565094686206,B,fcc,183.33009099999998 +20,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,47.0,1.0,0.0010546801525136947,-0.0010546801525136947,B,fcc,183.321643 +21,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,49.0,1.0,0.006388964038900382,-0.006388964038900382,B,fcc,183.31186399999999 +22,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,51.0,1.0,0.0068968339299107645,0.0068968339299107645,B,fcc,183.33622 +23,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,53.0,1.0,0.0016236195219189126,-0.0016236195219189126,B,fcc,183.3206 +24,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,55.0,1.0,0.0011588675154656234,-0.0011588675154656234,B,fcc,183.321452 +25,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,57.0,1.0,0.0014414526897228149,0.0014414526897228149,B,fcc,183.32621899999998 +26,Tetra,allKp,DMol3,Ta,PBE,183.32357647737598,0.00326361595808707,59.0,1.0,0.0027309511805228967,-0.0027309511805228967,B,fcc,183.31857 +0,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,7.0,1.0,0.0545627429568827,-0.0545627429568827,E0,fcc,-9.282481 +1,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,9.0,1.0,0.0812319712672265,0.0812319712672265,E0,fcc,-9.295093 +2,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,11.0,1.0,0.006918308256465697,-0.006918308256465697,E0,fcc,-9.286906 +3,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,13.0,1.0,0.0040426035006053285,0.0040426035006053285,E0,fcc,-9.287924 +4,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,15.0,1.0,0.0004472788203027334,-0.0004472788203027334,E0,fcc,-9.287507000000002 +5,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,17.0,1.0,0.0005432947372960284,0.0005432947372960284,E0,fcc,-9.287599 +6,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,19.0,1.0,0.0010924170355288774,0.0010924170355288774,E0,fcc,-9.28765 +7,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,21.0,1.0,0.00010273149592471324,-0.00010273149592471324,E0,fcc,-9.287539 +8,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,23.0,1.0,0.0013292933210590876,0.0013292933210590876,E0,fcc,-9.287672 +9,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,25.0,1.0,0.00019963543091260604,-0.00019963543091260604,E0,fcc,-9.28753 +10,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,27.0,1.0,3.812887261220218e-05,-3.812887261220218e-05,E0,fcc,-9.287545 +11,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,29.0,1.0,0.0006518537941766883,-0.0006518537941766883,E0,fcc,-9.287488 +12,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,31.0,1.0,0.00012337768568820167,0.00012337768568820167,E0,fcc,-9.287560000000001 +13,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,33.0,1.0,5.96630803894146e-05,-5.96630803894146e-05,E0,fcc,-9.287543 +14,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,35.0,1.0,5.8775062375690624e-05,5.8775062375690624e-05,E0,fcc,-9.287554 +15,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,37.0,1.0,0.00011349859982288254,-0.00011349859982288254,E0,fcc,-9.287538 +16,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,39.0,1.0,0.00014491189346541408,0.00014491189346541408,E0,fcc,-9.287562 +17,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,41.0,1.0,0.00016733411925635048,-0.00016733411925635048,E0,fcc,-9.287533 +18,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,43.0,1.0,7.043018426845771e-05,-7.043018426845771e-05,E0,fcc,-9.287542 +19,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,45.0,1.0,5.96630803894146e-05,-5.96630803894146e-05,E0,fcc,-9.287543 +20,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,47.0,1.0,5.827560955946656e-06,-5.827560955946656e-06,E0,fcc,-9.287548 +21,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,49.0,1.0,5.96630803894146e-05,-5.96630803894146e-05,E0,fcc,-9.287543 +22,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,51.0,1.0,6.954216625473371e-05,6.954216625473371e-05,E0,fcc,-9.287555000000001 +23,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,53.0,1.0,3.812887261220218e-05,-3.812887261220218e-05,E0,fcc,-9.287545 +24,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,55.0,1.0,4.939542942222666e-06,4.939542942222666e-06,E0,fcc,-9.287549 +25,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,57.0,1.0,5.827560955946656e-06,-5.827560955946656e-06,E0,fcc,-9.287548 +26,Tetra,allKp,DMol3,Ta,PBE,-9.287548541237552,1.8961741068469002e-06,59.0,1.0,1.6594664834989762e-05,-1.6594664834989762e-05,E0,fcc,-9.287547 +0,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,7.0,1.0,0.21535179610161956,-0.21535179610161956,v0,fcc,19.0803 +1,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,9.0,1.0,0.2273801547159569,-0.2273801547159569,v0,fcc,19.078 +2,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,11.0,1.0,0.10575308168957144,0.10575308168957144,v0,fcc,19.1417 +3,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,13.0,1.0,0.02498994672703193,-0.02498994672703193,v0,fcc,19.1167 +4,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,15.0,1.0,0.03515184634459893,0.03515184634459893,v0,fcc,19.1282 +5,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,17.0,1.0,0.03440344477304313,-0.03440344477304313,v0,fcc,19.1149 +6,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,19.0,1.0,0.0025021458393901233,-0.0025021458393901233,v0,fcc,19.121 +7,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,21.0,1.0,0.001979173725724899,-0.001979173725724899,v0,fcc,19.1211 +8,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,23.0,1.0,0.0006356868426198031,0.0006356868426198031,v0,fcc,19.1216 +9,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,25.0,1.0,0.0061629506350466936,-0.0061629506350466936,v0,fcc,19.1203 +10,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,27.0,1.0,0.001681631069950252,0.001681631069950252,v0,fcc,19.1218 +11,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,29.0,1.0,0.00377351952461115,0.00377351952461115,v0,fcc,19.1222 +12,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,31.0,1.0,0.0009332294983758699,-0.0009332294983758699,v0,fcc,19.1213 +13,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,33.0,1.0,0.0009332294983758699,-0.0009332294983758699,v0,fcc,19.1213 +14,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,35.0,1.0,0.001681631069950252,0.001681631069950252,v0,fcc,19.1218 +15,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,37.0,1.0,0.0006356868426198031,0.0006356868426198031,v0,fcc,19.1216 +16,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,39.0,1.0,0.0004102573847106457,-0.0004102573847106457,v0,fcc,19.1214 +17,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,41.0,1.0,0.0009332294983758699,-0.0009332294983758699,v0,fcc,19.1213 +18,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,43.0,1.0,0.0011586589562850276,0.0011586589562850276,v0,fcc,19.1217 +19,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,45.0,1.0,0.0006356868426198031,0.0006356868426198031,v0,fcc,19.1216 +20,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,47.0,1.0,0.0006356868426198031,0.0006356868426198031,v0,fcc,19.1216 +21,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,49.0,1.0,0.00011271472895457871,0.00011271472895457871,v0,fcc,19.1215 +22,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,51.0,1.0,0.00011271472895457871,0.00011271472895457871,v0,fcc,19.1215 +23,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,53.0,1.0,0.0004102573847106457,-0.0004102573847106457,v0,fcc,19.1214 +24,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,55.0,1.0,0.00011271472895457871,0.00011271472895457871,v0,fcc,19.1215 +25,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,57.0,1.0,0.00011271472895457871,0.00011271472895457871,v0,fcc,19.1215 +26,Tetra,allKp,DMol3,Ta,PBE,19.121478447277397,3.05277826343783e-05,59.0,1.0,0.00011271472895457871,0.00011271472895457871,v0,fcc,19.1215 +0,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,7.0,1.0,1.2523703811532512,-1.2523703811532512,dB,fcc,3.8565519999999998 +1,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,9.0,1.0,7.03276793894696,7.03276793894696,dB,fcc,4.180125 +2,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,11.0,1.0,4.518385308677316,-4.518385308677316,dB,fcc,3.728999 +3,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,13.0,1.0,2.017759813103499,-2.017759813103499,dB,fcc,3.82666 +4,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,15.0,1.0,0.22511698156769075,-0.22511698156769075,dB,fcc,3.896671 +5,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,17.0,1.0,1.2371936854562102,1.2371936854562102,dB,fcc,3.9537809999999998 +6,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,19.0,1.0,0.3272887324994396,0.3272887324994396,dB,fcc,3.9182449999999998 +7,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,21.0,1.0,0.06975203684321757,0.06975203684321757,dB,fcc,3.9081870000000003 +8,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,23.0,1.0,0.1486087645642288,-0.1486087645642288,dB,fcc,3.8996589999999998 +9,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,25.0,1.0,0.27013801618359873,0.27013801618359873,dB,fcc,3.9160129999999995 +10,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,27.0,1.0,0.12131366438830228,-0.12131366438830228,dB,fcc,3.900725 +11,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,29.0,1.0,0.41049833735919616,-0.41049833735919616,dB,fcc,3.8894309999999996 +12,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,31.0,1.0,0.0310882457872622,0.0310882457872622,dB,fcc,3.9066769999999997 +13,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,33.0,1.0,0.037259089260430915,0.037259089260430915,dB,fcc,3.906918 +14,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,35.0,1.0,0.24490976996919075,-0.24490976996919075,dB,fcc,3.8958980000000003 +15,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,37.0,1.0,0.025729603453261456,-0.025729603453261456,dB,fcc,3.904458 +16,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,39.0,1.0,0.011730745099641223,0.011730745099641223,dB,fcc,3.9059209999999998 +17,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,41.0,1.0,0.05395365334552497,0.05395365334552497,dB,fcc,3.9075699999999998 +18,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,43.0,1.0,0.11870193810505054,-0.11870193810505054,dB,fcc,3.9008269999999996 +19,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,45.0,1.0,0.06116714439461712,-0.06116714439461712,dB,fcc,3.9030739999999997 +20,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,47.0,1.0,0.05568764023172628,-0.05568764023172628,dB,fcc,3.903288 +21,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,49.0,1.0,0.0030762011414145127,0.0030762011414145127,dB,fcc,3.905583 +22,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,51.0,1.0,0.043141112008265294,-0.043141112008265294,dB,fcc,3.903778 +23,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,53.0,1.0,0.018055219530646927,0.018055219530646927,dB,fcc,3.906168 +24,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,55.0,1.0,0.0149242260853054,-0.0149242260853054,dB,fcc,3.9048800000000004 +25,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,57.0,1.0,0.033641597781935095,-0.033641597781935095,dB,fcc,3.904149 +26,Tetra,allKp,DMol3,Ta,PBE,3.90546286010692,0.000550311778232158,59.0,1.0,0.0038884022805824735,-0.0038884022805824735,dB,fcc,3.905311 +0,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,7.0,1.0,0.128838009977218,0.128838009977218,B,hcp,287.953801 +1,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,9.0,1.0,0.5774339154238419,-0.5774339154238419,B,hcp,285.922681 +2,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,11.0,1.0,0.06111287715552818,-0.06111287715552818,B,hcp,287.407534 +3,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,13.0,1.0,0.15064525796336467,0.15064525796336467,B,hcp,288.01651499999997 +4,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,15.0,1.0,0.04529832795743116,-0.04529832795743116,B,hcp,287.453014 +5,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,17.0,1.0,0.009412375751137158,-0.009412375751137158,B,hcp,287.556216 +6,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,19.0,1.0,0.01686760738717423,-0.01686760738717423,B,hcp,287.53477599999997 +7,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,21.0,1.0,0.021148106521492592,-0.021148106521492592,B,hcp,287.522466 +8,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,23.0,1.0,0.034109277551039256,0.034109277551039256,B,hcp,287.681377 +9,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,25.0,1.0,0.015180096233746934,-0.015180096233746934,B,hcp,287.539629 +10,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,27.0,1.0,0.010817881640700404,-0.010817881640700404,B,hcp,287.5521740000001 +11,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,29.0,1.0,0.009366184382864507,0.009366184382864507,B,hcp,287.61022 +12,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,31.0,1.0,0.006170588359749882,0.006170588359749882,B,hcp,287.60103 +13,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,33.0,1.0,0.014453754068805676,0.014453754068805676,B,hcp,287.624851 +14,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,35.0,1.0,0.012878502101332272,-0.012878502101332272,B,hcp,287.546248 +15,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,37.0,1.0,0.00013477162758611616,0.00013477162758611616,B,hcp,287.5836720000001 +16,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,39.0,1.0,0.007490206086380881,0.007490206086380881,B,hcp,287.604825 +17,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,41.0,1.0,0.010407217995145272,-0.010407217995145272,B,hcp,287.5533549999999 +18,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,43.0,1.0,0.0009658352287826012,0.0009658352287826012,B,hcp,287.586062 +19,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,45.0,1.0,0.0006852208663594389,0.0006852208663594389,B,hcp,287.58525499999996 +20,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,47.0,1.0,0.004133557119257881,-0.004133557119257881,B,hcp,287.5713970000001 +21,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,49.0,1.0,0.006795450824770717,0.006795450824770717,B,hcp,287.602827 +22,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,51.0,1.0,0.0028925253231575285,-0.0028925253231575285,B,hcp,287.574966 +23,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,53.0,1.0,0.0015002329970949528,-0.0015002329970949528,B,hcp,287.57897 +24,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,55.0,1.0,0.00033714778483391204,0.00033714778483391204,B,hcp,287.584254 +25,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,57.0,1.0,0.0004282518281546674,0.0004282518281546674,B,hcp,287.584516 +26,Tetra,allKp,DMol3,Tc,PBE,287.583284419327,0.0036446325304026897,59.0,1.0,0.00018896067903022425,-0.00018896067903022425,B,hcp,287.582741 +0,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,7.0,1.0,0.17357069476385728,0.17357069476385728,E0,hcp,-6.547269 +1,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,9.0,1.0,0.16586100811307822,-0.16586100811307822,E0,hcp,-6.525084 +2,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,11.0,1.0,0.03420250087132547,0.03420250087132547,E0,hcp,-6.5381599999999995 +3,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,13.0,1.0,0.004521936360209649,-0.004521936360209649,E0,hcp,-6.535629 +4,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,15.0,1.0,0.01100915934960502,-0.01100915934960502,E0,hcp,-6.535205 +5,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,17.0,1.0,0.001982127359668519,-0.001982127359668519,E0,hcp,-6.535794999999999 +6,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,19.0,1.0,0.0035105921054326555,0.0035105921054326555,E0,hcp,-6.536154 +7,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,21.0,1.0,0.00770434763802445,-0.00770434763802445,E0,hcp,-6.5354209999999995 +8,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,23.0,1.0,0.002516088581111284,0.002516088581111284,E0,hcp,-6.536089 +9,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,25.0,1.0,0.001798526708999486,-0.001798526708999486,E0,hcp,-6.535807 +10,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,27.0,1.0,0.0013548251366172679,-0.0013548251366172679,E0,hcp,-6.535836 +11,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,29.0,1.0,0.000192021015849282,-0.000192021015849282,E0,hcp,-6.5359120000000015 +12,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,31.0,1.0,6.87968898781402e-06,6.87968898781402e-06,E0,hcp,-6.535925 +13,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,33.0,1.0,0.0005117814782597097,0.0005117814782597097,E0,hcp,-6.535958 +14,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,35.0,1.0,0.0003909217207407348,-0.0003909217207407348,E0,hcp,-6.535899 +15,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,37.0,1.0,0.00048272204606166223,-0.00048272204606166223,E0,hcp,-6.535893 +16,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,39.0,1.0,0.00022108044807450785,0.00022108044807450785,E0,hcp,-6.535939 +17,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,41.0,1.0,0.0005133221544929119,-0.0005133221544929119,E0,hcp,-6.535891 +18,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,43.0,1.0,0.00020732107008529066,-0.00020732107008529066,E0,hcp,-6.5359110000000005 +19,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,45.0,1.0,0.00025168055651934667,0.00025168055651934667,E0,hcp,-6.535941 +20,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,47.0,1.0,0.00037562166651831534,-0.00037562166651831534,E0,hcp,-6.5359 +21,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,49.0,1.0,0.0001292801227535804,0.0001292801227535804,E0,hcp,-6.535933 +22,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,51.0,1.0,3.74797974326529e-05,3.74797974326529e-05,E0,hcp,-6.535927 +23,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,53.0,1.0,0.00023792117855730787,-0.00023792117855730787,E0,hcp,-6.5359089999999975 +24,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,55.0,1.0,3.74797974326529e-05,3.74797974326529e-05,E0,hcp,-6.535927 +25,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,57.0,1.0,0.00010022069055553288,-0.00010022069055553288,E0,hcp,-6.535918 +26,Tetra,allKp,DMol3,Tc,PBE,-6.535924550348718,4.75049381373413e-06,59.0,1.0,2.372041944343569e-05,-2.372041944343569e-05,E0,hcp,-6.535923 +0,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,7.0,1.0,0.08195573530291304,0.08195573530291304,v0,hcp,14.7352 +1,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,9.0,1.0,0.07448449966926489,0.07448449966926489,v0,hcp,14.7341 +2,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,11.0,1.0,0.02807518948343949,-0.02807518948343949,v0,hcp,14.719 +3,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,13.0,1.0,0.02761947614915111,0.02761947614915111,v0,hcp,14.7272 +4,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,15.0,1.0,0.007019889061371972,-0.007019889061371972,v0,hcp,14.7221 +5,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,17.0,1.0,0.006340685821939544,-0.006340685821939544,v0,hcp,14.7222 +6,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,19.0,1.0,0.005884972487651161,0.005884972487651161,v0,hcp,14.724 +7,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,21.0,1.0,0.0018097530511169046,0.0018097530511169046,v0,hcp,14.7234 +8,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,23.0,1.0,0.0015862631459969865,-0.0015862631459969865,v0,hcp,14.7229 +9,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,25.0,1.0,0.00248895629053727,0.00248895629053727,v0,hcp,14.7235 +10,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,27.0,1.0,0.0009070599065766213,-0.0009070599065766213,v0,hcp,14.723 +11,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,29.0,1.0,0.0031681595299576358,0.0031681595299576358,v0,hcp,14.7236 +12,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,31.0,1.0,0.00022785666714419101,-0.00022785666714419101,v0,hcp,14.7231 +13,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,33.0,1.0,0.0004513465722761743,0.0004513465722761743,v0,hcp,14.7232 +14,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,35.0,1.0,0.0004513465722761743,0.0004513465722761743,v0,hcp,14.7232 +15,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,37.0,1.0,0.0009070599065766213,-0.0009070599065766213,v0,hcp,14.723 +16,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,39.0,1.0,0.0011305498116965394,0.0011305498116965394,v0,hcp,14.7233 +17,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,41.0,1.0,0.0004513465722761743,0.0004513465722761743,v0,hcp,14.7232 +18,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,43.0,1.0,0.0009070599065766213,-0.0009070599065766213,v0,hcp,14.723 +19,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,45.0,1.0,0.0011305498116965394,0.0011305498116965394,v0,hcp,14.7233 +20,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,47.0,1.0,0.0004513465722761743,0.0004513465722761743,v0,hcp,14.7232 +21,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,49.0,1.0,0.00022785666714419101,-0.00022785666714419101,v0,hcp,14.7231 +22,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,51.0,1.0,0.0004513465722761743,0.0004513465722761743,v0,hcp,14.7232 +23,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,53.0,1.0,0.00022785666714419101,-0.00022785666714419101,v0,hcp,14.7231 +24,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,55.0,1.0,0.0004513465722761743,0.0004513465722761743,v0,hcp,14.7232 +25,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,57.0,1.0,0.0004513465722761743,0.0004513465722761743,v0,hcp,14.7232 +26,Tetra,allKp,DMol3,Tc,PBE,14.723133547641401,2.92664108651383e-05,59.0,1.0,0.00022785666714419101,-0.00022785666714419101,v0,hcp,14.7231 +0,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,7.0,1.0,2.0070903896003816,-2.0070903896003816,dB,hcp,4.413989 +1,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,9.0,1.0,1.2405725776805023,-1.2405725776805023,dB,hcp,4.4485160000000015 +2,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,11.0,1.0,0.13520802659039116,-0.13520802659039116,dB,hcp,4.4983059999999995 +3,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,13.0,1.0,0.29825738534041163,0.29825738534041163,dB,hcp,4.517831 +4,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,15.0,1.0,0.032974570921184554,-0.032974570921184554,dB,hcp,4.502911 +5,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,17.0,1.0,0.14027839065157258,0.14027839065157258,dB,hcp,4.510715 +6,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,19.0,1.0,0.11196406826560408,-0.11196406826560408,dB,hcp,4.499353 +7,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,21.0,1.0,0.06407751802055701,-0.06407751802055701,dB,hcp,4.50151 +8,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,23.0,1.0,0.06748284208711004,0.06748284208711004,dB,hcp,4.507436 +9,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,25.0,1.0,0.06580915961493981,-0.06580915961493981,dB,hcp,4.501432 +10,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,27.0,1.0,0.020217906773373318,0.020217906773373318,dB,hcp,4.505307 +11,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,29.0,1.0,0.16879743341504438,-0.16879743341504438,dB,hcp,4.496793 +12,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,31.0,1.0,0.004588731357280691,0.004588731357280691,dB,hcp,4.5046029999999995 +13,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,33.0,1.0,0.004580088879719156,-0.004580088879719156,dB,hcp,4.50419 +14,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,35.0,1.0,0.013771109649983607,-0.013771109649983607,dB,hcp,4.503776 +15,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,37.0,1.0,0.004633132423829617,0.004633132423829617,dB,hcp,4.5046050000000015 +16,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,39.0,1.0,0.08181574409649127,-0.08181574409649127,dB,hcp,4.500711 +17,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,41.0,1.0,0.01633281345259998,0.01633281345259998,dB,hcp,4.505132 +18,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,43.0,1.0,0.03553627472380093,0.03553627472380093,dB,hcp,4.505997 +19,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,45.0,1.0,0.03934612396723865,-0.03934612396723865,dB,hcp,4.502624 +20,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,47.0,1.0,0.020875280293671042,-0.020875280293671042,dB,hcp,4.503456 +21,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,49.0,1.0,0.010085821128571986,-0.010085821128571986,dB,hcp,4.5039419999999994 +22,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,51.0,1.0,0.0068001422058838025,-0.0068001422058838025,dB,hcp,4.50409 +23,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,53.0,1.0,0.005632156420559342,0.005632156420559342,dB,hcp,4.50465 +24,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,55.0,1.0,0.02993309786432815,-0.02993309786432815,dB,hcp,4.5030480000000015 +25,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,57.0,1.0,0.006555936339992875,-0.006555936339992875,dB,hcp,4.504101 +26,Tetra,allKp,DMol3,Tc,PBE,4.50439630535428,0.000347561713758321,59.0,1.0,0.004499929224222274,0.004499929224222274,dB,hcp,4.504599 +0,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,7.0,1.0,0.4106286935145097,0.4106286935145097,B,hcp,108.47130700000001 +1,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,9.0,1.0,0.13254542367862682,0.13254542367862682,B,hcp,108.1709 +2,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,11.0,1.0,0.1295002949354046,-0.1295002949354046,B,hcp,107.887818 +3,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,13.0,1.0,0.04608427740303712,0.04608427740303712,B,hcp,108.07749799999999 +4,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,15.0,1.0,0.07150684347804598,-0.07150684347804598,B,hcp,107.95046699999999 +5,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,17.0,1.0,0.005972348424902298,0.005972348424902298,B,hcp,108.03416599999998 +6,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,19.0,1.0,0.02188122896164822,0.02188122896164822,B,hcp,108.05135200000001 +7,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,21.0,1.0,0.02982772406884562,-0.02982772406884562,B,hcp,107.995492 +8,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,23.0,1.0,0.005862577541690292,-0.005862577541690292,B,hcp,108.021381 +9,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,25.0,1.0,0.004931874683302416,0.004931874683302416,B,hcp,108.033042 +10,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,27.0,1.0,0.005717244465681222,-0.005717244465681222,B,hcp,108.02153799999999 +11,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,29.0,1.0,0.000126086637107271,-0.000126086637107271,B,hcp,108.027578 +12,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,31.0,1.0,0.0007500006067231426,-0.0007500006067231426,B,hcp,108.026904 +13,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,33.0,1.0,0.0005885447939602068,0.0005885447939602068,B,hcp,108.02835 +14,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,35.0,1.0,0.0021094508059398016,0.0021094508059398016,B,hcp,108.02999299999999 +15,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,37.0,1.0,0.0012193246165048625,-0.0012193246165048625,B,hcp,108.026397 +16,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,39.0,1.0,0.005955146379914808,-0.005955146379914808,B,hcp,108.021281 +17,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,41.0,1.0,0.00010533545844086347,0.00010533545844086347,B,hcp,108.027828 +18,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,43.0,1.0,0.00010533545844086347,0.00010533545844086347,B,hcp,108.027828 +19,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,45.0,1.0,0.003793664007442086,-0.003793664007442086,B,hcp,108.02361599999999 +20,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,47.0,1.0,0.002454732572502248,0.002454732572502248,B,hcp,108.03036599999999 +21,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,49.0,1.0,0.0016192219976247724,-0.0016192219976247724,B,hcp,108.02596499999999 +22,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,51.0,1.0,0.0026337764645354717,-0.0026337764645354717,B,hcp,108.024869 +23,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,53.0,1.0,0.0014068533238370375,0.0014068533238370375,B,hcp,108.029234 +24,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,55.0,1.0,0.0016192219976247724,-0.0016192219976247724,B,hcp,108.02596499999999 +25,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,57.0,1.0,0.0026337764645354717,-0.0026337764645354717,B,hcp,108.024869 +26,Tetra,allKp,DMol3,Ti,PBE,108.027714208512,0.00103116372860511,59.0,1.0,0.0014068533238370375,0.0014068533238370375,B,hcp,108.029234 +0,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,7.0,1.0,0.006953514525679908,-0.006953514525679908,E0,hcp,-6.6878699999999975 +1,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,9.0,1.0,0.01608659908810903,0.01608659908810903,E0,hcp,-6.689411 +2,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,11.0,1.0,0.0004623818743664588,0.0004623818743664588,E0,hcp,-6.688366 +3,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,13.0,1.0,0.0011673211651426175,-0.0011673211651426175,E0,hcp,-6.688257000000001 +4,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,15.0,1.0,0.000970729611455916,0.000970729611455916,E0,hcp,-6.6884 +5,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,17.0,1.0,0.0005819931066282697,0.0005819931066282697,E0,hcp,-6.6883740000000005 +6,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,19.0,1.0,4.596586272299871e-05,-4.596586272299871e-05,E0,hcp,-6.688332000000001 +7,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,21.0,1.0,0.0003726734501734204,0.0003726734501734204,E0,hcp,-6.68836 +8,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,23.0,1.0,0.0001783051977529574,0.0001783051977529574,E0,hcp,-6.688347 +9,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,25.0,1.0,5.869396549114644e-05,5.869396549114644e-05,E0,hcp,-6.688339 +10,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,27.0,1.0,0.00014840238968418478,0.00014840238968418478,E0,hcp,-6.688345 +11,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,29.0,1.0,0.00010354817758102584,0.00010354817758102584,E0,hcp,-6.688342 +12,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,31.0,1.0,5.869396549114644e-05,5.869396549114644e-05,E0,hcp,-6.688339 +13,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,33.0,1.0,7.364536949897371e-05,7.364536949897371e-05,E0,hcp,-6.6883399999999975 +14,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,35.0,1.0,0.00010354817758102584,0.00010354817758102584,E0,hcp,-6.688342 +15,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,37.0,1.0,2.879115742237381e-05,2.879115742237381e-05,E0,hcp,-6.688337 +16,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,39.0,1.0,3.101445870189192e-05,-3.101445870189192e-05,E0,hcp,-6.688333 +17,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,41.0,1.0,5.869396549114644e-05,5.869396549114644e-05,E0,hcp,-6.688339 +18,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,43.0,1.0,5.869396549114644e-05,5.869396549114644e-05,E0,hcp,-6.688339 +19,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,45.0,1.0,1.6063054694064638e-05,-1.6063054694064638e-05,E0,hcp,-6.6883339999999984 +20,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,47.0,1.0,4.3742561470039626e-05,4.3742561470039626e-05,E0,hcp,-6.688338000000001 +21,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,49.0,1.0,2.879115742237381e-05,2.879115742237381e-05,E0,hcp,-6.688337 +22,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,51.0,1.0,1.1116506331192974e-06,-1.1116506331192974e-06,E0,hcp,-6.688335 +23,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,53.0,1.0,1.3839753387987498e-05,1.3839753387987498e-05,E0,hcp,-6.688336 +24,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,55.0,1.0,2.879115742237381e-05,2.879115742237381e-05,E0,hcp,-6.688337 +25,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,57.0,1.0,1.1116506331192974e-06,-1.1116506331192974e-06,E0,hcp,-6.688335 +26,Tetra,allKp,DMol3,Ti,PBE,-6.68833507435092,4.75450307952923e-07,59.0,1.0,1.3839753387987498e-05,1.3839753387987498e-05,E0,hcp,-6.688336 +0,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,7.0,1.0,0.07560597876963279,0.07560597876963279,v0,hcp,17.4856 +1,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,9.0,1.0,0.037143337112109265,-0.037143337112109265,v0,hcp,17.4659 +2,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,11.0,1.0,0.011388417240644716,-0.011388417240644716,v0,hcp,17.4704 +3,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,13.0,1.0,0.010360181761914495,0.010360181761914495,v0,hcp,17.4742 +4,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,15.0,1.0,0.0023475400241241714,0.0023475400241241714,v0,hcp,17.4728 +5,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,17.0,1.0,0.0006305453660306019,0.0006305453660306019,v0,hcp,17.4725 +6,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,19.0,1.0,0.0005141177393651108,-0.0005141177393651108,v0,hcp,17.4723 +7,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,21.0,1.0,0.0016587808447608235,-0.0016587808447608235,v0,hcp,17.4721 +8,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,23.0,1.0,0.0012028769187284586,0.0012028769187284586,v0,hcp,17.4726 +9,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,25.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +10,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,27.0,1.0,0.001086449292062967,-0.001086449292062967,v0,hcp,17.4722 +11,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,29.0,1.0,0.0006305453660306019,0.0006305453660306019,v0,hcp,17.4725 +12,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,31.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +13,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,33.0,1.0,0.0006305453660306019,0.0006305453660306019,v0,hcp,17.4725 +14,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,35.0,1.0,0.0006305453660306019,0.0006305453660306019,v0,hcp,17.4725 +15,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,37.0,1.0,0.0005141177393651108,-0.0005141177393651108,v0,hcp,17.4723 +16,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,39.0,1.0,0.0006305453660306019,0.0006305453660306019,v0,hcp,17.4725 +17,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,41.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +18,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,43.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +19,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,45.0,1.0,0.0006305453660306019,0.0006305453660306019,v0,hcp,17.4725 +20,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,47.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +21,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,49.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +22,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,51.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +23,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,53.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +24,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,55.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +25,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,57.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +26,Tetra,allKp,DMol3,Ti,PBE,17.4723898286556,9.44106721993765e-06,59.0,1.0,5.821381333274557e-05,5.821381333274557e-05,v0,hcp,17.4724 +0,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,7.0,1.0,1.0241247064825458,1.0241247064825458,dB,hcp,3.1475310000000003 +1,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,9.0,1.0,1.3298099447548701,1.3298099447548701,dB,hcp,3.1570549999999997 +2,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,11.0,1.0,0.7272745371972401,-0.7272745371972401,dB,hcp,3.092964 +3,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,13.0,1.0,0.1635028855536524,-0.1635028855536524,dB,hcp,3.110529 +4,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,15.0,1.0,0.825874395657192,-0.825874395657192,dB,hcp,3.089892 +5,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,17.0,1.0,0.1636312707860258,-0.1636312707860258,dB,hcp,3.110525 +6,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,19.0,1.0,0.07269384569856298,0.07269384569856298,dB,hcp,3.117888 +7,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,21.0,1.0,0.030527881126703783,-0.030527881126703783,dB,hcp,3.114672 +8,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,23.0,1.0,0.1727466222842822,-0.1727466222842822,dB,hcp,3.110241 +9,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,25.0,1.0,0.05806651347001179,-0.05806651347001179,dB,hcp,3.113814 +10,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,27.0,1.0,0.0164932102287116,0.0164932102287116,dB,hcp,3.1161369999999997 +11,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,29.0,1.0,0.08220293715551674,-0.08220293715551674,dB,hcp,3.1130619999999998 +12,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,31.0,1.0,0.07132228871218635,-0.07132228871218635,dB,hcp,3.1134009999999996 +13,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,33.0,1.0,0.05610863867637055,-0.05610863867637055,dB,hcp,3.113875 +14,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,35.0,1.0,0.09016282156244086,-0.09016282156244086,dB,hcp,3.1128139999999997 +15,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,37.0,1.0,0.04631068044657302,0.04631068044657302,dB,hcp,3.117066 +16,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,39.0,1.0,0.08685690182892858,-0.08685690182892858,dB,hcp,3.112917 +17,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,41.0,1.0,0.02770340601457401,-0.02770340601457401,dB,hcp,3.11476 +18,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,43.0,1.0,0.02770340601457401,-0.02770340601457401,dB,hcp,3.11476 +19,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,45.0,1.0,0.05447172696365574,-0.05447172696365574,dB,hcp,3.1139259999999997 +20,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,47.0,1.0,0.0021868410810868327,-0.0021868410810868327,dB,hcp,3.115555 +21,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,49.0,1.0,0.04564524223824308,-0.04564524223824308,dB,hcp,3.114201 +22,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,51.0,1.0,0.030945133131906718,-0.030945133131906718,dB,hcp,3.114659 +23,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,53.0,1.0,0.01106893416108773,0.01106893416108773,dB,hcp,3.115968 +24,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,55.0,1.0,0.04564524223824308,-0.04564524223824308,dB,hcp,3.114201 +25,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,57.0,1.0,0.030945133131906718,-0.030945133131906718,dB,hcp,3.114659 +26,Tetra,allKp,DMol3,Ti,PBE,3.1156231337266203,0.000372077116060935,59.0,1.0,0.01106893416108773,0.01106893416108773,dB,hcp,3.115968 +0,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,7.0,1.0,0.00803754456158004,-0.00803754456158004,B,bcc,177.03951899999996 +1,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,9.0,1.0,0.7445099444198803,-0.7445099444198803,B,bcc,175.735567 +2,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,11.0,1.0,0.4726752339513151,0.4726752339513151,B,bcc,177.890639 +3,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,13.0,1.0,0.23817330871228096,-0.23817330871228096,B,bcc,176.632055 +4,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,15.0,1.0,0.03298897992194151,0.03298897992194151,B,bcc,177.112158 +5,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,17.0,1.0,0.048103599089367774,0.048103599089367774,B,bcc,177.138919 +6,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,19.0,1.0,0.032733999765589585,-0.032733999765589585,B,bcc,176.995793 +7,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,21.0,1.0,0.021634545489648785,-0.021634545489648785,B,bcc,177.015445 +8,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,23.0,1.0,0.02276835481624304,0.02276835481624304,B,bcc,177.094062 +9,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,25.0,1.0,0.05153676448674279,-0.05153676448674279,B,bcc,176.962502 +10,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,27.0,1.0,0.011954689460699134,0.011954689460699134,B,bcc,177.074916 +11,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,29.0,1.0,0.021668998304156216,-0.021668998304156216,B,bcc,177.015384 +12,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,31.0,1.0,0.0018597595590042141,-0.0018597595590042141,B,bcc,177.050457 +13,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,33.0,1.0,0.001382758606991911,0.001382758606991911,B,bcc,177.056198 +14,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,35.0,1.0,0.00538298344325259,-0.00538298344325259,B,bcc,177.044219 +15,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,37.0,1.0,0.012616944890720449,-0.012616944890720449,B,bcc,177.03141100000005 +16,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,39.0,1.0,0.012616944890720449,-0.012616944890720449,B,bcc,177.03141100000005 +17,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,41.0,1.0,0.012472046478675522,0.012472046478675522,B,bcc,177.07583200000005 +18,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,43.0,1.0,0.008622112807813597,-0.008622112807813597,B,bcc,177.038484 +19,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,45.0,1.0,0.012616944890720449,-0.012616944890720449,B,bcc,177.03141100000005 +20,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,47.0,1.0,0.007098846566107023,-0.007098846566107023,B,bcc,177.041181 +21,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,49.0,1.0,0.0006832806633821978,-0.0006832806633821978,B,bcc,177.05254 +22,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,51.0,1.0,0.0055396883582108205,0.0055396883582108205,B,bcc,177.063558 +23,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,53.0,1.0,0.0006832806633821978,-0.0006832806633821978,B,bcc,177.05254 +24,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,55.0,1.0,0.012616944890720449,-0.012616944890720449,B,bcc,177.03141100000005 +25,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,57.0,1.0,0.0006832806633821978,-0.0006832806633821978,B,bcc,177.05254 +26,Tetra,allKp,DMol3,V,PBE,177.053749774036,0.00494823592762655,59.0,1.0,0.0011127840932654732,0.0011127840932654732,B,bcc,177.05572 +0,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,7.0,1.0,0.5006005269450411,0.5006005269450411,E0,bcc,-5.501431 +1,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,9.0,1.0,0.07568490621712637,0.07568490621712637,E0,bcc,-5.478171 +2,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,11.0,1.0,0.07036889393717177,0.07036889393717177,E0,bcc,-5.47788 +3,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,13.0,1.0,0.036627743830365316,0.036627743830365316,E0,bcc,-5.476033 +4,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,15.0,1.0,0.015710788295819945,0.015710788295819945,E0,bcc,-5.474888 +5,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,17.0,1.0,0.005316248820583176,0.005316248820583176,E0,bcc,-5.474319 +6,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,19.0,1.0,0.002667376722309076,0.002667376722309076,E0,bcc,-5.474174 +7,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,21.0,1.0,0.0007852910471439571,-0.0007852910471439571,E0,bcc,-5.473985 +8,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,23.0,1.0,0.00034685704467682116,-0.00034685704467682116,E0,bcc,-5.474009 +9,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,25.0,1.0,0.0007304867968599032,-0.0007304867968599032,E0,bcc,-5.473987999999999 +10,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,27.0,1.0,0.00045646554529360506,-0.00045646554529360506,E0,bcc,-5.474003 +11,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,29.0,1.0,0.0003651251280994308,-0.0003651251280994308,E0,bcc,-5.474008 +12,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,31.0,1.0,0.0004016612949771005,-0.0004016612949771005,E0,bcc,-5.474006 +13,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,33.0,1.0,0.00012764004344325324,-0.00012764004344325324,E0,bcc,-5.474021 +14,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,35.0,1.0,0.00016417621030469768,-0.00016417621030469768,E0,bcc,-5.474019 +15,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,37.0,1.0,0.00020071237718236742,-0.00020071237718236742,E0,bcc,-5.474017 +16,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,39.0,1.0,0.00020071237718236742,-0.00020071237718236742,E0,bcc,-5.474017 +17,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,41.0,1.0,1.8504624051200463e-05,1.8504624051200463e-05,E0,bcc,-5.474029 +18,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,43.0,1.0,0.00010937196000441836,-0.00010937196000441836,E0,bcc,-5.474022 +19,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,45.0,1.0,0.00020071237718236742,-0.00020071237718236742,E0,bcc,-5.474017 +20,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,47.0,1.0,7.283579312674859e-05,-7.283579312674859e-05,E0,bcc,-5.474024 +21,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,49.0,1.0,1.8031542810243972e-05,-1.8031542810243972e-05,E0,bcc,-5.4740269999999995 +22,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,51.0,1.0,7.283579312674859e-05,-7.283579312674859e-05,E0,bcc,-5.474024 +23,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,53.0,1.0,1.8031542810243972e-05,-1.8031542810243972e-05,E0,bcc,-5.4740269999999995 +24,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,55.0,1.0,0.00020071237718236742,-0.00020071237718236742,E0,bcc,-5.474017 +25,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,57.0,1.0,1.8031542810243972e-05,-1.8031542810243972e-05,E0,bcc,-5.4740269999999995 +26,Tetra,allKp,DMol3,V,PBE,-5.4740279870517,2.26407649648536e-06,59.0,1.0,1.8504624051200463e-05,1.8504624051200463e-05,E0,bcc,-5.474029 +0,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,7.0,1.0,0.6767009959598285,-0.6767009959598285,v0,bcc,13.3583 +1,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,9.0,1.0,0.003631221378430682,0.003631221378430682,v0,bcc,13.4498 +2,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,11.0,1.0,0.16589418359766142,-0.16589418359766142,v0,bcc,13.427 +3,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,13.0,1.0,0.008835948724188938,0.008835948724188938,v0,bcc,13.4505 +4,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,15.0,1.0,0.043954857211344,-0.043954857211344,v0,bcc,13.4434 +5,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,17.0,1.0,0.0043747538563942605,0.0043747538563942605,v0,bcc,13.4499 +6,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,19.0,1.0,0.01421355809273482,-0.01421355809273482,v0,bcc,13.4474 +7,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,21.0,1.0,0.001400623944539947,0.001400623944539947,v0,bcc,13.4495 +8,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,23.0,1.0,0.003060570923254731,-0.003060570923254731,v0,bcc,13.4489 +9,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,25.0,1.0,0.0015735059673275742,-0.0015735059673275742,v0,bcc,13.4491 +10,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,27.0,1.0,0.0008299734893639957,-0.0008299734893639957,v0,bcc,13.4492 +11,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,29.0,1.0,0.0006570914665763686,0.0006570914665763686,v0,bcc,13.4494 +12,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,31.0,1.0,0.0015735059673275742,-0.0015735059673275742,v0,bcc,13.4491 +13,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,33.0,1.0,0.0006570914665763686,0.0006570914665763686,v0,bcc,13.4494 +14,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,35.0,1.0,0.0015735059673275742,-0.0015735059673275742,v0,bcc,13.4491 +15,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,37.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +16,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,39.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +17,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,41.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +18,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,43.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +19,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,45.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +20,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,47.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +21,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,49.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +22,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,51.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +23,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,53.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +24,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,55.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +25,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,57.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +26,Tetra,allKp,DMol3,V,PBE,13.449311625720995,7.98343835809669e-06,59.0,1.0,8.644101140041754e-05,-8.644101140041754e-05,v0,bcc,13.4493 +0,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,7.0,1.0,3.208508260502461,3.208508260502461,dB,bcc,4.99598 +1,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,9.0,1.0,3.3921319576037843,-3.3921319576037843,dB,bcc,4.676465 +2,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,11.0,1.0,1.9607049634614517,1.9607049634614517,dB,bcc,4.935578 +3,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,13.0,1.0,0.33875096830132745,-0.33875096830132745,dB,bcc,4.824269 +4,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,15.0,1.0,0.3847857138542921,0.3847857138542921,dB,bcc,4.859293 +5,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,17.0,1.0,0.2947487660117454,-0.2947487660117454,dB,bcc,4.826398999999999 +6,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,19.0,1.0,0.4039772847120669,0.4039772847120669,dB,bcc,4.860222 +7,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,21.0,1.0,0.031148718492698964,-0.031148718492698964,dB,bcc,4.8391589999999995 +8,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,23.0,1.0,0.02177787412042874,0.02177787412042874,dB,bcc,4.841721 +9,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,25.0,1.0,0.1897506003255015,0.1897506003255015,dB,bcc,4.849851999999999 +10,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,27.0,1.0,0.04510110716503047,0.04510110716503047,dB,bcc,4.84285 +11,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,29.0,1.0,0.023980284598576374,-0.023980284598576374,dB,bcc,4.839506 +12,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,31.0,1.0,0.07305180185885499,0.07305180185885499,dB,bcc,4.844203 +13,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,33.0,1.0,0.039990475572496666,-0.039990475572496666,dB,bcc,4.838731 +14,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,35.0,1.0,0.08102590987940966,0.08102590987940966,dB,bcc,4.844589 +15,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,37.0,1.0,0.0243601629872025,0.0243601629872025,dB,bcc,4.841846 +16,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,39.0,1.0,0.0243601629872025,0.0243601629872025,dB,bcc,4.841846 +17,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,41.0,1.0,0.03503248094831893,-0.03503248094831893,dB,bcc,4.838971 +18,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,43.0,1.0,0.036011450354025705,0.036011450354025705,dB,bcc,4.84241 +19,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,45.0,1.0,0.0243601629872025,0.0243601629872025,dB,bcc,4.841846 +20,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,47.0,1.0,0.027087060030498426,0.027087060030498426,dB,bcc,4.841978 +21,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,49.0,1.0,0.0009669262179926312,-0.0009669262179926312,dB,bcc,4.8406199999999995 +22,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,51.0,1.0,0.005077930093882671,-0.005077930093882671,dB,bcc,4.840421 +23,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,53.0,1.0,0.0009669262179926312,-0.0009669262179926312,dB,bcc,4.8406199999999995 +24,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,55.0,1.0,0.0243601629872025,0.0243601629872025,dB,bcc,4.841846 +25,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,57.0,1.0,0.0009669262179926312,-0.0009669262179926312,dB,bcc,4.8406199999999995 +26,Tetra,allKp,DMol3,V,PBE,4.84066680567647,0.000298661270342481,59.0,1.0,0.005375175238760879,0.005375175238760879,dB,bcc,4.840927 +0,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,7.0,1.0,0.011689803554256348,0.011689803554256348,B,fcc,167.56579 +1,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,9.0,1.0,0.7247086426631171,0.7247086426631171,B,fcc,168.760426 +2,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,11.0,1.0,0.17723697387725296,0.17723697387725296,B,fcc,167.84315800000005 +3,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,13.0,1.0,0.3095224868946805,-0.3095224868946805,B,fcc,167.027611 +4,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,15.0,1.0,0.04972668779804066,-0.04972668779804066,B,fcc,167.462889 +5,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,17.0,1.0,0.057162036347500327,0.057162036347500327,B,fcc,167.641977 +6,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,19.0,1.0,0.1026547743727996,-0.1026547743727996,B,fcc,167.37421 +7,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,21.0,1.0,0.052978712687974217,0.052978712687974217,B,fcc,167.634968 +8,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,23.0,1.0,0.04082168152038213,-0.04082168152038213,B,fcc,167.477809 +9,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,25.0,1.0,0.007227750810846941,0.007227750810846941,B,fcc,167.558314 +10,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,27.0,1.0,0.031274848862215814,0.031274848862215814,B,fcc,167.598604 +11,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,29.0,1.0,0.006234591933765668,0.006234591933765668,B,fcc,167.55665 +12,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,31.0,1.0,0.027312572131097636,-0.027312572131097636,B,fcc,167.500443 +13,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,33.0,1.0,0.015934005943025388,0.015934005943025388,B,fcc,167.572901 +14,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,35.0,1.0,0.023335161820457032,-0.023335161820457032,B,fcc,167.50710700000005 +15,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,37.0,1.0,0.002715562643362096,0.002715562643362096,B,fcc,167.550754 +16,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,39.0,1.0,6.934079441499147e-05,-6.934079441499147e-05,B,fcc,167.546088 +17,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,41.0,1.0,0.0016095990620898875,0.0016095990620898875,B,fcc,167.548901 +18,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,43.0,1.0,0.011808192233338682,-0.011808192233338682,B,fcc,167.52642 +19,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,45.0,1.0,0.010139995682001308,-0.010139995682001308,B,fcc,167.529215 +20,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,47.0,1.0,0.003935524629378677,0.003935524629378677,B,fcc,167.552798 +21,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,49.0,1.0,0.007917922064591548,-0.007917922064591548,B,fcc,167.532938 +22,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,51.0,1.0,0.0025414946819506644,-0.0025414946819506644,B,fcc,167.541946 +23,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,53.0,1.0,0.0026256505723672467,-0.0026256505723672467,B,fcc,167.541805 +24,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,55.0,1.0,0.002881487023088392,0.002881487023088392,B,fcc,167.55103200000005 +25,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,57.0,1.0,0.0056039335030406605,-0.0056039335030406605,B,fcc,167.536815 +26,Tetra,allKp,DMol3,V,PBE,167.546204177869,0.00342556932476132,59.0,1.0,0.0007549094515309536,0.0007549094515309536,B,fcc,167.547469 +0,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,7.0,1.0,0.03414132636240367,0.03414132636240367,E0,fcc,-5.232663 +1,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,9.0,1.0,0.12267332402448435,0.12267332402448435,E0,fcc,-5.237294 +2,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,11.0,1.0,0.013571162362332002,0.013571162362332002,E0,fcc,-5.231587 +3,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,13.0,1.0,0.0009388325039051137,-0.0009388325039051137,E0,fcc,-5.230828 +4,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,15.0,1.0,0.001393472336256382,0.001393472336256382,E0,fcc,-5.23095 +5,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,17.0,1.0,0.0007626029942431197,0.0007626029942431197,E0,fcc,-5.230917 +6,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,19.0,1.0,4.03216228538636e-05,-4.03216228538636e-05,E0,fcc,-5.230875 +7,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,21.0,1.0,0.0037257771764178773,0.0037257771764178773,E0,fcc,-5.231072 +8,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,23.0,1.0,2.1204370063010267e-05,-2.1204370063010267e-05,E0,fcc,-5.230876 +9,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,25.0,1.0,0.000399375191301804,0.000399375191301804,E0,fcc,-5.230898000000002 +10,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,27.0,1.0,0.0010875962916536673,0.0010875962916536673,E0,fcc,-5.2309339999999995 +11,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,29.0,1.0,5.5264641083423535e-05,5.5264641083423535e-05,E0,fcc,-5.23088 +12,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,31.0,1.0,9.76733812264236e-05,-9.76733812264236e-05,E0,fcc,-5.230872 +13,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,33.0,1.0,0.0001890854106024173,0.0001890854106024173,E0,fcc,-5.230887 +14,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,35.0,1.0,7.855612843557028e-05,-7.855612843557028e-05,E0,fcc,-5.230873 +15,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,37.0,1.0,7.438189387427686e-05,7.438189387427686e-05,E0,fcc,-5.230881 +16,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,39.0,1.0,7.438189387427686e-05,7.438189387427686e-05,E0,fcc,-5.230881 +17,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,41.0,1.0,9.34991466651302e-05,9.34991466651302e-05,E0,fcc,-5.230882 +18,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,43.0,1.0,0.00015502513958200406,-0.00015502513958200406,E0,fcc,-5.230869 +19,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,45.0,1.0,9.76733812264236e-05,-9.76733812264236e-05,E0,fcc,-5.230872 +20,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,47.0,1.0,1.7030135501716867e-05,1.7030135501716867e-05,E0,fcc,-5.230878 +21,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,49.0,1.0,2.0871172721569347e-06,-2.0871172721569347e-06,E0,fcc,-5.2308769999999996 +22,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,51.0,1.0,2.1204370063010267e-05,-2.1204370063010267e-05,E0,fcc,-5.230876 +23,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,53.0,1.0,3.61473882925702e-05,3.61473882925702e-05,E0,fcc,-5.230879 +24,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,55.0,1.0,4.03216228538636e-05,-4.03216228538636e-05,E0,fcc,-5.230875 +25,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,57.0,1.0,2.0871172721569347e-06,-2.0871172721569347e-06,E0,fcc,-5.2308769999999996 +26,Tetra,allKp,DMol3,V,PBE,-5.23087710917454,1.10359186555784e-06,59.0,1.0,3.61473882925702e-05,3.61473882925702e-05,E0,fcc,-5.230879 +0,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,7.0,1.0,0.5738912482500103,-0.5738912482500103,v0,fcc,13.9109 +1,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,9.0,1.0,0.13575852739928335,-0.13575852739928335,v0,fcc,13.9722 +2,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,11.0,1.0,0.04364002551021638,0.04364002551021638,v0,fcc,13.9973 +3,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,13.0,1.0,0.007188526711878183,0.007188526711878183,v0,fcc,13.9922 +4,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,15.0,1.0,0.02354508992202676,-0.02354508992202676,v0,fcc,13.9879 +5,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,17.0,1.0,0.0064737914413240255,0.0064737914413240255,v0,fcc,13.9921 +6,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,19.0,1.0,0.0036148503590947008,0.0036148503590947008,v0,fcc,13.9917 +7,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,21.0,1.0,0.0071061786992430535,-0.0071061786992430535,v0,fcc,13.9902 +8,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,23.0,1.0,0.005676708158134737,-0.005676708158134737,v0,fcc,13.9904 +9,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,25.0,1.0,0.004329585629648858,0.004329585629648858,v0,fcc,13.9918 +10,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,27.0,1.0,0.0028177670759054114,-0.0028177670759054114,v0,fcc,13.9908 +11,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,29.0,1.0,0.003532502346459569,-0.003532502346459569,v0,fcc,13.9907 +12,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,31.0,1.0,0.0007559092768780713,0.0007559092768780713,v0,fcc,13.9913 +13,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,33.0,1.0,0.004329585629648858,0.004329585629648858,v0,fcc,13.9918 +14,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,35.0,1.0,0.0007559092768780713,0.0007559092768780713,v0,fcc,13.9913 +15,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,37.0,1.0,0.002103031805351255,-0.002103031805351255,v0,fcc,13.9909 +16,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,39.0,1.0,0.0007559092768780713,0.0007559092768780713,v0,fcc,13.9913 +17,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,41.0,1.0,0.0007559092768780713,0.0007559092768780713,v0,fcc,13.9913 +18,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,43.0,1.0,0.001388296534797097,-0.001388296534797097,v0,fcc,13.991 +19,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,45.0,1.0,4.117400631121755e-05,4.117400631121755e-05,v0,fcc,13.9912 +20,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,47.0,1.0,4.117400631121755e-05,4.117400631121755e-05,v0,fcc,13.9912 +21,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,49.0,1.0,0.0007559092768780713,0.0007559092768780713,v0,fcc,13.9913 +22,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,51.0,1.0,0.0007559092768780713,0.0007559092768780713,v0,fcc,13.9913 +23,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,53.0,1.0,0.0007559092768780713,0.0007559092768780713,v0,fcc,13.9913 +24,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,55.0,1.0,0.0006735612642429397,-0.0006735612642429397,v0,fcc,13.9911 +25,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,57.0,1.0,4.117400631121755e-05,4.117400631121755e-05,v0,fcc,13.9912 +26,Tetra,allKp,DMol3,V,PBE,13.9911942392648,3.783149500287221e-05,59.0,1.0,4.117400631121755e-05,4.117400631121755e-05,v0,fcc,13.9912 +0,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,7.0,1.0,5.393060348553438,5.393060348553438,dB,fcc,3.727272 +1,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,9.0,1.0,3.0720656444936467,3.0720656444936467,dB,fcc,3.645189 +2,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,11.0,1.0,2.146531879864201,-2.146531879864201,dB,fcc,3.460631 +3,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,13.0,1.0,0.9068753270982696,-0.9068753270982696,dB,fcc,3.5044720000000003 +4,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,15.0,1.0,0.9375241533838168,0.9375241533838168,dB,fcc,3.5697 +5,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,17.0,1.0,0.21000856441230092,-0.21000856441230092,dB,fcc,3.529117 +6,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,19.0,1.0,0.4112219498159551,-0.4112219498159551,dB,fcc,3.5220010000000004 +7,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,21.0,1.0,0.5484154692157555,0.5484154692157555,dB,fcc,3.555939 +8,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,23.0,1.0,0.4529833197304534,0.4529833197304534,dB,fcc,3.552564 +9,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,25.0,1.0,0.2652602444402341,-0.2652602444402341,dB,fcc,3.527163 +10,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,27.0,1.0,0.04583442478561798,0.04583442478561798,dB,fcc,3.5381650000000002 +11,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,29.0,1.0,0.10781583861430366,0.10781583861430366,dB,fcc,3.5403569999999998 +12,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,31.0,1.0,0.054404677414493084,-0.054404677414493084,dB,fcc,3.53462 +13,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,33.0,1.0,0.31129388573269084,-0.31129388573269084,dB,fcc,3.5255349999999996 +14,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,35.0,1.0,0.14228708351827862,-0.14228708351827862,dB,fcc,3.531512 +15,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,37.0,1.0,0.06280014024968175,0.06280014024968175,dB,fcc,3.538765 +16,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,39.0,1.0,0.06500824957952668,-0.06500824957952668,dB,fcc,3.534245 +17,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,41.0,1.0,0.10139970924990904,-0.10139970924990904,dB,fcc,3.5329580000000003 +18,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,43.0,1.0,0.1221235919889792,0.1221235919889792,dB,fcc,3.540863 +19,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,45.0,1.0,0.053101406242731915,0.053101406242731915,dB,fcc,3.538422 +20,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,47.0,1.0,0.0336499521634678,-0.0336499521634678,dB,fcc,3.535354 +21,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,49.0,1.0,0.08095602211573054,-0.08095602211573054,dB,fcc,3.5336809999999996 +22,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,51.0,1.0,0.09017406085120702,-0.09017406085120702,dB,fcc,3.5333550000000002 +23,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,53.0,1.0,0.020558075063697664,-0.020558075063697664,dB,fcc,3.5358169999999998 +24,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,55.0,1.0,0.028670775974496156,0.028670775974496156,dB,fcc,3.537558 +25,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,57.0,1.0,0.013175422517321593,0.013175422517321593,dB,fcc,3.53701 +26,Tetra,allKp,DMol3,V,PBE,3.53654404537951,0.000753863503779318,59.0,1.0,0.02301810380597762,-0.02301810380597762,dB,fcc,3.5357300000000005 +0,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,9.0,1.0,0.8679661573868067,-0.8679661573868067,B,bcc,300.930476 +1,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,11.0,1.0,0.16378476774166972,0.16378476774166972,B,bcc,304.062514 +2,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,13.0,1.0,0.030598934895768426,0.030598934895768426,B,bcc,303.658208 +3,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,15.0,1.0,0.0049553600838883405,0.0049553600838883405,B,bcc,303.580363 +4,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,17.0,1.0,0.056730869373638075,-0.056730869373638075,B,bcc,303.393105 +5,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,19.0,1.0,0.054322491501584684,-0.054322491501584684,B,bcc,303.400416 +6,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,21.0,1.0,0.010304126532877432,0.010304126532877432,B,bcc,303.5966 +7,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,23.0,1.0,0.010363254032638559,-0.010363254032638559,B,bcc,303.533861 +8,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,25.0,1.0,0.0028485616489516887,-0.0028485616489516887,B,bcc,303.556673 +9,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,27.0,1.0,0.0076491758917805065,-0.0076491758917805065,B,bcc,303.5421 +10,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,29.0,1.0,0.008631501540015983,-0.008631501540015983,B,bcc,303.5391180000001 +11,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,31.0,1.0,0.0107048609062955,-0.0107048609062955,B,bcc,303.532824 +12,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,33.0,1.0,0.008295165360672992,-0.008295165360672992,B,bcc,303.540139 +13,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,35.0,1.0,0.002424270758626194,-0.002424270758626194,B,bcc,303.557961 +14,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,37.0,1.0,0.0004044449830453123,0.0004044449830453123,B,bcc,303.566548 +15,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,39.0,1.0,0.004533207311328257,-0.004533207311328257,B,bcc,303.551559 +16,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,41.0,1.0,0.012347341014366455,-0.012347341014366455,B,bcc,303.527838 +17,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,43.0,1.0,0.002424767987999034,0.002424767987999034,B,bcc,303.572681 +18,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,45.0,1.0,0.0020624077555722034,0.0020624077555722034,B,bcc,303.571581 +19,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,47.0,1.0,0.005641370785752196,-0.005641370785752196,B,bcc,303.548195 +20,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,49.0,1.0,0.0038206753270264467,-0.0038206753270264467,B,bcc,303.553722 +21,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,51.0,1.0,0.00684539501259211,-0.00684539501259211,B,bcc,303.54454 +22,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,53.0,1.0,0.000545597662690432,-0.000545597662690432,B,bcc,303.563664 +23,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,55.0,1.0,0.0012390233802024818,-0.0012390233802024818,B,bcc,303.561559 +24,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,57.0,1.0,0.005055006046012407,-0.005055006046012407,B,bcc,303.549975 +25,Tetra,allKp,DMol3,W,PBE,303.565320245292,0.0047788742871596,59.0,1.0,0.0016176929248691,0.0016176929248691,B,bcc,303.570231 +0,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,9.0,1.0,0.03118785021552089,-0.03118785021552089,E0,bcc,-11.326704 +1,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,11.0,1.0,0.030181693032895637,-0.030181693032895637,E0,bcc,-11.326818 +2,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,13.0,1.0,0.008187450058304001,-0.008187450058304001,E0,bcc,-11.329310000000001 +3,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,15.0,1.0,0.0099791159185854,-0.0099791159185854,E0,bcc,-11.329107 +4,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,17.0,1.0,0.007269552277660119,-0.007269552277660119,E0,bcc,-11.329414 +5,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,19.0,1.0,0.0037656540188711453,-0.0037656540188711453,E0,bcc,-11.329811 +6,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,21.0,1.0,0.004754159321096988,-0.004754159321096988,E0,bcc,-11.329699 +7,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,23.0,1.0,0.001153175720119098,-0.001153175720119098,E0,bcc,-11.330107 +8,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,25.0,1.0,0.0030860566235800984,-0.0030860566235800984,E0,bcc,-11.329888 +9,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,27.0,1.0,0.0011178719593202783,-0.0011178719593202783,E0,bcc,-11.330111 +10,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,29.0,1.0,0.001073742258329593,-0.001073742258329593,E0,bcc,-11.330116 +11,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,31.0,1.0,0.0017180358928218194,-0.0017180358928218194,E0,bcc,-11.330043 +12,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,33.0,1.0,0.0006412711886146057,-0.0006412711886146057,E0,bcc,-11.330165 +13,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,35.0,1.0,0.0009590050357569471,-0.0009590050357569471,E0,bcc,-11.330129 +14,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,37.0,1.0,0.00038531892284668167,-0.00038531892284668167,E0,bcc,-11.330194 +15,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,39.0,1.0,0.0004824042650355962,-0.0004824042650355962,E0,bcc,-11.330183 +16,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,41.0,1.0,0.0007471824709953861,-0.0007471824709953861,E0,bcc,-11.330153 +17,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,43.0,1.0,0.00022645199928335,-0.00022645199928335,E0,bcc,-11.330212 +18,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,45.0,1.0,0.00043827456404491077,-0.00043827456404491077,E0,bcc,-11.330188 +19,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,47.0,1.0,0.00030588546107285485,-0.00030588546107285485,E0,bcc,-11.330203 +20,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,49.0,1.0,0.00024410387968275976,-0.00024410387968275976,E0,bcc,-11.330210000000001 +21,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,51.0,1.0,0.00036766704244727184,-0.00036766704244727184,E0,bcc,-11.330196 +22,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,53.0,1.0,0.0001381925973019794,-0.0001381925973019794,E0,bcc,-11.330222000000001 +23,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,55.0,1.0,0.00021762605907580616,-0.00021762605907580616,E0,bcc,-11.330213 +24,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,57.0,1.0,0.00023527793947521593,-0.00023527793947521593,E0,bcc,-11.330211 +25,Tetra,allKp,DMol3,W,PBE,-11.330237657549699,4.37827966580831e-06,59.0,1.0,0.00012054071690256962,-0.00012054071690256962,E0,bcc,-11.330224000000001 +0,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,9.0,1.0,0.08419171713118477,0.08419171713118477,v0,bcc,16.2973 +1,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,11.0,1.0,0.0019002842552094687,0.0019002842552094687,v0,bcc,16.2839 +2,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,13.0,1.0,0.020937854547410917,0.020937854547410917,v0,bcc,16.287 +3,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,15.0,1.0,0.011112011815952809,0.011112011815952809,v0,bcc,16.2854 +4,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,17.0,1.0,0.014796702840241418,0.014796702840241418,v0,bcc,16.285999999999998 +5,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,19.0,1.0,0.0006720539137799326,0.0006720539137799326,v0,bcc,16.2837 +6,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,21.0,1.0,0.0037426297673537733,0.0037426297673537733,v0,bcc,16.2842 +7,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,23.0,1.0,0.0037426297673537733,0.0037426297673537733,v0,bcc,16.2842 +8,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,25.0,1.0,0.001286169084494701,0.001286169084494701,v0,bcc,16.2838 +9,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,27.0,1.0,0.000556176427649604,-0.000556176427649604,v0,bcc,16.2835 +10,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,29.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +11,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,31.0,1.0,0.001286169084494701,0.001286169084494701,v0,bcc,16.2838 +12,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,33.0,1.0,0.0006720539137799326,0.0006720539137799326,v0,bcc,16.2837 +13,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,35.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +14,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,37.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +15,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,39.0,1.0,0.0006720539137799326,0.0006720539137799326,v0,bcc,16.2837 +16,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,41.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +17,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,43.0,1.0,0.000556176427649604,-0.000556176427649604,v0,bcc,16.2835 +18,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,45.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +19,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,47.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +20,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,49.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +21,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,51.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +22,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,53.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +23,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,55.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +24,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,57.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +25,Tetra,allKp,DMol3,W,PBE,16.2835905654923,9.35093801522371e-06,59.0,1.0,5.79387430651643e-05,5.79387430651643e-05,v0,bcc,16.2836 +0,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,9.0,1.0,1.3840242624792525,-1.3840242624792525,dB,bcc,3.980692 +1,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,11.0,1.0,1.5374244592060458,1.5374244592060458,dB,bcc,4.098618 +2,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,13.0,1.0,0.44465980825488577,-0.44465980825488577,dB,bcc,4.01861 +3,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,15.0,1.0,0.226778421684546,0.226778421684546,dB,bcc,4.045713 +4,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,17.0,1.0,0.4396059987538081,-0.4396059987538081,dB,bcc,4.018814 +5,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,19.0,1.0,0.16685114137523405,0.16685114137523405,dB,bcc,4.043294 +6,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,21.0,1.0,0.012313574376652692,0.012313574376652692,dB,bcc,4.037056 +7,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,23.0,1.0,0.16345494724161702,-0.16345494724161702,dB,bcc,4.029961 +8,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,25.0,1.0,0.1006065991895531,0.1006065991895531,dB,bcc,4.04062 +9,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,27.0,1.0,0.01981996790032365,0.01981996790032365,dB,bcc,4.0373589999999995 +10,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,29.0,1.0,0.07075444012683718,0.07075444012683718,dB,bcc,4.039415 +11,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,31.0,1.0,0.009611040370643156,-0.009611040370643156,dB,bcc,4.0361709999999995 +12,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,33.0,1.0,0.0075548335638317594,-0.0075548335638317594,dB,bcc,4.0362540000000005 +13,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,35.0,1.0,0.056261898175222896,0.056261898175222896,dB,bcc,4.03883 +14,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,37.0,1.0,0.002404143982388592,0.002404143982388592,dB,bcc,4.036656 +15,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,39.0,1.0,0.039215463673511836,-0.039215463673511836,dB,bcc,4.034976 +16,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,41.0,1.0,0.018209685461250503,0.018209685461250503,dB,bcc,4.037294 +17,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,43.0,1.0,0.01845742122109776,0.01845742122109776,dB,bcc,4.037304 +18,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,45.0,1.0,0.019101534196727013,0.019101534196727013,dB,bcc,4.03733 +19,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,47.0,1.0,0.001611389550846583,0.001611389550846583,dB,bcc,4.036624 +20,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,49.0,1.0,0.018135364733327133,0.018135364733327133,dB,bcc,4.0372910000000015 +21,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,51.0,1.0,0.030571699878086007,0.030571699878086007,dB,bcc,4.037793 +22,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,53.0,1.0,0.01813315050975825,-0.01813315050975825,dB,bcc,4.035826999999999 +23,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,55.0,1.0,0.0031699106144165955,-0.0031699106144165955,dB,bcc,4.036430999999999 +24,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,57.0,1.0,0.0022059553745195923,0.0022059553745195923,dB,bcc,4.0366480000000005 +25,Tetra,allKp,DMol3,W,PBE,4.03655895531078,0.00025879038804448197,59.0,1.0,0.006987255539760768,0.006987255539760768,dB,bcc,4.036841000000001 +0,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,7.0,1.0,3.2692476647237516,-3.2692476647237516,B,fcc,269.44617400000004 +1,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,9.0,1.0,0.5949273862118934,0.5949273862118934,B,fcc,280.20994 +2,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,11.0,1.0,0.7787065784040096,0.7787065784040096,B,fcc,280.721862 +3,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,13.0,1.0,0.5403821598504046,-0.5403821598504046,B,fcc,277.047504 +4,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,15.0,1.0,0.12531607777088666,-0.12531607777088666,B,fcc,278.20368199999996 +5,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,17.0,1.0,0.24603225299577075,0.24603225299577075,B,fcc,279.238083 +6,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,19.0,1.0,0.05270801065535969,0.05270801065535969,B,fcc,278.699573 +7,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,21.0,1.0,0.235853211627316,0.235853211627316,B,fcc,279.209729 +8,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,23.0,1.0,0.15869072543465454,-0.15869072543465454,B,fcc,278.110716 +9,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,25.0,1.0,0.017903030739766543,-0.017903030739766543,B,fcc,278.502884 +10,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,27.0,1.0,0.016082549721947743,-0.016082549721947743,B,fcc,278.507955 +11,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,29.0,1.0,0.03048305358073073,-0.03048305358073073,B,fcc,278.467842 +12,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,31.0,1.0,0.05942299368916343,-0.05942299368916343,B,fcc,278.387229 +13,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,33.0,1.0,0.019569142434443184,-0.019569142434443184,B,fcc,278.498243 +14,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,35.0,1.0,0.031613539623945135,-0.031613539623945135,B,fcc,278.464693 +15,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,37.0,1.0,0.04973003618941736,-0.04973003618941736,B,fcc,278.414229 +16,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,39.0,1.0,0.0072939092570678,-0.0072939092570678,B,fcc,278.53243599999996 +17,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,41.0,1.0,0.023118200873053676,-0.023118200873053676,B,fcc,278.488357 +18,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,43.0,1.0,0.018962794093070258,-0.018962794093070258,B,fcc,278.499932 +19,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,45.0,1.0,0.0005788437002919423,-0.0005788437002919423,B,fcc,278.55114100000003 +20,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,47.0,1.0,0.02403580084970639,-0.02403580084970639,B,fcc,278.485801 +21,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,49.0,1.0,0.008637640365268909,-0.008637640365268909,B,fcc,278.52869300000003 +22,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,51.0,1.0,0.010536383039944029,-0.010536383039944029,B,fcc,278.523404 +23,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,53.0,1.0,0.008461372138160306,-0.008461372138160306,B,fcc,278.529184 +24,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,55.0,1.0,0.0056593894238736965,-0.0056593894238736965,B,fcc,278.536989 +25,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,57.0,1.0,0.003715053949120236,-0.003715053949120236,B,fcc,278.542405 +26,Tetra,allKp,DMol3,W,PBE,278.552753385065,0.00665394222580979,59.0,1.0,0.0061627052170033685,-0.0061627052170033685,B,fcc,278.535587 +0,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,7.0,1.0,0.13902634808677009,-0.13902634808677009,E0,fcc,-10.722622 +1,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,9.0,1.0,0.040763268328905734,0.040763268328905734,E0,fcc,-10.741927 +2,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,11.0,1.0,0.040437309428381016,0.040437309428381016,E0,fcc,-10.741892 +3,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,13.0,1.0,0.0070874982675091435,-0.0070874982675091435,E0,fcc,-10.736789 +4,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,15.0,1.0,0.008083560273854191,0.008083560273854191,E0,fcc,-10.738418 +5,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,17.0,1.0,0.005345505509479738,0.005345505509479738,E0,fcc,-10.738124000000001 +6,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,19.0,1.0,0.0002512335499240107,0.0002512335499240107,E0,fcc,-10.737577 +7,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,21.0,1.0,0.0059508577533137,0.0059508577533137,E0,fcc,-10.738189 +8,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,23.0,1.0,0.002328498319914596,-0.002328498319914596,E0,fcc,-10.7373 +9,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,25.0,1.0,0.00048406133601781377,0.00048406133601781377,E0,fcc,-10.737602 +10,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,27.0,1.0,0.00029779910715600603,0.00029779910715600603,E0,fcc,-10.737582000000002 +11,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,29.0,1.0,0.00042862358545136566,-0.00042862358545136566,E0,fcc,-10.737504 +12,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,31.0,1.0,0.0004938153655563071,-0.0004938153655563071,E0,fcc,-10.737497 +13,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,33.0,1.0,0.00019579579935756256,-0.00019579579935756256,E0,fcc,-10.737528999999999 +14,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,35.0,1.0,0.0003261793595674454,-0.0003261793595674454,E0,fcc,-10.737515 +15,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,37.0,1.0,0.0005590071456612483,-0.0005590071456612483,E0,fcc,-10.73749 +16,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,39.0,1.0,7.472535060069625e-05,-7.472535060069625e-05,E0,fcc,-10.737542 +17,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,41.0,1.0,0.000260987579462504,-0.000260987579462504,E0,fcc,-10.737522 +18,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,43.0,1.0,0.0002423613565730145,-0.0002423613565730145,E0,fcc,-10.737524 +19,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,45.0,1.0,1.884668193222789e-05,-1.884668193222789e-05,E0,fcc,-10.737548 +20,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,47.0,1.0,0.000251674468026031,-0.000251674468026031,E0,fcc,-10.737523 +21,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,49.0,1.0,4.6786016258190367e-05,-4.6786016258190367e-05,E0,fcc,-10.737544999999999 +22,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,51.0,1.0,0.00011197779636313176,-0.00011197779636313176,E0,fcc,-10.737538 +23,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,53.0,1.0,9.335157349018571e-05,-9.335157349018571e-05,E0,fcc,-10.73754 +24,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,55.0,1.0,2.815979338524432e-05,-2.815979338524432e-05,E0,fcc,-10.737547 +25,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,57.0,1.0,3.7472904821717344e-05,-3.7472904821717344e-05,E0,fcc,-10.737546 +26,Tetra,allKp,DMol3,W,PBE,-10.7375500236719,3.6933581538752885e-06,59.0,1.0,5.6099127711206796e-05,-5.6099127711206796e-05,E0,fcc,-10.737544 +0,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,7.0,1.0,0.11993292211883624,-0.11993292211883624,v0,fcc,16.5558 +1,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,9.0,1.0,0.166989815969196,-0.166989815969196,v0,fcc,16.548 +2,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,11.0,1.0,0.07890896337752333,-0.07890896337752333,v0,fcc,16.5626 +3,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,13.0,1.0,0.04114644529193485,0.04114644529193485,v0,fcc,16.5825 +4,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,15.0,1.0,0.052364048897841436,-0.052364048897841436,v0,fcc,16.567 +5,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,17.0,1.0,0.0007257800615223316,0.0007257800615223316,v0,fcc,16.5758 +6,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,19.0,1.0,0.02702572143996036,-0.02702572143996036,v0,fcc,16.5712 +7,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,21.0,1.0,0.008926916112905497,-0.008926916112905497,v0,fcc,16.5742 +8,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,23.0,1.0,0.00374224761602433,0.00374224761602433,v0,fcc,16.5763 +9,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,25.0,1.0,0.016769731754632127,-0.016769731754632127,v0,fcc,16.5729 +10,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,27.0,1.0,0.0071170355802042985,-0.0071170355802042985,v0,fcc,16.5745 +11,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,29.0,1.0,0.007720329091104697,-0.007720329091104697,v0,fcc,16.5744 +12,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,31.0,1.0,0.00012248655062193175,0.00012248655062193175,v0,fcc,16.5757 +13,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,33.0,1.0,0.010133503134706295,-0.010133503134706295,v0,fcc,16.574 +14,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,35.0,1.0,0.0013290735724227312,0.0013290735724227312,v0,fcc,16.5759 +15,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,37.0,1.0,0.004100568025702299,-0.004100568025702299,v0,fcc,16.575 +16,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,39.0,1.0,0.0028939810039015,-0.0028939810039015,v0,fcc,16.5752 +17,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,41.0,1.0,0.0007257800615223316,0.0007257800615223316,v0,fcc,16.5758 +18,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,43.0,1.0,0.0028939810039015,-0.0028939810039015,v0,fcc,16.5752 +19,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,45.0,1.0,0.000480806960278468,-0.000480806960278468,v0,fcc,16.5756 +20,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,47.0,1.0,0.000480806960278468,-0.000480806960278468,v0,fcc,16.5756 +21,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,49.0,1.0,0.0010841004711788676,-0.0010841004711788676,v0,fcc,16.5755 +22,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,51.0,1.0,0.000480806960278468,-0.000480806960278468,v0,fcc,16.5756 +23,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,53.0,1.0,0.00012248655062193175,0.00012248655062193175,v0,fcc,16.5757 +24,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,55.0,1.0,0.0016873939821007008,-0.0016873939821007008,v0,fcc,16.5754 +25,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,57.0,1.0,0.000480806960278468,-0.000480806960278468,v0,fcc,16.5756 +26,Tetra,allKp,DMol3,W,PBE,16.575679697021698,6.082468961998841e-05,59.0,1.0,0.000480806960278468,-0.000480806960278468,v0,fcc,16.5756 +0,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,7.0,1.0,14.925075555462346,-14.925075555462346,dB,fcc,3.3850510000000003 +1,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,9.0,1.0,3.5684264119656586,3.5684264119656586,dB,fcc,4.12089 +2,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,11.0,1.0,2.7765252576483617,2.7765252576483617,dB,fcc,4.0893809999999995 +3,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,13.0,1.0,2.9813895684776,-2.9813895684776,dB,fcc,3.8602790000000002 +4,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,15.0,1.0,1.2250433934725014,1.2250433934725014,dB,fcc,4.027648999999999 +5,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,17.0,1.0,0.421581271463916,0.421581271463916,dB,fcc,3.99568 +6,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,19.0,1.0,0.44540691792342224,0.44540691792342224,dB,fcc,3.996628 +7,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,21.0,1.0,0.05454567980280008,0.05454567980280008,dB,fcc,3.9810760000000003 +8,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,23.0,1.0,0.7213209149773999,-0.7213209149773999,dB,fcc,3.9502050000000004 +9,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,25.0,1.0,0.4956971273806951,0.4956971273806951,dB,fcc,3.998629 +10,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,27.0,1.0,0.413614256772288,0.413614256772288,dB,fcc,3.9953629999999998 +11,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,29.0,1.0,0.22283315732696324,0.22283315732696324,dB,fcc,3.987772 +12,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,31.0,1.0,0.2394296225568228,-0.2394296225568228,dB,fcc,3.969379 +13,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,33.0,1.0,0.5910499782956687,0.5910499782956687,dB,fcc,4.002423 +14,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,35.0,1.0,0.23596133224942045,-0.23596133224942045,dB,fcc,3.9695169999999997 +15,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,37.0,1.0,0.12519324541218804,0.12519324541218804,dB,fcc,3.983887 +16,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,39.0,1.0,0.10657003441376847,0.10657003441376847,dB,fcc,3.983146 +17,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,41.0,1.0,0.1923815105608196,-0.1923815105608196,dB,fcc,3.971251 +18,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,43.0,1.0,0.09292306603031412,0.09292306603031412,dB,fcc,3.9826029999999997 +19,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,45.0,1.0,0.04213919565051826,-0.04213919565051826,dB,fcc,3.977229 +20,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,47.0,1.0,0.04759295649620073,-0.04759295649620073,dB,fcc,3.977012 +21,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,49.0,1.0,0.034816637112168515,0.034816637112168515,dB,fcc,3.9802910000000002 +22,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,51.0,1.0,0.0061655432684521155,0.0061655432684521155,dB,fcc,3.9791510000000003 +23,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,53.0,1.0,0.05804809249532247,-0.05804809249532247,dB,fcc,3.976596 +24,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,55.0,1.0,0.08020600156985369,0.08020600156985369,dB,fcc,3.982097 +25,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,57.0,1.0,0.0013993508078250293,-0.0013993508078250293,dB,fcc,3.97885 +26,Tetra,allKp,DMol3,W,PBE,3.97890567884876,0.00107793036711391,59.0,1.0,0.0024046523461965395,-0.0024046523461965395,dB,fcc,3.9788099999999997 +0,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,7.0,1.0,0.9469944595928096,0.9469944595928096,B,hcp,39.586809 +1,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,9.0,1.0,0.15188901486106265,-0.15188901486106265,B,hcp,39.155877000000004 +2,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,11.0,1.0,0.08228377942091841,-0.08228377942091841,B,hcp,39.183173 +3,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,13.0,1.0,0.05343571962037029,0.05343571962037029,B,hcp,39.236396 +4,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,15.0,1.0,0.041983597977572805,0.041983597977572805,B,hcp,39.231905 +5,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,17.0,1.0,0.021733650628179405,-0.021733650628179405,B,hcp,39.206918 +6,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,19.0,1.0,0.015486111544501172,-0.015486111544501172,B,hcp,39.209368 +7,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,21.0,1.0,0.0014533737577401538,-0.0014533737577401538,B,hcp,39.214871 +8,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,23.0,1.0,0.012796115385,0.012796115385,B,hcp,39.22045900000001 +9,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,25.0,1.0,0.009840376225603494,-0.009840376225603494,B,hcp,39.211582 +10,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,27.0,1.0,0.01506535891232769,-0.01506535891232769,B,hcp,39.209533 +11,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,29.0,1.0,0.009654225061068005,-0.009654225061068005,B,hcp,39.211655 +12,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,31.0,1.0,0.005696870973136097,0.005696870973136097,B,hcp,39.217675 +13,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,33.0,1.0,0.005949051882053268,-0.005949051882053268,B,hcp,39.213108 +14,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,35.0,1.0,0.003531636759056086,-0.003531636759056086,B,hcp,39.214056 +15,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,37.0,1.0,0.0011065715882025236,-0.0011065715882025236,B,hcp,39.215007 +16,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,39.0,1.0,0.0004996677914935517,-0.0004996677914935517,B,hcp,39.215245 +17,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,41.0,1.0,0.004651093762215121,-0.004651093762215121,B,hcp,39.213617 +18,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,43.0,1.0,0.004651093762215121,-0.004651093762215121,B,hcp,39.213617 +19,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,45.0,1.0,0.003098134047134048,-0.003098134047134048,B,hcp,39.214226000000004 +20,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,47.0,1.0,0.003098134047134048,-0.003098134047134048,B,hcp,39.214226000000004 +21,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,49.0,1.0,0.0005940183817524599,-0.0005940183817524599,B,hcp,39.215208000000004 +22,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,51.0,1.0,0.003531636759056086,-0.003531636759056086,B,hcp,39.214056 +23,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,53.0,1.0,0.0005940183817524599,-0.0005940183817524599,B,hcp,39.215208000000004 +24,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,55.0,1.0,0.0005940183817524599,-0.0005940183817524599,B,hcp,39.215208000000004 +25,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,57.0,1.0,0.0008515699929414763,-0.0008515699929414763,B,hcp,39.215107 +26,Tetra,allKp,DMol3,Y,PBE,39.21544094692771,0.00019291574277116293,59.0,1.0,0.0008515699929414763,-0.0008515699929414763,B,hcp,39.215107 +0,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,7.0,1.0,0.01102911074110316,0.01102911074110316,E0,hcp,-4.463417 +1,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,9.0,1.0,0.017975228261449296,0.017975228261449296,E0,hcp,-4.463727 +2,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,11.0,1.0,0.0018772237483150726,-0.0018772237483150726,E0,hcp,-4.462841 +3,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,13.0,1.0,0.001518714456951742,-0.001518714456951742,E0,hcp,-4.462857 +4,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,15.0,1.0,0.0010356642440791574,0.0010356642440791574,E0,hcp,-4.462971 +5,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,17.0,1.0,0.0004754934763102708,0.0004754934763102708,E0,hcp,-4.462946 +6,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,19.0,1.0,0.00019671144498851164,-0.00019671144498851164,E0,hcp,-4.462916000000001 +7,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,21.0,1.0,0.00010708412215265424,-0.00010708412215265424,E0,hcp,-4.4629199999999996 +8,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,23.0,1.0,0.00019671144498851164,-0.00019671144498851164,E0,hcp,-4.462916000000001 +9,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,25.0,1.0,4.9763692805120894e-05,4.9763692805120894e-05,E0,hcp,-4.462927 +10,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,27.0,1.0,8.467729145861586e-05,-8.467729145861586e-05,E0,hcp,-4.462921 +11,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,29.0,1.0,6.227046074467617e-05,-6.227046074467617e-05,E0,hcp,-4.462922 +12,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,31.0,1.0,8.467729145861586e-05,-8.467729145861586e-05,E0,hcp,-4.462921 +13,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,33.0,1.0,8.467729145861586e-05,-8.467729145861586e-05,E0,hcp,-4.462921 +14,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,35.0,1.0,3.986363003073652e-05,-3.986363003073652e-05,E0,hcp,-4.462923 +15,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,37.0,1.0,1.745679931679685e-05,-1.745679931679685e-05,E0,hcp,-4.462924 +16,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,39.0,1.0,4.9500313971428186e-06,4.9500313971428186e-06,E0,hcp,-4.462925 +17,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,41.0,1.0,8.467729145861586e-05,-8.467729145861586e-05,E0,hcp,-4.462921 +18,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,43.0,1.0,8.467729145861586e-05,-8.467729145861586e-05,E0,hcp,-4.462921 +19,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,45.0,1.0,3.986363003073652e-05,-3.986363003073652e-05,E0,hcp,-4.462923 +20,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,47.0,1.0,3.986363003073652e-05,-3.986363003073652e-05,E0,hcp,-4.462923 +21,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,49.0,1.0,4.9500313971428186e-06,4.9500313971428186e-06,E0,hcp,-4.462925 +22,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,51.0,1.0,6.227046074467617e-05,-6.227046074467617e-05,E0,hcp,-4.462922 +23,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,53.0,1.0,4.9500313971428186e-06,4.9500313971428186e-06,E0,hcp,-4.462925 +24,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,55.0,1.0,4.9500313971428186e-06,4.9500313971428186e-06,E0,hcp,-4.462925 +25,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,57.0,1.0,1.745679931679685e-05,-1.745679931679685e-05,E0,hcp,-4.462924 +26,Tetra,allKp,DMol3,Y,PBE,-4.462924779083823,4.4179776050275e-07,59.0,1.0,1.745679931679685e-05,-1.745679931679685e-05,E0,hcp,-4.462924 +0,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,7.0,1.0,0.1554005300131144,0.1554005300131144,v0,hcp,33.1748 +1,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,9.0,1.0,0.05305573583298359,0.05305573583298359,v0,hcp,33.1409 +2,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,11.0,1.0,0.006117065521920252,-0.006117065521920252,v0,hcp,33.1213 +3,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,13.0,1.0,0.005211359378724521,-0.005211359378724521,v0,hcp,33.1216 +4,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,15.0,1.0,0.0008266815758636319,0.0008266815758636319,v0,hcp,33.1236 +5,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,17.0,1.0,0.0026380938622336428,0.0026380938622336428,v0,hcp,33.1242 +6,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,19.0,1.0,0.0020342897667769717,0.0020342897667769717,v0,hcp,33.124 +7,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,21.0,1.0,0.004003751187811181,-0.004003751187811181,v0,hcp,33.122 +8,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,23.0,1.0,0.0014304856713203019,0.0014304856713203019,v0,hcp,33.1238 +9,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,25.0,1.0,0.0008266815758636319,0.0008266815758636319,v0,hcp,33.1236 +10,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,27.0,1.0,0.0002228774803855103,0.0002228774803855103,v0,hcp,33.1234 +11,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,29.0,1.0,0.0012866327582454393,-0.0012866327582454393,v0,hcp,33.1229 +12,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,31.0,1.0,7.902456733209907e-05,-7.902456733209907e-05,v0,hcp,33.1233 +13,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,33.0,1.0,0.0008266815758636319,0.0008266815758636319,v0,hcp,33.1236 +14,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,35.0,1.0,0.0005247795281245709,0.0005247795281245709,v0,hcp,33.1235 +15,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,37.0,1.0,0.0005247795281245709,0.0005247795281245709,v0,hcp,33.1235 +16,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,39.0,1.0,0.0003809266150711599,-0.0003809266150711599,v0,hcp,33.1232 +17,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,41.0,1.0,0.0006828286627887692,-0.0006828286627887692,v0,hcp,33.1231 +18,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,43.0,1.0,0.0006828286627887692,-0.0006828286627887692,v0,hcp,33.1231 +19,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,45.0,1.0,0.0002228774803855103,0.0002228774803855103,v0,hcp,33.1234 +20,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,47.0,1.0,0.0002228774803855103,0.0002228774803855103,v0,hcp,33.1234 +21,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,49.0,1.0,0.0002228774803855103,0.0002228774803855103,v0,hcp,33.1234 +22,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,51.0,1.0,0.0003809266150711599,-0.0003809266150711599,v0,hcp,33.1232 +23,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,53.0,1.0,0.0002228774803855103,0.0002228774803855103,v0,hcp,33.1234 +24,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,55.0,1.0,0.0002228774803855103,0.0002228774803855103,v0,hcp,33.1234 +25,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,57.0,1.0,7.902456733209907e-05,-7.902456733209907e-05,v0,hcp,33.1233 +26,Tetra,allKp,DMol3,Y,PBE,33.1233261755652,2.40231076054997e-05,59.0,1.0,7.902456733209907e-05,-7.902456733209907e-05,v0,hcp,33.1233 +0,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,7.0,1.0,2.47356713635992,2.47356713635992,dB,hcp,2.965164 +1,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,9.0,1.0,1.003291376464539,-1.003291376464539,dB,hcp,2.864558 +2,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,11.0,1.0,0.692362644183349,-0.692362644183349,dB,hcp,2.873555 +3,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,13.0,1.0,0.17593616637183426,0.17593616637183426,dB,hcp,2.89868 +4,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,15.0,1.0,0.3128595449756012,0.3128595449756012,dB,hcp,2.9026419999999997 +5,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,17.0,1.0,0.032939376354360936,-0.032939376354360936,dB,hcp,2.892636 +6,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,19.0,1.0,0.2081197413575057,-0.2081197413575057,dB,hcp,2.8875669999999998 +7,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,21.0,1.0,0.17541777902225333,0.17541777902225333,dB,hcp,2.8986650000000003 +8,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,23.0,1.0,0.07527434323714427,-0.07527434323714427,dB,hcp,2.891411 +9,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,25.0,1.0,0.039367379489210215,-0.039367379489210215,dB,hcp,2.89245 +10,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,27.0,1.0,0.024325146196475245,0.024325146196475245,dB,hcp,2.8942930000000002 +11,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,29.0,1.0,0.06997779211662243,0.06997779211662243,dB,hcp,2.895614 +12,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,31.0,1.0,0.061830831304577165,-0.061830831304577165,dB,hcp,2.8918 +13,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,33.0,1.0,0.0692956091386036,-0.0692956091386036,dB,hcp,2.891584 +14,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,35.0,1.0,0.05008071804731278,-0.05008071804731278,dB,hcp,2.89214 +15,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,37.0,1.0,0.06749853299336933,-0.06749853299336933,dB,hcp,2.891636 +16,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,39.0,1.0,0.011261784986929006,0.011261784986929006,dB,hcp,2.8939150000000002 +17,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,41.0,1.0,0.07205134151496137,0.07205134151496137,dB,hcp,2.895674 +18,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,43.0,1.0,0.07205134151496137,0.07205134151496137,dB,hcp,2.895674 +19,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,45.0,1.0,0.005430287669714266,-0.005430287669714266,dB,hcp,2.893432 +20,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,47.0,1.0,0.005430287669714266,-0.005430287669714266,dB,hcp,2.893432 +21,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,49.0,1.0,0.022778984302498462,-0.022778984302498462,dB,hcp,2.89293 +22,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,51.0,1.0,0.032273752223454084,0.032273752223454084,dB,hcp,2.894523 +23,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,53.0,1.0,0.022778984302498462,-0.022778984302498462,dB,hcp,2.89293 +24,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,55.0,1.0,0.022778984302498462,-0.022778984302498462,dB,hcp,2.89293 +25,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,57.0,1.0,0.0075293960699157935,0.0075293960699157935,dB,hcp,2.893807 +26,Tetra,allKp,DMol3,Y,PBE,2.89358913021375,0.00030386789678799904,59.0,1.0,0.0075293960699157935,0.0075293960699157935,dB,hcp,2.893807 +0,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,7.0,1.0,5.428461517247043,5.428461517247043,B,hcp,69.838724 +1,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,9.0,1.0,0.13011806597027314,0.13011806597027314,B,hcp,66.32895500000001 +2,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,11.0,1.0,2.9560585401908033,2.9560585401908033,B,hcp,68.200936 +3,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,13.0,1.0,0.5272573084070491,0.5272573084070491,B,hcp,66.592031 +4,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,15.0,1.0,0.5173790978378476,-0.5173790978378476,B,hcp,65.900035 +5,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,17.0,1.0,0.12459444356427105,0.12459444356427105,B,hcp,66.325296 +6,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,19.0,1.0,0.2481339798353656,0.2481339798353656,B,hcp,66.40713199999999 +7,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,21.0,1.0,0.1777857657907952,-0.1777857657907952,B,hcp,66.12499100000001 +8,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,23.0,1.0,0.2015287374227556,-0.2015287374227556,B,hcp,66.109263 +9,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,25.0,1.0,0.1094305225290042,0.1094305225290042,B,hcp,66.315251 +10,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,27.0,1.0,0.02676790550065435,0.02676790550065435,B,hcp,66.26049300000001 +11,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,29.0,1.0,0.0968199379355385,-0.0968199379355385,B,hcp,66.178625 +12,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,31.0,1.0,0.10893990288375564,0.10893990288375564,B,hcp,66.314926 +13,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,33.0,1.0,0.02437066243403287,0.02437066243403287,B,hcp,66.258905 +14,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,35.0,1.0,0.07570668760209165,-0.07570668760209165,B,hcp,66.192611 +15,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,37.0,1.0,0.05155551957723503,0.05155551957723503,B,hcp,66.27691300000001 +16,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,39.0,1.0,0.014023871515578415,0.014023871515578415,B,hcp,66.252051 +17,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,41.0,1.0,0.047492284003336944,-0.047492284003336944,B,hcp,66.211301 +18,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,43.0,1.0,0.02088711284099244,-0.02088711284099244,B,hcp,66.228925 +19,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,45.0,1.0,0.0216579131955717,0.0216579131955717,B,hcp,66.257108 +20,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,47.0,1.0,0.016827801376191494,-0.016827801376191494,B,hcp,66.23161400000001 +21,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,49.0,1.0,0.034411609461713615,-0.034411609461713615,B,hcp,66.219966 +22,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,51.0,1.0,0.020931796120621814,0.020931796120621814,B,hcp,66.25662700000001 +23,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,53.0,1.0,0.0158269372999127,-0.0158269372999127,B,hcp,66.232277 +24,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,55.0,1.0,0.031232394160542267,-0.031232394160542267,B,hcp,66.222072 +25,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,57.0,1.0,0.013638923793932728,0.013638923793932728,B,hcp,66.251796 +26,Tetra,allKp,DMol3,Zn,PBE,66.2427612002809,0.00644028232707584,59.0,1.0,0.0010866088702595029,0.0010866088702595029,B,hcp,66.243481 +0,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,7.0,1.0,2.009339026048308,2.009339026048308,E0,hcp,-1.022424 +1,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,9.0,1.0,1.2116020823156513,-1.2116020823156513,E0,hcp,-0.9901409999999999 +2,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,11.0,1.0,0.21703390971306816,0.21703390971306816,E0,hcp,-1.0044600000000001 +3,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,13.0,1.0,0.4084964747457622,0.4084964747457622,E0,hcp,-1.0063790000000001 +4,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,15.0,1.0,0.12688034858171585,-0.12688034858171585,E0,hcp,-1.001013 +5,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,17.0,1.0,0.009009184286728669,0.009009184286728669,E0,hcp,-1.002375 +6,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,19.0,1.0,0.12215068962652464,0.12215068962652464,E0,hcp,-1.003509 +7,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,21.0,1.0,0.010546137623840223,-0.010546137623840223,E0,hcp,-1.0021790000000002 +8,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,23.0,1.0,0.0033221774045720715,0.0033221774045720715,E0,hcp,-1.002318 +9,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,25.0,1.0,0.043430541731380515,0.043430541731380515,E0,hcp,-1.00272 +10,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,27.0,1.0,0.00272354510119183,0.00272354510119183,E0,hcp,-1.002312 +11,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,29.0,1.0,0.007512603528255909,0.007512603528255909,E0,hcp,-1.0023600000000001 +12,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,31.0,1.0,0.0168911762813164,0.0168911762813164,E0,hcp,-1.0024540000000002 +13,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,33.0,1.0,0.0009276481910289539,0.0009276481910289539,E0,hcp,-1.002294 +14,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,35.0,1.0,0.005517162516981056,0.005517162516981056,E0,hcp,-1.00234 +15,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,37.0,1.0,0.006415110972051418,0.006415110972051418,E0,hcp,-1.002349 +16,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,39.0,1.0,0.0006283320393388338,0.0006283320393388338,E0,hcp,-1.002291 +17,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,41.0,1.0,0.0037212656068181813,0.0037212656068181813,E0,hcp,-1.002322 +18,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,43.0,1.0,0.0003290158876265596,0.0003290158876265596,E0,hcp,-1.0022879999999998 +19,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,45.0,1.0,0.0013267363932750636,0.0013267363932750636,E0,hcp,-1.002298 +20,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,47.0,1.0,0.003022861252881951,0.003022861252881951,E0,hcp,-1.002315 +21,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,49.0,1.0,0.0010677928202458998,-0.0010677928202458998,E0,hcp,-1.0022739999999999 +22,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,51.0,1.0,0.001426508443853206,0.001426508443853206,E0,hcp,-1.002299 +23,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,53.0,1.0,0.002124912797789436,0.002124912797789436,E0,hcp,-1.002306 +24,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,55.0,1.0,0.001267336921402185,-0.001267336921402185,E0,hcp,-1.0022719999999998 +25,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,57.0,1.0,0.001027420241607097,0.001027420241607097,E0,hcp,-1.0022950000000002 +26,Tetra,allKp,DMol3,Zn,PBE,-1.00228470232409,7.260600607820919e-06,59.0,1.0,0.0017258245955433266,0.0017258245955433266,E0,hcp,-1.002302 +0,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,7.0,1.0,0.26859980434397257,-0.26859980434397257,v0,hcp,15.3979 +1,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,9.0,1.0,0.3395856286288397,0.3395856286288397,v0,hcp,15.4918 +2,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,11.0,1.0,0.15913938030520394,-0.15913938030520394,v0,hcp,15.4148 +3,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,13.0,1.0,0.11962999648055896,-0.11962999648055896,v0,hcp,15.4209 +4,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,15.0,1.0,0.12260786500169014,0.12260786500169014,v0,hcp,15.4583 +5,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,17.0,1.0,0.06328054741917323,-0.06328054741917323,v0,hcp,15.4296 +6,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,19.0,1.0,0.020532689510548475,-0.020532689510548475,v0,hcp,15.4362 +7,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,21.0,1.0,0.024805947665271583,0.024805947665271583,v0,hcp,15.4432 +8,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,23.0,1.0,0.008874182808198362,-0.008874182808198362,v0,hcp,15.438 +9,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,25.0,1.0,0.0043403190906037,-0.0043403190906037,v0,hcp,15.4387 +10,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,27.0,1.0,0.017033609863708676,0.017033609863708676,v0,hcp,15.442 +11,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,29.0,1.0,0.00239723464021585,-0.00239723464021585,v0,hcp,15.439 +12,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,31.0,1.0,0.008874182808198362,-0.008874182808198362,v0,hcp,15.438 +13,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,33.0,1.0,0.0008412394437754052,0.0008412394437754052,v0,hcp,15.4395 +14,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,35.0,1.0,0.0011018450066239505,-0.0011018450066239505,v0,hcp,15.4392 +15,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,37.0,1.0,0.008874182808198362,-0.008874182808198362,v0,hcp,15.438 +16,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,39.0,1.0,0.0014889342605713554,0.0014889342605713554,v0,hcp,15.4396 +17,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,41.0,1.0,0.0008412394437754052,0.0008412394437754052,v0,hcp,15.4395 +18,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,43.0,1.0,0.007578793174594956,-0.007578793174594956,v0,hcp,15.4382 +19,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,45.0,1.0,0.00045415018982800017,-0.00045415018982800017,v0,hcp,15.4393 +20,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,47.0,1.0,0.002784323894163256,0.002784323894163256,v0,hcp,15.4398 +21,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,49.0,1.0,0.0030449294570118004,-0.0030449294570118004,v0,hcp,15.4389 +22,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,51.0,1.0,0.00045415018982800017,-0.00045415018982800017,v0,hcp,15.4393 +23,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,53.0,1.0,0.0014889342605713554,0.0014889342605713554,v0,hcp,15.4396 +24,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,55.0,1.0,0.0017495398234199002,-0.0017495398234199002,v0,hcp,15.4391 +25,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,57.0,1.0,0.00239723464021585,-0.00239723464021585,v0,hcp,15.439 +26,Tetra,allKp,DMol3,Zn,PBE,15.439370117928698,0.000150731879542103,59.0,1.0,0.0008412394437754052,0.0008412394437754052,v0,hcp,15.4395 +0,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,7.0,1.0,8.522154982311147,-8.522154982311147,dB,hcp,4.718019 +1,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,9.0,1.0,1.2792746741340586,1.2792746741340586,dB,hcp,5.223533 +2,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,11.0,1.0,1.079324122314559,-1.079324122314559,dB,hcp,5.1018870000000005 +3,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,13.0,1.0,3.1832199416715694,3.1832199416715694,dB,hcp,5.3217300000000005 +4,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,15.0,1.0,0.1421852094864303,0.1421852094864303,dB,hcp,5.164887 +5,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,17.0,1.0,1.6849708845880895,1.6849708845880895,dB,hcp,5.244457 +6,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,19.0,1.0,0.18265012973195527,0.18265012973195527,dB,hcp,5.166974 +7,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,21.0,1.0,1.0885834951140176,1.0885834951140176,dB,hcp,5.213698 +8,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,23.0,1.0,1.0943808171808205,1.0943808171808205,dB,hcp,5.213997 +9,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,25.0,1.0,0.2586831307514315,-0.2586831307514315,dB,hcp,5.1442120000000005 +10,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,27.0,1.0,0.3094048515767039,-0.3094048515767039,dB,hcp,5.141596 +11,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,29.0,1.0,0.4190606580279776,0.4190606580279776,dB,hcp,5.179167 +12,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,31.0,1.0,0.20938761177248846,0.20938761177248846,dB,hcp,5.168353 +13,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,33.0,1.0,0.221195535313246,0.221195535313246,dB,hcp,5.1689620000000005 +14,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,35.0,1.0,0.20989172673482065,0.20989172673482065,dB,hcp,5.168379 +15,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,37.0,1.0,0.2582092069705076,0.2582092069705076,dB,hcp,5.170871 +16,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,39.0,1.0,0.00041257084945141726,0.00041257084945141726,dB,hcp,5.157575 +17,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,41.0,1.0,0.017823926086891567,0.017823926086891567,dB,hcp,5.158473000000001 +18,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,43.0,1.0,0.2625717402983753,0.2625717402983753,dB,hcp,5.1710959999999995 +19,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,45.0,1.0,0.058482736702536335,0.058482736702536335,dB,hcp,5.16057 +20,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,47.0,1.0,0.1365128085343258,-0.1365128085343258,dB,hcp,5.150513 +21,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,49.0,1.0,0.15189911702979747,0.15189911702979747,dB,hcp,5.165388 +22,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,51.0,1.0,0.03814363687619763,0.03814363687619763,dB,hcp,5.159521 +23,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,53.0,1.0,0.05616463915363525,-0.05616463915363525,dB,hcp,5.154657 +24,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,55.0,1.0,0.11903469929325115,0.11903469929325115,dB,hcp,5.163693 +25,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,57.0,1.0,0.11306287589332704,0.11306287589332704,dB,hcp,5.163385 +26,Tetra,allKp,DMol3,Zn,PBE,5.1575537214368,0.00218035003646753,59.0,1.0,0.033867246589014216,-0.033867246589014216,dB,hcp,5.155807 +0,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,7.0,1.0,0.2280523961419949,-0.2280523961419949,B,hcp,90.2029 +1,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,9.0,1.0,0.2778670828564388,-0.2778670828564388,B,hcp,90.157863 +2,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,11.0,1.0,0.2514127191405588,0.2514127191405588,B,hcp,90.63638 +3,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,13.0,1.0,0.07326484616766385,-0.07326484616766385,B,hcp,90.342842 +4,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,15.0,1.0,0.09287792041375294,-0.09287792041375294,B,hcp,90.32511 +5,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,17.0,1.0,0.07600887710258426,0.07600887710258426,B,hcp,90.477799 +6,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,19.0,1.0,0.0038004219927878185,0.0038004219927878185,B,hcp,90.412516 +7,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,21.0,1.0,0.014014160333357902,-0.014014160333357902,B,hcp,90.39641 +8,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,23.0,1.0,0.03919636546309554,-0.03919636546309554,B,hcp,90.373643 +9,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,25.0,1.0,0.025757287369449298,0.025757287369449298,B,hcp,90.432367 +10,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,27.0,1.0,0.0007044940199310777,0.0007044940199310777,B,hcp,90.409717 +11,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,29.0,1.0,0.02040732349275127,-0.02040732349275127,B,hcp,90.39063 +12,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,31.0,1.0,0.011368245926455096,0.011368245926455096,B,hcp,90.419358 +13,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,33.0,1.0,0.004496148571902019,0.004496148571902019,B,hcp,90.413145 +14,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,35.0,1.0,0.011789826230674306,-0.011789826230674306,B,hcp,90.398421 +15,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,37.0,1.0,0.0011137449488236326,0.0011137449488236326,B,hcp,90.410087 +16,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,39.0,1.0,0.003018583349361505,-0.003018583349361505,B,hcp,90.406351 +17,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,41.0,1.0,0.0011902271724577359,-0.0011902271724577359,B,hcp,90.408004 +18,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,43.0,1.0,0.0006681557172406054,-0.0006681557172406054,B,hcp,90.40847600000001 +19,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,45.0,1.0,0.004428839928646618,-0.004428839928646618,B,hcp,90.405076 +20,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,47.0,1.0,0.0003472290198534794,0.0003472290198534794,B,hcp,90.40939399999999 +21,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,49.0,1.0,0.0003472290198534794,0.0003472290198534794,B,hcp,90.40939399999999 +22,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,51.0,1.0,0.0006681557172406054,-0.0006681557172406054,B,hcp,90.40847600000001 +23,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,53.0,1.0,0.0006681557172406054,-0.0006681557172406054,B,hcp,90.40847600000001 +24,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,55.0,1.0,0.0003472290198534794,0.0003472290198534794,B,hcp,90.40939399999999 +25,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,57.0,1.0,0.0005254709339241818,-0.0005254709339241818,B,hcp,90.40860500000001 +26,Tetra,allKp,DMol3,Zr,PBE,90.40908007343741,0.0005381963495995362,59.0,1.0,0.0006681557172406054,-0.0006681557172406054,B,hcp,90.40847600000001 +0,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,7.0,1.0,0.06680453003034739,-0.06680453003034739,E0,hcp,-7.164664999999999 +1,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,9.0,1.0,0.0015270283338688904,0.0015270283338688904,E0,hcp,-7.169564 +2,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,11.0,1.0,0.008584747977114181,0.008584747977114181,E0,hcp,-7.17007 +3,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,13.0,1.0,0.0037034951171563907,-0.0037034951171563907,E0,hcp,-7.169189 +4,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,15.0,1.0,0.002782922989758796,-0.002782922989758796,E0,hcp,-7.1692550000000015 +5,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,17.0,1.0,0.002015210522649915,0.002015210522649915,E0,hcp,-7.1695990000000025 +6,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,19.0,1.0,0.0004111833309762292,0.0004111833309762292,E0,hcp,-7.169484 +7,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,21.0,1.0,0.00020253142060977912,-0.00020253142060977912,E0,hcp,-7.16944 +8,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,23.0,1.0,9.037789265140268e-05,9.037789265140268e-05,E0,hcp,-7.169461 +9,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,25.0,1.0,0.00036933914334979123,0.00036933914334979123,E0,hcp,-7.1694809999999976 +10,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,27.0,1.0,0.0001880143303803532,0.0001880143303803532,E0,hcp,-7.1694679999999975 +11,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,29.0,1.0,0.00011884304536929164,-0.00011884304536929164,E0,hcp,-7.1694460000000015 +12,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,31.0,1.0,0.00017406626786711346,0.00017406626786711346,E0,hcp,-7.169467 +13,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,33.0,1.0,0.00017406626786711346,0.00017406626786711346,E0,hcp,-7.169467 +14,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,35.0,1.0,3.515467015358089e-05,-3.515467015358089e-05,E0,hcp,-7.1694520000000015 +15,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,37.0,1.0,6.248176757536965e-05,6.248176757536965e-05,E0,hcp,-7.169459 +16,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,39.0,1.0,2.063757994893172e-05,2.063757994893172e-05,E0,hcp,-7.169455999999999 +17,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,41.0,1.0,4.85337050497415e-05,4.85337050497415e-05,E0,hcp,-7.1694580000000006 +18,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,43.0,1.0,6.689517435691935e-06,6.689517435691935e-06,E0,hcp,-7.169455 +19,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,45.0,1.0,6.689517435691935e-06,6.689517435691935e-06,E0,hcp,-7.169455 +20,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,47.0,1.0,3.458564251172497e-05,3.458564251172497e-05,E0,hcp,-7.169457 +21,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,49.0,1.0,3.458564251172497e-05,3.458564251172497e-05,E0,hcp,-7.169457 +22,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,51.0,1.0,6.689517435691935e-06,6.689517435691935e-06,E0,hcp,-7.169455 +23,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,53.0,1.0,6.689517435691935e-06,6.689517435691935e-06,E0,hcp,-7.169455 +24,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,55.0,1.0,3.458564251172497e-05,3.458564251172497e-05,E0,hcp,-7.169457 +25,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,57.0,1.0,6.689517435691935e-06,6.689517435691935e-06,E0,hcp,-7.169455 +26,Tetra,allKp,DMol3,Zr,PBE,-7.16945452039809,5.48754711964159e-07,59.0,1.0,6.689517435691935e-06,6.689517435691935e-06,E0,hcp,-7.169455 +0,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,7.0,1.0,0.1140133192456726,0.1140133192456726,v0,hcp,23.8144 +1,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,9.0,1.0,0.054737940155656695,0.054737940155656695,v0,hcp,23.8003 +2,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,11.0,1.0,0.02471629139053392,-0.02471629139053392,v0,hcp,23.7814 +3,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,13.0,1.0,0.010422937567412052,-0.010422937567412052,v0,hcp,23.7848 +4,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,15.0,1.0,0.002855867896348412,-0.002855867896348412,v0,hcp,23.7866 +5,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,17.0,1.0,0.007233558331746395,0.007233558331746395,v0,hcp,23.789 +6,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,19.0,1.0,0.003276260655851118,-0.003276260655851118,v0,hcp,23.7865 +7,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,21.0,1.0,0.0041170461748565295,-0.0041170461748565295,v0,hcp,23.7863 +8,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,23.0,1.0,0.004711201774715228,0.004711201774715228,v0,hcp,23.7884 +9,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,25.0,1.0,0.0015946896178402948,-0.0015946896178402948,v0,hcp,23.7869 +10,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,27.0,1.0,0.0024354751368457057,-0.0024354751368457057,v0,hcp,23.7867 +11,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,29.0,1.0,0.0009276669391908752,0.0009276669391908752,v0,hcp,23.7875 +12,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,31.0,1.0,0.0005072741796881691,0.0005072741796881691,v0,hcp,23.7874 +13,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,33.0,1.0,0.00033351133933217763,-0.00033351133933217763,v0,hcp,23.7872 +14,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,35.0,1.0,0.0007539040988348832,-0.0007539040988348832,v0,hcp,23.7871 +15,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,37.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +16,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,39.0,1.0,0.00033351133933217763,-0.00033351133933217763,v0,hcp,23.7872 +17,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,41.0,1.0,0.00033351133933217763,-0.00033351133933217763,v0,hcp,23.7872 +18,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,43.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +19,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,45.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +20,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,47.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +21,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,49.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +22,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,51.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +23,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,53.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +24,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,55.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +25,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,57.0,1.0,0.00033351133933217763,-0.00033351133933217763,v0,hcp,23.7872 +26,Tetra,allKp,DMol3,Zr,PBE,23.787279333273894,2.4550749869959e-05,59.0,1.0,8.688142017052816e-05,8.688142017052816e-05,v0,hcp,23.7873 +0,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,7.0,1.0,3.4116597872970638,-3.4116597872970638,dB,hcp,2.828058 +1,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,9.0,1.0,3.7817822681249176,-3.7817822681249176,dB,hcp,2.817221 +2,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,11.0,1.0,1.4012644535686094,1.4012644535686094,dB,hcp,2.968978 +3,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,13.0,1.0,0.09199891330002624,-0.09199891330002624,dB,hcp,2.925256 +4,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,15.0,1.0,0.8411796918175778,0.8411796918175778,dB,hcp,2.952579 +5,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,17.0,1.0,0.5808051277143674,-0.5808051277143674,dB,hcp,2.9109439999999998 +6,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,19.0,1.0,0.10189103074903784,0.10189103074903784,dB,hcp,2.930933 +7,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,21.0,1.0,0.3721484074022403,0.3721484074022403,dB,hcp,2.938846 +8,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,23.0,1.0,0.4961725257496708,-0.4961725257496708,dB,hcp,2.913422 +9,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,25.0,1.0,0.1228613364820216,0.1228613364820216,dB,hcp,2.931547 +10,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,27.0,1.0,0.15544386363064708,0.15544386363064708,dB,hcp,2.932501 +11,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,29.0,1.0,0.08964231542450021,-0.08964231542450021,dB,hcp,2.925325 +12,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,31.0,1.0,0.034313495738137904,-0.034313495738137904,dB,hcp,2.926945 +13,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,33.0,1.0,0.053461236727280315,0.053461236727280315,dB,hcp,2.9295150000000003 +14,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,35.0,1.0,0.09574338411722484,0.09574338411722484,dB,hcp,2.9307529999999997 +15,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,37.0,1.0,0.028814767361890276,-0.028814767361890276,dB,hcp,2.927106 +16,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,39.0,1.0,0.059643036951481876,0.059643036951481876,dB,hcp,2.929696 +17,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,41.0,1.0,0.008002805244210398,0.008002805244210398,dB,hcp,2.928184 +18,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,43.0,1.0,0.005931860454568718,-0.005931860454568718,dB,hcp,2.9277759999999997 +19,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,45.0,1.0,0.04199805402790792,-0.04199805402790792,dB,hcp,2.92672 +20,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,47.0,1.0,0.010461863896947723,0.010461863896947723,dB,hcp,2.928256 +21,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,49.0,1.0,0.010461863896947723,0.010461863896947723,dB,hcp,2.928256 +22,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,51.0,1.0,0.005931860454568718,-0.005931860454568718,dB,hcp,2.9277759999999997 +23,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,53.0,1.0,0.005931860454568718,-0.005931860454568718,dB,hcp,2.9277759999999997 +24,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,55.0,1.0,0.010461863896947723,0.010461863896947723,dB,hcp,2.928256 +25,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,57.0,1.0,0.014150451876038543,0.014150451876038543,dB,hcp,2.9283639999999997 +26,Tetra,allKp,DMol3,Zr,PBE,2.92794968188931,0.00020990794992642,59.0,1.0,0.005931860454568718,-0.005931860454568718,dB,hcp,2.9277759999999997 +0,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,7.0,1.0,0.3114192933516489,0.3114192933516489,B,fcc,125.809501 +1,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,9.0,1.0,0.3907151429676676,0.3907151429676676,B,fcc,125.908953 +2,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,11.0,1.0,0.29541692334609143,0.29541692334609143,B,fcc,125.789431 +3,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,13.0,1.0,0.07639415149513491,0.07639415149513491,B,fcc,125.51473500000002 +4,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,15.0,1.0,0.02449572835810513,-0.02449572835810513,B,fcc,125.3882 +5,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,17.0,1.0,0.33745966782518755,-0.33745966782518755,B,fcc,124.995684 +6,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,19.0,1.0,0.34003982075683953,-0.34003982075683953,B,fcc,124.992448 +7,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,21.0,1.0,0.14358940041844812,-0.14358940041844812,B,fcc,125.238834 +8,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,23.0,1.0,0.006257651053305338,-0.006257651053305338,B,fcc,125.411074 +9,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,25.0,1.0,0.00939912279330044,-0.00939912279330044,B,fcc,125.407134 +10,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,27.0,1.0,0.0478378544473248,0.0478378544473248,B,fcc,125.47892 +11,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,29.0,1.0,0.03807298023416112,0.03807298023416112,B,fcc,125.466673 +12,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,31.0,1.0,0.02521048731288591,0.02521048731288591,B,fcc,125.450541 +13,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,33.0,1.0,0.04424110850337834,0.04424110850337834,B,fcc,125.474409 +14,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,35.0,1.0,0.07804780946182324,0.07804780946182324,B,fcc,125.516809 +15,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,37.0,1.0,0.06416154757756255,0.06416154757756255,B,fcc,125.499393 +16,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,39.0,1.0,0.046590036357703465,0.046590036357703465,B,fcc,125.477355 +17,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,41.0,1.0,0.051531077061464974,0.051531077061464974,B,fcc,125.483552 +18,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,43.0,1.0,0.06682541993375045,0.06682541993375045,B,fcc,125.502734 +19,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,45.0,1.0,0.06501229639649811,0.06501229639649811,B,fcc,125.50046 +20,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,47.0,1.0,0.046943252596483014,0.046943252596483014,B,fcc,125.477798 +21,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,49.0,1.0,0.03729159893841342,0.03729159893841342,B,fcc,125.465693 +22,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,51.0,1.0,0.029221843740303288,0.029221843740303288,B,fcc,125.455572 +23,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,53.0,1.0,0.028831950420285888,0.028831950420285888,B,fcc,125.455083 +24,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,55.0,1.0,0.01597982276109348,0.01597982276109348,B,fcc,125.43896399999998 +25,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,57.0,1.0,0.012336831801688444,0.012336831801688444,B,fcc,125.434395 +26,Tetra,allKp,DMol3,Ag,LDA,125.418922278511,0.00665566717778003,59.0,1.0,0.010432812889231865,0.010432812889231865,B,fcc,125.432007 +0,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,7.0,1.0,0.06632565007688736,-0.06632565007688736,E0,fcc,16.838044 +1,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,9.0,1.0,0.030448617005509517,-0.030448617005509517,E0,fcc,16.844089 +2,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,11.0,1.0,0.010198420671420868,-0.010198420671420868,E0,fcc,16.847501 +3,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,13.0,1.0,0.003023014057149515,-0.003023014057149515,E0,fcc,16.84871 +4,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,15.0,1.0,0.0007219665661729426,0.0007219665661729426,E0,fcc,16.849341 +5,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,17.0,1.0,0.0031612487154410013,0.0031612487154410013,E0,fcc,16.849752 +6,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,19.0,1.0,0.003428323403317681,0.003428323403317681,E0,fcc,16.849797 +7,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,21.0,1.0,0.0020157950541083926,0.0020157950541083926,E0,fcc,16.849559 +8,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,23.0,1.0,0.001167091045981467,0.001167091045981467,E0,fcc,16.849416 +9,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,25.0,1.0,0.0006922916008439402,0.0006922916008439402,E0,fcc,16.849335999999994 +10,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,27.0,1.0,9.28573014047277e-05,9.28573014047277e-05,E0,fcc,16.849235 +11,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,29.0,1.0,0.00010299746971608346,-0.00010299746971608346,E0,fcc,16.849202 +12,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,31.0,1.0,0.00022169733098992246,-0.00022169733098992246,E0,fcc,16.849182 +13,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,33.0,1.0,0.0004769020327265677,-0.0004769020327265677,E0,fcc,16.849139 +14,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,35.0,1.0,0.0006074718801404418,-0.0006074718801404418,E0,fcc,16.849117 +15,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,37.0,1.0,0.0005481219495035223,-0.0005481219495035223,E0,fcc,16.849127 +16,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,39.0,1.0,0.0005362519633634872,-0.0005362519633634872,E0,fcc,16.849129 +17,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,41.0,1.0,0.0005065769980555702,-0.0005065769980555702,E0,fcc,16.849134 +18,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,43.0,1.0,0.0005065769980555702,-0.0005065769980555702,E0,fcc,16.849134 +19,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,45.0,1.0,0.0004472270674186507,-0.0004472270674186507,E0,fcc,16.849144 +20,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,47.0,1.0,0.0003582021714527287,-0.0003582021714527287,E0,fcc,16.849159 +21,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,49.0,1.0,0.00028104726162684197,-0.00028104726162684197,E0,fcc,16.849172 +22,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,51.0,1.0,0.00020389235177986983,-0.00020389235177986983,E0,fcc,16.849185000000002 +23,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,53.0,1.0,0.0001623474003319176,-0.0001623474003319176,E0,fcc,16.849192000000002 +24,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,55.0,1.0,0.00011486745583503321,-0.00011486745583503321,E0,fcc,16.8492 +25,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,57.0,1.0,0.00010299746971608346,-0.00010299746971608346,E0,fcc,16.849202 +26,Tetra,allKp,DMol3,Ag,LDA,16.8492193542696,7.0134926126045195e-06,59.0,1.0,9.112748357604837e-05,-9.112748357604837e-05,E0,fcc,16.849204 +0,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,7.0,1.0,0.15165971295116326,-0.15165971295116326,v0,fcc,16.3306 +1,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,9.0,1.0,0.013479089429224943,-0.013479089429224943,v0,fcc,16.3532 +2,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,11.0,1.0,0.015313345493671127,-0.015313345493671127,v0,fcc,16.3529 +3,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,13.0,1.0,0.009754820720470151,0.009754820720470151,v0,fcc,16.357 +4,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,15.0,1.0,0.006086308591577786,0.006086308591577786,v0,fcc,16.3564 +5,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,17.0,1.0,0.01586900760197915,0.01586900760197915,v0,fcc,16.358 +6,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,19.0,1.0,0.007309145967875244,0.007309145967875244,v0,fcc,16.3566 +7,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,21.0,1.0,0.006697727279726514,0.006697727279726514,v0,fcc,16.3565 +8,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,23.0,1.0,0.0006392969780799401,-0.0006392969780799401,v0,fcc,16.3553 +9,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,25.0,1.0,0.0011949590863662431,0.0011949590863662431,v0,fcc,16.3556 +10,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,27.0,1.0,0.0030292151508124264,0.0030292151508124264,v0,fcc,16.3559 +11,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,29.0,1.0,0.004863471215280332,0.004863471215280332,v0,fcc,16.3562 +12,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,31.0,1.0,0.0036406338389828757,0.0036406338389828757,v0,fcc,16.355999999999998 +13,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,33.0,1.0,0.0005835403982175153,0.0005835403982175153,v0,fcc,16.3555 +14,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,35.0,1.0,0.0011949590863662431,0.0011949590863662431,v0,fcc,16.3556 +15,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,37.0,1.0,0.0030292151508124264,0.0030292151508124264,v0,fcc,16.3559 +16,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,39.0,1.0,0.0030292151508124264,0.0030292151508124264,v0,fcc,16.3559 +17,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,41.0,1.0,0.0005835403982175153,0.0005835403982175153,v0,fcc,16.3555 +18,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,43.0,1.0,2.787828993121233e-05,-2.787828993121233e-05,v0,fcc,16.3554 +19,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,45.0,1.0,0.0005835403982175153,0.0005835403982175153,v0,fcc,16.3555 +20,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,47.0,1.0,0.0005835403982175153,0.0005835403982175153,v0,fcc,16.3555 +21,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,49.0,1.0,0.0006392969780799401,-0.0006392969780799401,v0,fcc,16.3553 +22,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,51.0,1.0,0.0006392969780799401,-0.0006392969780799401,v0,fcc,16.3553 +23,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,53.0,1.0,0.0006392969780799401,-0.0006392969780799401,v0,fcc,16.3553 +24,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,55.0,1.0,2.787828993121233e-05,-2.787828993121233e-05,v0,fcc,16.3554 +25,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,57.0,1.0,0.0005835403982175153,0.0005835403982175153,v0,fcc,16.3555 +26,Tetra,allKp,DMol3,Ag,LDA,16.355404559607102,4.86773802666388e-05,59.0,1.0,0.0005835403982175153,0.0005835403982175153,v0,fcc,16.3555 +0,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,7.0,1.0,0.2961234515746488,-0.2961234515746488,dB,fcc,5.708574 +1,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,9.0,1.0,0.09739944320268926,-0.09739944320268926,dB,fcc,5.719951999999998 +2,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,11.0,1.0,0.2454381754017214,-0.2454381754017214,dB,fcc,5.711476 +3,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,13.0,1.0,0.6752849472458479,-0.6752849472458479,dB,fcc,5.686865 +4,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,15.0,1.0,0.1420066779875207,-0.1420066779875207,dB,fcc,5.717398 +5,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,17.0,1.0,0.35919186379395074,-0.35919186379395074,dB,fcc,5.7049629999999985 +6,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,19.0,1.0,0.10043381772448222,0.10043381772448222,dB,fcc,5.731279 +7,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,21.0,1.0,0.2356527729728411,0.2356527729728411,dB,fcc,5.739021 +8,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,23.0,1.0,0.3636933517542463,0.3636933517542463,dB,fcc,5.746352 +9,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,25.0,1.0,0.16689056336126334,0.16689056336126334,dB,fcc,5.735084 +10,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,27.0,1.0,0.027462389795321902,0.027462389795321902,dB,fcc,5.727101 +11,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,29.0,1.0,0.15019806135247218,-0.15019806135247218,dB,fcc,5.716929 +12,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,31.0,1.0,0.15253845659961893,-0.15253845659961893,dB,fcc,5.7167949999999985 +13,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,33.0,1.0,0.00011584972123820857,-0.00011584972123820857,dB,fcc,5.725522 +14,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,35.0,1.0,0.014297946293394884,-0.014297946293394884,dB,fcc,5.72471 +15,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,37.0,1.0,0.1427751659791144,-0.1427751659791144,dB,fcc,5.717354 +16,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,39.0,1.0,0.2042716709428788,-0.2042716709428788,dB,fcc,5.713833 +17,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,41.0,1.0,0.06405754374916862,-0.06405754374916862,dB,fcc,5.721861 +18,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,43.0,1.0,0.02748450160371321,-0.02748450160371321,dB,fcc,5.723955 +19,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,45.0,1.0,0.07462425363360144,-0.07462425363360144,dB,fcc,5.721256 +20,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,47.0,1.0,0.0802656541173366,-0.0802656541173366,dB,fcc,5.7209330000000005 +21,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,49.0,1.0,0.04702854848086627,-0.04702854848086627,dB,fcc,5.722836 +22,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,51.0,1.0,0.0007271469872719557,-0.0007271469872719557,dB,fcc,5.725487 +23,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,53.0,1.0,0.002980214053543422,-0.002980214053543422,dB,fcc,5.725358 +24,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,55.0,1.0,0.02758464924853176,0.02758464924853176,dB,fcc,5.727108 +25,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,57.0,1.0,0.014786984106234297,-0.014786984106234297,dB,fcc,5.724682 +26,Tetra,allKp,DMol3,Ag,LDA,5.7255286330089605,0.0009116996865112301,59.0,1.0,0.04290665834412795,-0.04290665834412795,dB,fcc,5.723072 +0,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,7.0,1.0,4.86061279349756,4.86061279349756,B,fcc,87.851874 +1,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,10.0,1.0,1.9015583613999565,1.9015583613999565,B,fcc,85.372788 +2,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,12.0,1.0,0.9798113519510454,-0.9798113519510454,B,fcc,82.958786 +3,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,15.0,1.0,0.5504315208270973,-0.5504315208270973,B,fcc,83.318519 +4,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,17.0,1.0,0.10635600017563357,-0.10635600017563357,B,fcc,83.690564 +5,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,20.0,1.0,0.156349741447731,0.156349741447731,B,fcc,83.910658 +6,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,22.0,1.0,0.17527964345668273,-0.17527964345668273,B,fcc,83.63282 +7,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,25.0,1.0,0.14786558280887915,0.14786558280887915,B,fcc,83.90355 +8,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,27.0,1.0,0.1003433132468258,0.1003433132468258,B,fcc,83.863736 +9,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,30.0,1.0,0.051774250335530216,0.051774250335530216,B,fcc,83.823045 +10,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,33.0,1.0,0.0218044602909613,-0.0218044602909613,B,fcc,83.761401 +11,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,35.0,1.0,0.06155157377911119,-0.06155157377911119,B,fcc,83.728101 +12,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,37.0,1.0,0.025554773521596897,-0.025554773521596897,B,fcc,83.758259 +13,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,40.0,1.0,0.007205452931416914,-0.007205452931416914,B,fcc,83.77363199999998 +14,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,42.0,1.0,0.014282348903517587,-0.014282348903517587,B,fcc,83.767703 +15,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,45.0,1.0,0.02709165094151644,0.02709165094151644,B,fcc,83.802366 +16,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,47.0,1.0,0.011779355000068038,-0.011779355000068038,B,fcc,83.7698 +17,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,49.0,1.0,0.04553814211072983,-0.04553814211072983,B,fcc,83.741517 +18,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,51.0,1.0,0.012576684483859516,-0.012576684483859516,B,fcc,83.769132 +19,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,53.0,1.0,0.020349453343762647,-0.020349453343762647,B,fcc,83.76262 +20,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,55.0,1.0,0.01544562732878225,0.01544562732878225,B,fcc,83.792609 +21,Tetra,allKp,DMol3,Al,LDA,83.7796687045946,0.00878237583840272,57.0,1.0,0.003960035466709125,-0.003960035466709125,B,fcc,83.776351 +0,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,7.0,1.0,0.10508574421233936,-0.10508574421233936,E0,fcc,20.628064 +1,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,10.0,1.0,0.0012108703373621894,0.0012108703373621894,E0,fcc,20.650014 +2,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,12.0,1.0,0.010862312378247124,0.010862312378247124,E0,fcc,20.652007 +3,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,15.0,1.0,0.018707438372343455,0.018707438372343455,E0,fcc,20.653627 +4,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,17.0,1.0,0.0049005796654695314,-0.0049005796654695314,E0,fcc,20.648752 +5,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,20.0,1.0,0.002256887136567005,0.002256887136567005,E0,fcc,20.65023 +6,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,22.0,1.0,0.0012399263595580222,0.0012399263595580222,E0,fcc,20.65002 +7,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,25.0,1.0,0.002615244743712024,0.002615244743712024,E0,fcc,20.650304 +8,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,27.0,1.0,0.0016947318826855964,-0.0016947318826855964,E0,fcc,20.649414 +9,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,30.0,1.0,0.00014548285667054616,0.00014548285667054616,E0,fcc,20.649794 +10,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,33.0,1.0,0.00047962711197423495,0.00047962711197423495,E0,fcc,20.649863 +11,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,35.0,1.0,0.0002907629676669138,0.0002907629676669138,E0,fcc,20.649824 +12,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,37.0,1.0,0.00045016559844725,-0.00045016559844725,E0,fcc,20.649671 +13,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,40.0,1.0,5.790929873469133e-05,-5.790929873469133e-05,E0,fcc,20.649752 +14,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,42.0,1.0,4.378677896792741e-05,4.378677896792741e-05,E0,fcc,20.649773 +15,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,45.0,1.0,0.00020318940973105897,-0.00020318940973105897,E0,fcc,20.649722 +16,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,47.0,1.0,2.4010606167151747e-05,-2.4010606167151747e-05,E0,fcc,20.649759 +17,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,49.0,1.0,0.00026654961584278815,0.00026654961584278815,E0,fcc,20.649819 +18,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,51.0,1.0,0.00014992003571110074,-0.00014992003571110074,E0,fcc,20.649733 +19,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,53.0,1.0,8.252814190717398e-05,8.252814190717398e-05,E0,fcc,20.649781 +20,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,55.0,1.0,0.0001257066838697705,-0.0001257066838697705,E0,fcc,20.649738 +21,Tetra,allKp,DMol3,Al,LDA,20.649763958133498,1.82356699545634e-05,57.0,1.0,7.284280118096465e-05,7.284280118096465e-05,E0,fcc,20.649779 +0,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,7.0,1.0,0.3806919477537029,-0.3806919477537029,v0,fcc,15.7571 +1,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,10.0,1.0,0.3370688682809262,-0.3370688682809262,v0,fcc,15.764000000000001 +2,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,12.0,1.0,0.21441847092267655,-0.21441847092267655,v0,fcc,15.7834 +3,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,15.0,1.0,0.11010241131386854,-0.11010241131386854,v0,fcc,15.7999 +4,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,17.0,1.0,0.03594007213848069,0.03594007213848069,v0,fcc,15.823 +5,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,20.0,1.0,0.0007286033603799901,-0.0007286033603799901,v0,fcc,15.8172 +6,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,22.0,1.0,0.00831522587737829,-0.00831522587737829,v0,fcc,15.815999999999999 +7,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,25.0,1.0,0.009579662963554031,-0.009579662963554031,v0,fcc,15.8158 +8,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,27.0,1.0,0.02139904564755512,0.02139904564755512,v0,fcc,15.8207 +9,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,30.0,1.0,0.006225800613547285,0.006225800613547285,v0,fcc,15.8183 +10,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,33.0,1.0,0.003696926441207031,0.003696926441207031,v0,fcc,15.8179 +11,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,35.0,1.0,0.007050788791213778,-0.007050788791213778,v0,fcc,15.8162 +12,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,37.0,1.0,0.013180204587463329,0.013180204587463329,v0,fcc,15.8194 +13,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,40.0,1.0,0.003064707898124775,0.003064707898124775,v0,fcc,15.8178 +14,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,42.0,1.0,0.0011680522688780075,0.0011680522688780075,v0,fcc,15.8175 +15,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,45.0,1.0,0.0011680522688780075,0.0011680522688780075,v0,fcc,15.8175 +16,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,47.0,1.0,0.003696926441207031,0.003696926441207031,v0,fcc,15.8179 +17,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,49.0,1.0,0.005154133161967011,-0.005154133161967011,v0,fcc,15.8165 +18,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,51.0,1.0,0.0043291449842892855,0.0043291449842892855,v0,fcc,15.818 +19,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,53.0,1.0,0.0032574775327090127,-0.0032574775327090127,v0,fcc,15.8168 +20,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,55.0,1.0,0.0018002708119602636,0.0018002708119602636,v0,fcc,15.8176 +21,Tetra,allKp,DMol3,Al,LDA,15.8173152454904,0.000273561996243111,57.0,1.0,0.0011680522688780075,0.0011680522688780075,v0,fcc,15.8175 +0,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,7.0,1.0,0.7160401109407256,-0.7160401109407256,dB,fcc,4.528847 +1,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,10.0,1.0,6.6457119461425265,6.6457119461425265,dB,fcc,4.864654 +2,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,12.0,1.0,7.872389282690286,7.872389282690286,dB,fcc,4.920609 +3,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,15.0,1.0,3.818445939794239,3.818445939794239,dB,fcc,4.735688 +4,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,17.0,1.0,0.006483911183158457,0.006483911183158457,dB,fcc,4.5618050000000006 +5,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,20.0,1.0,0.45430656217754795,-0.45430656217754795,dB,fcc,4.540786 +6,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,22.0,1.0,0.7003112907631749,0.7003112907631749,dB,fcc,4.593454 +7,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,25.0,1.0,0.1196366270557973,-0.1196366270557973,dB,fcc,4.556051999999998 +8,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,27.0,1.0,0.20368775579002008,-0.20368775579002008,dB,fcc,4.552218 +9,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,30.0,1.0,0.3656955391353503,-0.3656955391353503,dB,fcc,4.544828 +10,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,33.0,1.0,0.4012320231411413,-0.4012320231411413,dB,fcc,4.543207 +11,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,35.0,1.0,0.4740703808681861,0.4740703808681861,dB,fcc,4.5831339999999985 +12,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,37.0,1.0,0.6502943271446985,-0.6502943271446985,dB,fcc,4.531846 +13,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,40.0,1.0,0.08732276066186545,-0.08732276066186545,dB,fcc,4.557526 +14,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,42.0,1.0,0.02330885980012021,-0.02330885980012021,dB,fcc,4.560446 +15,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,45.0,1.0,0.04149425353801578,0.04149425353801578,dB,fcc,4.563402 +16,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,47.0,1.0,0.20879571431768096,-0.20879571431768096,dB,fcc,4.551985 +17,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,49.0,1.0,0.2992159722129436,0.2992159722129436,dB,fcc,4.575158 +18,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,51.0,1.0,0.11025376761439047,-0.11025376761439047,dB,fcc,4.5564800000000005 +19,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,53.0,1.0,0.2206674082445674,0.2206674082445674,dB,fcc,4.571575 +20,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,55.0,1.0,0.022760795580414685,-0.022760795580414685,dB,fcc,4.560471 +21,Tetra,allKp,DMol3,Al,LDA,4.56150923579254,0.00428179858247232,57.0,1.0,0.10740383367192564,-0.10740383367192564,dB,fcc,4.55661 +0,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,7.0,1.0,1.3293388888603554,1.3293388888603554,B,fcc,178.374023 +1,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,9.0,1.0,0.14754914200478178,0.14754914200478178,B,fcc,176.293672 +2,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,11.0,1.0,0.2597780010334928,-0.2597780010334928,B,fcc,175.576638 +3,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,13.0,1.0,0.058264652847418726,0.058264652847418726,B,fcc,176.136501 +4,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,15.0,1.0,0.005202156819441807,0.005202156819441807,B,fcc,176.043093 +5,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,17.0,1.0,0.09516371840784422,-0.09516371840784422,B,fcc,175.866415 +6,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,19.0,1.0,0.14006358376792571,-0.14006358376792571,B,fcc,175.787376 +7,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,21.0,1.0,0.139093884376864,-0.139093884376864,B,fcc,175.789083 +8,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,23.0,1.0,0.08649379918915567,-0.08649379918915567,B,fcc,175.881677 +9,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,25.0,1.0,0.042229606716350336,-0.042229606716350336,B,fcc,175.959597 +10,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,27.0,1.0,0.044384304894602565,-0.044384304894602565,B,fcc,175.955804 +11,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,29.0,1.0,0.03716069771437399,-0.03716069771437399,B,fcc,175.96851999999996 +12,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,31.0,1.0,0.0335897953287889,-0.0335897953287889,B,fcc,175.974806 +13,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,33.0,1.0,0.0334494814743118,-0.0334494814743118,B,fcc,175.975053 +14,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,35.0,1.0,0.01328916414029531,-0.01328916414029531,B,fcc,176.010542 +15,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,37.0,1.0,0.016082943639527062,-0.016082943639527062,B,fcc,176.005624 +16,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,39.0,1.0,0.016385726167617725,-0.016385726167617725,B,fcc,176.005091 +17,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,41.0,1.0,0.0154194352102755,-0.0154194352102755,B,fcc,176.006792 +18,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,43.0,1.0,0.0024151244545265525,-0.0024151244545265525,B,fcc,176.029684 +19,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,45.0,1.0,0.009214949709920492,-0.009214949709920492,B,fcc,176.01771399999996 +20,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,47.0,1.0,0.00717613827787333,-0.00717613827787333,B,fcc,176.021303 +21,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,49.0,1.0,0.013596491246657127,-0.013596491246657127,B,fcc,176.010001 +22,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,51.0,1.0,0.011300343069360012,-0.011300343069360012,B,fcc,176.014043 +23,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,53.0,1.0,0.0034711708329501195,-0.0034711708329501195,B,fcc,176.027825 +24,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,55.0,1.0,0.00313437370085145,0.00313437370085145,B,fcc,176.039453 +25,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,57.0,1.0,0.002062351565340171,-0.002062351565340171,B,fcc,176.030305 +26,Tetra,allKp,DMol3,Au,LDA,176.03393543862305,0.00418247486614449,59.0,1.0,0.008499178630405342,-0.008499178630405342,B,fcc,176.018974 +0,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,7.0,1.0,0.07698382794674193,-0.07698382794674193,E0,fcc,19.929515 +1,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,9.0,1.0,0.023847355464015348,-0.023847355464015348,E0,fcc,19.940113 +2,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,11.0,1.0,0.00814908264429665,-0.00814908264429665,E0,fcc,19.943244 +3,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,13.0,1.0,0.002814377348808239,-0.002814377348808239,E0,fcc,19.944308 +4,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,15.0,1.0,0.0005431165416101721,-0.0005431165416101721,E0,fcc,19.944761 +5,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,17.0,1.0,0.0007955736030335229,0.0007955736030335229,E0,fcc,19.945028 +6,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,19.0,1.0,0.0013019695004478258,0.0013019695004478258,E0,fcc,19.945129 +7,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,21.0,1.0,0.0015376190764633086,0.0015376190764633086,E0,fcc,19.945176 +8,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,23.0,1.0,0.001497508510326192,0.001497508510326192,E0,fcc,19.945168 +9,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,25.0,1.0,0.001031223179049006,0.001031223179049006,E0,fcc,19.945075 +10,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,27.0,1.0,0.0006702280838683923,0.0006702280838683923,E0,fcc,19.945003 +11,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,29.0,1.0,0.0004044955832411653,0.0004044955832411653,E0,fcc,19.94495 +12,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,31.0,1.0,0.0002791500640938473,0.0002791500640938473,E0,fcc,19.944925 +13,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,33.0,1.0,0.00021898421488817198,0.00021898421488817198,E0,fcc,19.944913 +14,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,35.0,1.0,9.865251649463412e-05,9.865251649463412e-05,E0,fcc,19.944889 +15,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,37.0,1.0,8.361105419766844e-05,8.361105419766844e-05,E0,fcc,19.944886 +16,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,39.0,1.0,4.3500488060551595e-05,4.3500488060551595e-05,E0,fcc,19.944878 +17,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,41.0,1.0,3.3899219412474037e-06,3.3899219412474037e-06,E0,fcc,19.94487 +18,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,43.0,1.0,8.184503110457908e-05,-8.184503110457908e-05,E0,fcc,19.944853 +19,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,45.0,1.0,6.680356878980076e-05,-6.680356878980076e-05,E0,fcc,19.944856 +20,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,47.0,1.0,2.6693002652683906e-05,-2.6693002652683906e-05,E0,fcc,19.944864000000006 +21,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,49.0,1.0,2.8459025763585933e-05,2.8459025763585933e-05,E0,fcc,19.944875 +22,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,51.0,1.0,3.3899219412474037e-06,3.3899219412474037e-06,E0,fcc,19.94487 +23,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,53.0,1.0,3.672064419586945e-05,-3.672064419586945e-05,E0,fcc,19.944862 +24,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,55.0,1.0,4.674828572124233e-05,-4.674828572124233e-05,E0,fcc,19.94486 +25,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,57.0,1.0,3.3899219412474037e-06,3.3899219412474037e-06,E0,fcc,19.94487 +26,Tetra,allKp,DMol3,Au,LDA,19.9448693238845,5.64604314595442e-06,59.0,1.0,6.856959188289013e-05,6.856959188289013e-05,E0,fcc,19.944883 +0,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,7.0,1.0,0.19779549512337988,-0.19779549512337988,v0,fcc,16.878 +1,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,9.0,1.0,0.07480190265380056,-0.07480190265380056,v0,fcc,16.8988 +2,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,11.0,1.0,0.017443291698373418,0.017443291698373418,v0,fcc,16.9144 +3,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,13.0,1.0,0.002069092639670757,0.002069092639670757,v0,fcc,16.9118 +4,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,15.0,1.0,0.011531160373780826,-0.011531160373780826,v0,fcc,16.9095 +5,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,17.0,1.0,0.0038440608444505,-0.0038440608444505,v0,fcc,16.9108 +6,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,19.0,1.0,0.01921825990313216,-0.01921825990313216,v0,fcc,16.9082 +7,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,21.0,1.0,0.013305106419031907,-0.013305106419031907,v0,fcc,16.9092 +8,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,23.0,1.0,0.005618006889680576,-0.005618006889680576,v0,fcc,16.9105 +9,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,25.0,1.0,0.0002951465944406823,0.0002951465944406823,v0,fcc,16.9115 +10,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,27.0,1.0,0.0014777772912607323,0.0014777772912607323,v0,fcc,16.9117 +11,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,29.0,1.0,0.0038430386849008322,0.0038430386849008322,v0,fcc,16.9121 +12,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,31.0,1.0,0.003251723336490807,0.003251723336490807,v0,fcc,16.912 +13,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,33.0,1.0,0.002069092639670757,0.002069092639670757,v0,fcc,16.9118 +14,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,35.0,1.0,0.0014777772912607323,0.0014777772912607323,v0,fcc,16.9117 +15,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,37.0,1.0,0.003251723336490807,0.003251723336490807,v0,fcc,16.912 +16,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,39.0,1.0,0.0038430386849008322,0.0038430386849008322,v0,fcc,16.9121 +17,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,41.0,1.0,0.0026604079880807826,0.0026604079880807826,v0,fcc,16.9119 +18,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,43.0,1.0,0.002069092639670757,0.002069092639670757,v0,fcc,16.9118 +19,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,45.0,1.0,0.0014777772912607323,0.0014777772912607323,v0,fcc,16.9117 +20,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,47.0,1.0,0.0014777772912607323,0.0014777772912607323,v0,fcc,16.9117 +21,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,49.0,1.0,0.002069092639670757,0.002069092639670757,v0,fcc,16.9118 +22,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,51.0,1.0,0.0008864619428507072,0.0008864619428507072,v0,fcc,16.9116 +23,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,53.0,1.0,0.0002951465944406823,0.0002951465944406823,v0,fcc,16.9115 +24,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,55.0,1.0,0.0008864619428507072,0.0008864619428507072,v0,fcc,16.9116 +25,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,57.0,1.0,0.0008864619428507072,0.0008864619428507072,v0,fcc,16.9116 +26,Tetra,allKp,DMol3,Au,LDA,16.911450086431,4.10922809266369e-05,59.0,1.0,0.0002951465944406823,0.0002951465944406823,v0,fcc,16.9115 +0,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,7.0,1.0,0.605914481687418,0.605914481687418,dB,fcc,5.737674 +1,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,9.0,1.0,1.0418514564691301,1.0418514564691301,dB,fcc,5.762536 +2,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,11.0,1.0,1.1303813534750744,-1.1303813534750744,dB,fcc,5.638651 +3,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,13.0,1.0,0.3037107472061224,-0.3037107472061224,dB,fcc,5.685797 +4,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,15.0,1.0,0.483981180962126,0.483981180962126,dB,fcc,5.73072 +5,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,17.0,1.0,0.07438005405310981,-0.07438005405310981,dB,fcc,5.698876 +6,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,19.0,1.0,0.6411758949400056,0.6411758949400056,dB,fcc,5.739685 +7,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,21.0,1.0,0.5186464290975739,0.5186464290975739,dB,fcc,5.732697 +8,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,23.0,1.0,0.1934909604968054,0.1934909604968054,dB,fcc,5.714153 +9,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,25.0,1.0,0.01222107345616882,-0.01222107345616882,dB,fcc,5.702421 +10,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,27.0,1.0,0.058529075644181486,-0.058529075644181486,dB,fcc,5.6997800000000005 +11,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,29.0,1.0,0.1608765988442907,-0.1608765988442907,dB,fcc,5.693943 +12,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,31.0,1.0,0.13483821063937015,-0.13483821063937015,dB,fcc,5.695428 +13,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,33.0,1.0,0.02303971690562415,-0.02303971690562415,dB,fcc,5.701804 +14,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,35.0,1.0,0.02623157659999536,0.02623157659999536,dB,fcc,5.704614 +15,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,37.0,1.0,0.07155703688071871,-0.07155703688071871,dB,fcc,5.6990370000000015 +16,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,39.0,1.0,0.11832093004068647,-0.11832093004068647,dB,fcc,5.69637 +17,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,41.0,1.0,0.04520303184907441,-0.04520303184907441,dB,fcc,5.70054 +18,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,43.0,1.0,0.014851213678897978,-0.014851213678897978,dB,fcc,5.702271 +19,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,45.0,1.0,0.0030857197492557896,-0.0030857197492557896,dB,fcc,5.702942 +20,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,47.0,1.0,0.03582219838803771,-0.03582219838803771,dB,fcc,5.701075 +21,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,49.0,1.0,0.045413443066890255,-0.045413443066890255,dB,fcc,5.700528 +22,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,51.0,1.0,0.012449018942138576,-0.012449018942138576,dB,fcc,5.702408 +23,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,53.0,1.0,0.010661146481498544,0.010661146481498544,dB,fcc,5.7037260000000005 +24,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,55.0,1.0,0.017007928661518134,-0.017007928661518134,dB,fcc,5.702148 +25,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,57.0,1.0,0.03999535420809341,-0.03999535420809341,dB,fcc,5.700837 +26,Tetra,allKp,DMol3,Au,LDA,5.7031179822379015,0.000624284167904579,59.0,1.0,0.006610730538489099,0.006610730538489099,dB,fcc,5.703494999999998 +0,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,7.0,1.0,0.14113749386671814,-0.14113749386671814,B,bcc,290.329136 +1,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,9.0,1.0,0.0259897922698098,0.0259897922698098,B,bcc,290.815041 +2,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,11.0,1.0,0.027298180116124903,0.027298180116124903,B,bcc,290.818845 +3,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,13.0,1.0,0.15195783383968886,-0.15195783383968886,B,bcc,290.297677 +4,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,15.0,1.0,0.23201163364357424,-0.23201163364357424,B,bcc,290.064929 +5,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,17.0,1.0,0.021376383704449085,0.021376383704449085,B,bcc,290.801628 +6,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,19.0,1.0,0.007508582471542142,-0.007508582471542142,B,bcc,290.717648 +7,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,21.0,1.0,0.06226138070472925,-0.06226138070472925,B,bcc,290.55846 +8,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,23.0,1.0,0.011860992072403272,0.011860992072403272,B,bcc,290.773963 +9,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,25.0,1.0,0.003546272274495588,-0.003546272274495588,B,bcc,290.729168 +10,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,27.0,1.0,0.010937769334782516,-0.010937769334782516,B,bcc,290.707678 +11,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,29.0,1.0,0.0047652329809381114,-0.0047652329809381114,B,bcc,290.7256240000001 +12,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,31.0,1.0,0.010296301581525844,-0.010296301581525844,B,bcc,290.709543 +13,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,33.0,1.0,0.00393184082752764,-0.00393184082752764,B,bcc,290.728047 +14,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,35.0,1.0,0.00555047205906115,-0.00555047205906115,B,bcc,290.723341 +15,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,37.0,1.0,0.007319753626202411,-0.007319753626202411,B,bcc,290.7181970000001 +16,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,39.0,1.0,0.0011847673748360307,0.0011847673748360307,B,bcc,290.742923 +17,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,41.0,1.0,0.0032962797272408765,0.0032962797272408765,B,bcc,290.7490620000001 +18,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,43.0,1.0,0.007789934011588081,-0.007789934011588081,B,bcc,290.71683 +19,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,45.0,1.0,0.0039050721793782244,0.0039050721793782244,B,bcc,290.750832 +20,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,47.0,1.0,0.001828583288032004,-0.001828583288032004,B,bcc,290.734162 +21,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,49.0,1.0,0.008542557282392426,0.008542557282392426,B,bcc,290.764315 +22,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,51.0,1.0,0.0061090477326690975,-0.0061090477326690975,B,bcc,290.721717 +23,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,53.0,1.0,0.00045071743305296935,-0.00045071743305296935,B,bcc,290.7381680000001 +24,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,55.0,1.0,0.0006189687399105285,0.0006189687399105285,B,bcc,290.741278 +25,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,57.0,1.0,0.003420445871416099,0.003420445871416099,B,bcc,290.749423 +26,Tetra,allKp,DMol3,Cr,LDA,290.739478413514,0.00543784305734624,59.0,1.0,0.003320984672148325,-0.003320984672148325,B,bcc,290.729823 +0,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,7.0,1.0,0.2147717194300653,0.2147717194300653,E0,bcc,11.313688 +1,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,9.0,1.0,0.02333620818029158,0.02333620818029158,E0,bcc,11.292076 +2,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,11.0,1.0,0.031582851756720806,0.031582851756720806,E0,bcc,11.293007 +3,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,13.0,1.0,0.023433644355727992,0.023433644355727992,E0,bcc,11.292087 +4,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,15.0,1.0,0.01241449869615606,0.01241449869615606,E0,bcc,11.290843 +5,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,17.0,1.0,0.007826140616047953,0.007826140616047953,E0,bcc,11.290325 +6,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,19.0,1.0,0.006063431623878921,0.006063431623878921,E0,bcc,11.290126 +7,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,21.0,1.0,0.004557599821535406,0.004557599821535406,E0,bcc,11.289956 +8,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,23.0,1.0,0.0039906984371194726,0.0039906984371194726,E0,bcc,11.289892 +9,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,25.0,1.0,0.002334283454527445,0.002334283454527445,E0,bcc,11.289705 +10,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,27.0,1.0,0.00244943529822931,0.00244943529822931,E0,bcc,11.289718 +11,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,29.0,1.0,0.0014927892120362724,0.0014927892120362724,E0,bcc,11.28961 +12,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,31.0,1.0,0.0015282205485671854,0.0015282205485671854,E0,bcc,11.289614 +13,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,33.0,1.0,0.0012624855246168075,0.0012624855246168075,E0,bcc,11.289584 +14,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,35.0,1.0,0.0009436034958857949,0.0009436034958857949,E0,bcc,11.289548 +15,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,37.0,1.0,0.0011827650174301204,0.0011827650174301204,E0,bcc,11.289575 +16,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,39.0,1.0,0.0006690106378105563,0.0006690106378105563,E0,bcc,11.289517 +17,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,41.0,1.0,0.0007575889791221039,0.0007575889791221039,E0,bcc,11.289527 +18,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,43.0,1.0,0.00046528045278140877,0.00046528045278140877,E0,bcc,11.289494 +19,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,45.0,1.0,0.0005095696234529173,0.0005095696234529173,E0,bcc,11.289499 +20,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,47.0,1.0,0.00046528045278140877,0.00046528045278140877,E0,bcc,11.289494 +21,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,49.0,1.0,0.0003146972725486308,0.0003146972725486308,E0,bcc,11.289477 +22,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,51.0,1.0,0.00046528045278140877,0.00046528045278140877,E0,bcc,11.289494 +23,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,53.0,1.0,0.00026155026776799597,0.00026155026776799597,E0,bcc,11.289471 +24,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,55.0,1.0,0.0003146972725486308,0.0003146972725486308,E0,bcc,11.289477 +25,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,57.0,1.0,0.00014639842405039623,0.00014639842405039623,E0,bcc,11.289458 +26,Tetra,allKp,DMol3,Cr,LDA,11.2894414724356,4.03897098215916e-06,59.0,1.0,0.00026155026776799597,0.00026155026776799597,E0,bcc,11.289471 +0,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,7.0,1.0,0.11912995467676707,0.11912995467676707,v0,bcc,10.8078 +1,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,9.0,1.0,0.03390483989087043,0.03390483989087043,v0,bcc,10.7986 +2,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,11.0,1.0,0.04224207938079224,0.04224207938079224,v0,bcc,10.7995 +3,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,13.0,1.0,0.02649396034427144,0.02649396034427144,v0,bcc,10.7978 +4,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,15.0,1.0,0.002223197898801713,-0.002223197898801713,v0,bcc,10.7947 +5,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,17.0,1.0,0.0014822418744895554,0.0014822418744895554,v0,bcc,10.7951 +6,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,19.0,1.0,0.01723036091101036,0.01723036091101036,v0,bcc,10.7968 +7,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,21.0,1.0,0.002408601817812373,0.002408601817812373,v0,bcc,10.7952 +8,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,23.0,1.0,0.0014822418744895554,0.0014822418744895554,v0,bcc,10.7951 +9,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,25.0,1.0,0.0014822418744895554,0.0014822418744895554,v0,bcc,10.7951 +10,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,27.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +11,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,29.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +12,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,31.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +13,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,33.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +14,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,35.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +15,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,37.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +16,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,39.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +17,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,41.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +18,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,43.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +19,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,45.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +20,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,47.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +21,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,49.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +22,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,51.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +23,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,53.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +24,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,55.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +25,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,57.0,1.0,0.0003704780121560786,-0.0003704780121560786,v0,bcc,10.7949 +26,Tetra,allKp,DMol3,Cr,LDA,10.7949399928791,2.3212077051522105e-05,59.0,1.0,0.0005558819311667385,0.0005558819311667385,v0,bcc,10.795 +0,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,7.0,1.0,0.7124621850910475,-0.7124621850910475,dB,bcc,4.5458870000000005 +1,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,9.0,1.0,0.4556915047152566,0.4556915047152566,dB,bcc,4.599371 +2,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,11.0,1.0,0.4911834227830159,0.4911834227830159,dB,bcc,4.600996 +3,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,13.0,1.0,0.060322458030755664,0.060322458030755664,dB,bcc,4.581269 +4,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,15.0,1.0,0.5486694094625728,0.5486694094625728,dB,bcc,4.603628 +5,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,17.0,1.0,0.2857234392363754,0.2857234392363754,dB,bcc,4.591589 +6,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,19.0,1.0,0.28627523293356816,-0.28627523293356816,dB,bcc,4.5654 +7,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,21.0,1.0,0.028696428884853523,0.028696428884853523,dB,bcc,4.579821 +8,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,23.0,1.0,0.0424839778737787,-0.0424839778737787,dB,bcc,4.576562 +9,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,25.0,1.0,0.037569712295159916,-0.037569712295159916,dB,bcc,4.576787 +10,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,27.0,1.0,0.06071559927706069,0.06071559927706069,dB,bcc,4.5812870000000006 +11,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,29.0,1.0,0.026250216685710655,0.026250216685710655,dB,bcc,4.5797089999999985 +12,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,31.0,1.0,0.04964212083990894,0.04964212083990894,dB,bcc,4.58078 +13,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,33.0,1.0,0.009629078439855304,0.009629078439855304,dB,bcc,4.5789480000000005 +14,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,35.0,1.0,0.022127997788142038,-0.022127997788142038,dB,bcc,4.5774940000000015 +15,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,37.0,1.0,0.024765016421977898,0.024765016421977898,dB,bcc,4.5796410000000005 +16,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,39.0,1.0,0.030733422845817874,-0.030733422845817874,dB,bcc,4.5771 +17,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,41.0,1.0,0.05047784988166397,-0.05047784988166397,dB,bcc,4.576196 +18,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,43.0,1.0,0.02791014639228228,0.02791014639228228,dB,bcc,4.579785 +19,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,45.0,1.0,0.02552945773419671,0.02552945773419671,dB,bcc,4.579676 +20,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,47.0,1.0,0.04180690128295023,-0.04180690128295023,dB,bcc,4.576593 +21,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,49.0,1.0,0.0265835985794179,-0.0265835985794179,dB,bcc,4.5772900000000005 +22,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,51.0,1.0,0.0405998721752814,0.0405998721752814,dB,bcc,4.5803660000000015 +23,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,53.0,1.0,0.016755067422199718,-0.016755067422199718,dB,bcc,4.57774 +24,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,55.0,1.0,0.0006799586850582372,-0.0006799586850582372,dB,bcc,4.578476 +25,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,57.0,1.0,0.016902191496187834,0.016902191496187834,dB,bcc,4.579281 +26,Tetra,allKp,DMol3,Cr,LDA,4.57850713195689,0.00046420162820833797,59.0,1.0,0.011338454695571931,-0.011338454695571931,dB,bcc,4.577988 +0,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,7.0,1.0,0.7124811931503016,0.7124811931503016,B,fcc,177.51257900000004 +1,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,9.0,1.0,0.0582982232055168,-0.0582982232055168,B,fcc,176.154028 +2,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,11.0,1.0,0.08261096416025167,0.08261096416025167,B,fcc,176.40239 +3,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,13.0,1.0,0.05202433979711931,0.05202433979711931,B,fcc,176.348479 +4,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,15.0,1.0,0.13582658722395266,-0.13582658722395266,B,fcc,176.017379 +5,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,17.0,1.0,0.12775419146685804,0.12775419146685804,B,fcc,176.48195800000005 +6,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,19.0,1.0,0.07167578213849563,0.07167578213849563,B,fcc,176.383116 +7,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,21.0,1.0,0.053633438179949665,-0.053633438179949665,B,fcc,176.16225 +8,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,23.0,1.0,0.113242491781486,-0.113242491781486,B,fcc,176.057185 +9,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,25.0,1.0,0.1194215447751114,-0.1194215447751114,B,fcc,176.046294 +10,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,27.0,1.0,0.08720831634139271,-0.08720831634139271,B,fcc,176.103072 +11,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,29.0,1.0,0.010549706086556023,-0.010549706086556023,B,fcc,176.23818799999995 +12,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,31.0,1.0,0.001580323571295785,0.001580323571295785,B,fcc,176.259568 +13,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,33.0,1.0,0.054189445152104165,-0.054189445152104165,B,fcc,176.16127 +14,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,35.0,1.0,0.03721421187978146,-0.03721421187978146,B,fcc,176.19118999999995 +15,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,37.0,1.0,0.0027303502371713163,0.0027303502371713163,B,fcc,176.261595 +16,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,39.0,1.0,0.005345285068470629,0.005345285068470629,B,fcc,176.26620400000004 +17,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,41.0,1.0,0.026813477376147483,-0.026813477376147483,B,fcc,176.209522 +18,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,43.0,1.0,0.01716618905518989,-0.01716618905518989,B,fcc,176.226526 +19,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,45.0,1.0,0.0032053078676084396,-0.0032053078676084396,B,fcc,176.251133 +20,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,47.0,1.0,0.0011344655733599815,-0.0011344655733599815,B,fcc,176.254783 +21,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,49.0,1.0,0.017478801138514872,-0.017478801138514872,B,fcc,176.225975 +22,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,51.0,1.0,0.02187466034285753,-0.02187466034285753,B,fcc,176.218227 +23,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,53.0,1.0,0.00012060388026817295,-0.00012060388026817295,B,fcc,176.25656999999995 +24,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,55.0,1.0,0.014353732725486991,0.014353732725486991,B,fcc,176.282082 +25,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,57.0,1.0,0.006967999948560009,-0.006967999948560009,B,fcc,176.244501 +26,Tetra,allKp,DMol3,Cu,LDA,176.256782572519,0.009009198322128,59.0,1.0,0.009150610991300831,-0.009150610991300831,B,fcc,176.240654 +0,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,7.0,1.0,0.05845929293544708,-0.05845929293544708,E0,fcc,20.951743 +1,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,9.0,1.0,0.01279052395858917,-0.01279052395858917,E0,fcc,20.961317 +2,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,11.0,1.0,0.0040946637283070415,-0.0040946637283070415,E0,fcc,20.96314 +3,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,13.0,1.0,0.0020396622487402734,0.0020396622487402734,E0,fcc,20.964426 +4,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,15.0,1.0,0.003866603811107728,0.003866603811107728,E0,fcc,20.964809 +5,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,17.0,1.0,0.0022590860395263184,0.0022590860395263184,E0,fcc,20.964472 +6,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,19.0,1.0,0.0021875348033963808,0.0021875348033963808,E0,fcc,20.964457 +7,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,21.0,1.0,0.0018679392820352048,0.0018679392820352048,E0,fcc,20.96439 +8,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,23.0,1.0,0.00142432161806688,0.00142432161806688,E0,fcc,20.964297 +9,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,25.0,1.0,0.0009330031300175804,0.0009330031300175804,E0,fcc,20.964194 +10,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,27.0,1.0,0.0005800170318149723,0.0005800170318149723,E0,fcc,20.96412 +11,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,29.0,1.0,0.00016024977987866233,0.00016024977987866233,E0,fcc,20.964032 +12,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,31.0,1.0,3.622763727151538e-05,3.622763727151538e-05,E0,fcc,20.964006 +13,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,33.0,1.0,5.053788449411336e-05,5.053788449411336e-05,E0,fcc,20.964009 +14,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,35.0,1.0,2.1917390031970666e-05,2.1917390031970666e-05,E0,fcc,20.964003 +15,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,37.0,1.0,0.00011164491738459268,-0.00011164491738459268,E0,fcc,20.963975 +16,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,39.0,1.0,0.00016888590629193133,-0.00016888590629193133,E0,fcc,20.963963 +17,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,41.0,1.0,4.963384608101922e-05,-4.963384608101922e-05,E0,fcc,20.963988 +18,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,43.0,1.0,4.0093681271602815e-05,-4.0093681271602815e-05,E0,fcc,20.96399 +19,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,45.0,1.0,0.00010687483497141112,-0.00010687483497141112,E0,fcc,20.963976 +20,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,47.0,1.0,0.00010210475257517629,-0.00010210475257517629,E0,fcc,20.963977 +21,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,49.0,1.0,4.0093681271602815e-05,-4.0093681271602815e-05,E0,fcc,20.96399 +22,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,51.0,1.0,7.607142809372687e-06,7.607142809372687e-06,E0,fcc,20.964000000000002 +23,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,53.0,1.0,4.0093681271602815e-05,-4.0093681271602815e-05,E0,fcc,20.96399 +24,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,55.0,1.0,4.0093681271602815e-05,-4.0093681271602815e-05,E0,fcc,20.96399 +25,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,57.0,1.0,2.8370603961911163e-06,2.8370603961911163e-06,E0,fcc,20.963999 +26,Tetra,allKp,DMol3,Cu,LDA,20.9639984052387,4.42045844080776e-06,59.0,1.0,1.7147307635735835e-05,1.7147307635735835e-05,E0,fcc,20.964002 +0,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,7.0,1.0,0.19755470412025788,-0.19755470412025788,v0,fcc,10.9259 +1,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,9.0,1.0,0.0011633245669599914,-0.0011633245669599914,v0,fcc,10.9474 +2,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,11.0,1.0,0.04500884186257592,-0.04500884186257592,v0,fcc,10.9426 +3,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,13.0,1.0,0.022172634937777984,-0.022172634937777984,v0,fcc,10.9451 +4,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,15.0,1.0,0.02034573838379804,-0.02034573838379804,v0,fcc,10.9453 +5,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,17.0,1.0,0.023999531491757924,-0.023999531491757924,v0,fcc,10.9449 +6,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,19.0,1.0,0.017605393552811904,-0.017605393552811904,v0,fcc,10.9456 +7,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,21.0,1.0,0.013038152167862057,-0.013038152167862057,v0,fcc,10.9461 +8,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,23.0,1.0,0.003403916818006085,0.003403916818006085,v0,fcc,10.9479 +9,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,25.0,1.0,0.007971158202955936,0.007971158202955936,v0,fcc,10.9484 +10,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,27.0,1.0,0.005230813371986025,0.005230813371986025,v0,fcc,10.9481 +11,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,29.0,1.0,0.005230813371986025,0.005230813371986025,v0,fcc,10.9481 +12,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,31.0,1.0,0.006144261648975996,0.006144261648975996,v0,fcc,10.9482 +13,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,33.0,1.0,0.008884606479945906,0.008884606479945906,v0,fcc,10.9485 +14,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,35.0,1.0,0.0006635719870199487,0.0006635719870199487,v0,fcc,10.9476 +15,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,37.0,1.0,0.001577020264009919,0.001577020264009919,v0,fcc,10.9477 +16,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,39.0,1.0,0.003403916818006085,0.003403916818006085,v0,fcc,10.9479 +17,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,41.0,1.0,0.003403916818006085,0.003403916818006085,v0,fcc,10.9479 +18,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,43.0,1.0,0.0024904685410161147,0.0024904685410161147,v0,fcc,10.9478 +19,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,45.0,1.0,0.0006635719870199487,0.0006635719870199487,v0,fcc,10.9476 +20,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,47.0,1.0,0.001577020264009919,0.001577020264009919,v0,fcc,10.9477 +21,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,49.0,1.0,0.003403916818006085,0.003403916818006085,v0,fcc,10.9479 +22,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,51.0,1.0,0.001577020264009919,0.001577020264009919,v0,fcc,10.9477 +23,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,53.0,1.0,0.00024987628997002136,-0.00024987628997002136,v0,fcc,10.9475 +24,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,55.0,1.0,0.00024987628997002136,-0.00024987628997002136,v0,fcc,10.9475 +25,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,57.0,1.0,0.001577020264009919,0.001577020264009919,v0,fcc,10.9477 +26,Tetra,allKp,DMol3,Cu,LDA,10.947527355275199,5.20405505984384e-05,59.0,1.0,0.0006635719870199487,0.0006635719870199487,v0,fcc,10.9476 +0,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,7.0,1.0,1.255495341881394,1.255495341881394,dB,fcc,5.197677 +1,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,9.0,1.0,0.3626088032187927,-0.3626088032187927,dB,fcc,5.114616000000002 +2,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,11.0,1.0,0.2751183767332757,0.2751183767332757,dB,fcc,5.147352 +3,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,13.0,1.0,0.2199873919072721,0.2199873919072721,dB,fcc,5.144522 +4,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,15.0,1.0,0.03277745901765205,-0.03277745901765205,dB,fcc,5.131547 +5,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,17.0,1.0,0.06570020260633147,-0.06570020260633147,dB,fcc,5.129857 +6,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,19.0,1.0,0.0802897621590826,0.0802897621590826,dB,fcc,5.137351 +7,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,21.0,1.0,0.6694899869162555,0.6694899869162555,dB,fcc,5.167596 +8,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,23.0,1.0,0.06579596261471543,0.06579596261471543,dB,fcc,5.136607 +9,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,25.0,1.0,0.2074433282579688,-0.2074433282579688,dB,fcc,5.1225809999999985 +10,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,27.0,1.0,0.06605085904693538,-0.06605085904693538,dB,fcc,5.129839 +11,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,29.0,1.0,0.002346627781390978,0.002346627781390978,dB,fcc,5.13335 +12,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,31.0,1.0,0.026483479441967432,0.026483479441967432,dB,fcc,5.134589 +13,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,33.0,1.0,0.17933237027070958,-0.17933237027070958,dB,fcc,5.124024 +14,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,35.0,1.0,0.18305158016517234,0.18305158016517234,dB,fcc,5.142626 +15,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,37.0,1.0,0.13703766279448948,0.13703766279448948,dB,fcc,5.140264 +16,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,39.0,1.0,0.03877758033441373,-0.03877758033441373,dB,fcc,5.131239 +17,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,41.0,1.0,0.002874257000722284,-0.002874257000722284,dB,fcc,5.133082 +18,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,43.0,1.0,0.06883498509981659,0.06883498509981659,dB,fcc,5.136762999999998 +19,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,45.0,1.0,0.05954258942421119,0.05954258942421119,dB,fcc,5.136286 +20,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,47.0,1.0,0.05342558262725397,0.05342558262725397,dB,fcc,5.135972 +21,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,49.0,1.0,0.10399967828405728,-0.10399967828405728,dB,fcc,5.127891 +22,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,51.0,1.0,0.017718712985676042,-0.017718712985676042,dB,fcc,5.13232 +23,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,53.0,1.0,0.08554960876793348,0.08554960876793348,dB,fcc,5.137621 +24,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,55.0,1.0,0.12832969451984444,0.12832969451984444,dB,fcc,5.139817 +25,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,57.0,1.0,0.03065403946076366,-0.03065403946076366,dB,fcc,5.131656 +26,Tetra,allKp,DMol3,Cu,LDA,5.13322954220948,0.00167903081709889,59.0,1.0,0.02030967446336386,-0.02030967446336386,dB,fcc,5.132187 +0,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,7.0,1.0,1.880035557789479,-1.880035557789479,B,bcc,238.879275 +1,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,9.0,1.0,0.781136864089489,0.781136864089489,B,bcc,245.358068 +2,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,11.0,1.0,1.031519970382576,-1.031519970382576,B,bcc,240.94504 +3,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,13.0,1.0,0.06373659184867439,-0.06373659184867439,B,bcc,243.30117 +4,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,15.0,1.0,0.261027592762617,0.261027592762617,B,bcc,244.091829 +5,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,17.0,1.0,0.09930208635442718,0.09930208635442718,B,bcc,243.698098 +6,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,19.0,1.0,0.206070531025603,-0.206070531025603,B,bcc,242.954649 +7,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,21.0,1.0,0.09017090027347707,-0.09017090027347707,B,bcc,243.236814 +8,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,23.0,1.0,0.07266117004322442,0.07266117004322442,B,bcc,243.633239 +9,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,25.0,1.0,0.02090158160972757,0.02090158160972757,B,bcc,243.507227 +10,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,27.0,1.0,0.04417333058856248,-0.04417333058856248,B,bcc,243.348798 +11,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,29.0,1.0,0.028708545452846745,-0.028708545452846745,B,bcc,243.386448 +12,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,31.0,1.0,0.01448441459311991,0.01448441459311991,B,bcc,243.491604 +13,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,33.0,1.0,0.0136514110272343,0.0136514110272343,B,bcc,243.489576 +14,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,35.0,1.0,0.017719306103020426,-0.017719306103020426,B,bcc,243.413202 +15,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,37.0,1.0,0.005126083062501995,-0.005126083062501995,B,bcc,243.443861 +16,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,39.0,1.0,0.007369791928170471,0.007369791928170471,B,bcc,243.474283 +17,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,41.0,1.0,0.008026583201252605,0.008026583201252605,B,bcc,243.475882 +18,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,43.0,1.0,0.0032376342000058392,0.0032376342000058392,B,bcc,243.464223 +19,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,45.0,1.0,0.007750558351029719,0.007750558351029719,B,bcc,243.47521 +20,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,47.0,1.0,0.0020604210738670737,0.0020604210738670737,B,bcc,243.461357 +21,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,49.0,1.0,0.0006858618854261196,-0.0006858618854261196,B,bcc,243.454671 +22,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,51.0,1.0,0.0004488584053827794,-0.0004488584053827794,B,bcc,243.455248 +23,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,53.0,1.0,0.0038340450371122992,0.0038340450371122992,B,bcc,243.465675 +24,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,55.0,1.0,0.003493942989512696,0.003493942989512696,B,bcc,243.464847 +25,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,57.0,1.0,0.004082364097562773,-0.004082364097562773,B,bcc,243.446402 +26,Tetra,allKp,DMol3,Fe,LDA,243.456340774249,0.00432904592933189,59.0,1.0,0.001533427200595117,0.001533427200595117,B,bcc,243.460074 +0,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,7.0,1.0,0.05613703790642025,0.05613703790642025,E0,bcc,13.536951 +1,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,9.0,1.0,0.006977569967003907,-0.006977569967003907,E0,bcc,13.528412 +2,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,11.0,1.0,0.022077767139260168,0.022077767139260168,E0,bcc,13.532343 +3,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,13.0,1.0,0.008130318368076274,0.008130318368076274,E0,bcc,13.530456 +4,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,15.0,1.0,0.0012933336763287296,0.0012933336763287296,E0,bcc,13.529531 +5,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,17.0,1.0,0.001374638359154422,0.001374638359154422,E0,bcc,13.529542 +6,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,19.0,1.0,0.0023650772226029523,0.0023650772226029523,E0,bcc,13.529676 +7,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,21.0,1.0,0.0014189863679720171,0.0014189863679720171,E0,bcc,13.529548000000002 +8,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,23.0,1.0,2.941542520452008e-05,2.941542520452008e-05,E0,bcc,13.52936 +9,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,25.0,1.0,1.493258359994534e-05,-1.493258359994534e-05,E0,bcc,13.529354 +10,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,27.0,1.0,0.00032506881728243164,0.00032506881728243164,E0,bcc,13.5294 +11,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,29.0,1.0,0.00027332947365533923,0.00027332947365533923,E0,bcc,13.529393 +12,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,31.0,1.0,2.2024090395022747e-05,2.2024090395022747e-05,E0,bcc,13.529359 +13,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,33.0,1.0,2.941542520452008e-05,2.941542520452008e-05,E0,bcc,13.52936 +14,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,35.0,1.0,0.00014767678203831062,0.00014767678203831062,E0,bcc,13.529376 +15,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,37.0,1.0,0.00011072010801708326,0.00011072010801708326,E0,bcc,13.529371 +16,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,39.0,1.0,4.419809479725545e-05,4.419809479725545e-05,E0,bcc,13.529362 +17,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,41.0,1.0,7.541248816707298e-06,-7.541248816707298e-06,E0,bcc,13.529355 +18,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,43.0,1.0,1.463275558552541e-05,1.463275558552541e-05,E0,bcc,13.529357999999998 +19,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,45.0,1.0,7.24142080228737e-06,7.24142080228737e-06,E0,bcc,13.529357 +20,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,47.0,1.0,7.24142080228737e-06,7.24142080228737e-06,E0,bcc,13.529357 +21,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,49.0,1.0,1.463275558552541e-05,1.463275558552541e-05,E0,bcc,13.529357999999998 +22,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,51.0,1.0,1.463275558552541e-05,1.463275558552541e-05,E0,bcc,13.529357999999998 +23,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,53.0,1.0,1.463275558552541e-05,1.463275558552541e-05,E0,bcc,13.529357999999998 +24,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,55.0,1.0,7.24142080228737e-06,7.24142080228737e-06,E0,bcc,13.529357 +25,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,57.0,1.0,7.24142080228737e-06,7.24142080228737e-06,E0,bcc,13.529357 +26,Tetra,allKp,DMol3,Fe,LDA,13.5293560202824,1.2498231072715e-06,59.0,1.0,2.941542520452008e-05,2.941542520452008e-05,E0,bcc,13.52936 +0,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,7.0,1.0,0.10270625372511724,0.10270625372511724,v0,bcc,10.5203 +1,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,9.0,1.0,0.1236396827868565,0.1236396827868565,v0,bcc,10.5225 +2,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,11.0,1.0,0.07986978565775305,0.07986978565775305,v0,bcc,10.5179 +3,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,13.0,1.0,0.00279670593045802,0.00279670593045802,v0,bcc,10.5098 +4,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,15.0,1.0,0.03907015219302048,-0.03907015219302048,v0,bcc,10.5054 +5,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,17.0,1.0,0.034196849523058445,0.034196849523058445,v0,bcc,10.5131 +6,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,19.0,1.0,0.00850582294729907,0.00850582294729907,v0,bcc,10.5104 +7,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,21.0,1.0,0.0029124110863830307,-0.0029124110863830307,v0,bcc,10.5092 +8,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,23.0,1.0,0.005766969594795105,-0.005766969594795105,v0,bcc,10.5089 +9,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,25.0,1.0,0.0056512644388700935,0.0056512644388700935,v0,bcc,10.5101 +10,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,27.0,1.0,0.0008936669248499707,0.0008936669248499707,v0,bcc,10.5096 +11,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,29.0,1.0,0.0010093720807749812,-0.0010093720807749812,v0,bcc,10.5094 +12,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,31.0,1.0,0.0010093720807749812,-0.0010093720807749812,v0,bcc,10.5094 +13,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,33.0,1.0,0.003748225433262045,0.003748225433262045,v0,bcc,10.5099 +14,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,35.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +15,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,37.0,1.0,0.0010093720807749812,-0.0010093720807749812,v0,bcc,10.5094 +16,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,39.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +17,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,41.0,1.0,0.0008936669248499707,0.0008936669248499707,v0,bcc,10.5096 +18,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,43.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +19,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,45.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +20,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,47.0,1.0,0.0008936669248499707,0.0008936669248499707,v0,bcc,10.5096 +21,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,49.0,1.0,0.0008936669248499707,0.0008936669248499707,v0,bcc,10.5096 +22,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,51.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +23,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,53.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +24,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,55.0,1.0,0.0008936669248499707,0.0008936669248499707,v0,bcc,10.5096 +25,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,57.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +26,Tetra,allKp,DMol3,Fe,LDA,10.509506080020198,2.33147497873744e-05,59.0,1.0,5.785257797095642e-05,-5.785257797095642e-05,v0,bcc,10.5095 +0,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,7.0,1.0,3.403255614374919,-3.403255614374919,dB,bcc,4.867154 +1,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,9.0,1.0,5.1699654804937225,-5.1699654804937225,dB,bcc,4.778136 +2,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,11.0,1.0,0.46227849164902396,-0.46227849164902396,dB,bcc,5.015339 +3,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,13.0,1.0,1.5422542726676962,-1.5422542726676962,dB,bcc,4.960923 +4,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,15.0,1.0,1.5481681902351814,1.5481681902351814,dB,bcc,5.116638 +5,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,17.0,1.0,1.4797372976932666,-1.4797372976932666,dB,bcc,4.964073 +6,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,19.0,1.0,0.10071206305084852,-0.10071206305084852,dB,bcc,5.033557 +7,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,21.0,1.0,0.10865033980798286,0.10865033980798286,dB,bcc,5.044106 +8,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,23.0,1.0,0.2960821847789588,0.2960821847789588,dB,bcc,5.05355 +9,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,25.0,1.0,0.35079980960731044,-0.35079980960731044,dB,bcc,5.020956 +10,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,27.0,1.0,0.09106620018024532,0.09106620018024532,dB,bcc,5.04322 +11,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,29.0,1.0,0.014954263981219703,0.014954263981219703,dB,bcc,5.039385 +12,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,31.0,1.0,0.09203868645763796,0.09203868645763796,dB,bcc,5.043269 +13,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,33.0,1.0,0.20264450224726488,-0.20264450224726488,dB,bcc,5.028421 +14,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,35.0,1.0,0.013485611235777156,0.013485611235777156,dB,bcc,5.039311 +15,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,37.0,1.0,0.07913835828830502,0.07913835828830502,dB,bcc,5.042619 +16,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,39.0,1.0,0.03174492399175219,-0.03174492399175219,dB,bcc,5.037032 +17,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,41.0,1.0,0.1256990063819027,-0.1256990063819027,dB,bcc,5.032298 +18,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,43.0,1.0,0.02573099966727929,0.02573099966727929,dB,bcc,5.039928 +19,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,45.0,1.0,0.013069218134308398,-0.013069218134308398,dB,bcc,5.037973 +20,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,47.0,1.0,0.027537432342672724,-0.027537432342672724,dB,bcc,5.037244 +21,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,49.0,1.0,0.06570255706517204,-0.06570255706517204,dB,bcc,5.035321 +22,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,51.0,1.0,0.009436892856478595,0.009436892856478595,dB,bcc,5.039107 +23,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,53.0,1.0,0.024937520050091897,-0.024937520050091897,dB,bcc,5.037375 +24,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,55.0,1.0,0.05526321457736382,-0.05526321457736382,dB,bcc,5.035847 +25,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,57.0,1.0,0.017534329615075717,0.017534329615075717,dB,bcc,5.039515 +26,Tetra,allKp,DMol3,Fe,LDA,5.038631509742992,0.00077272364566612,59.0,1.0,0.0019749359086869934,-0.0019749359086869934,dB,bcc,5.038532 +0,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,7.0,1.0,0.4461757536714116,-0.4461757536714116,B,fcc,394.030864 +1,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,9.0,1.0,0.062128952767742475,-0.062128952767742475,B,fcc,395.550909 +2,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,11.0,1.0,0.1642710080590836,-0.1642710080590836,B,fcc,395.146634 +3,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,13.0,1.0,0.040492388848234084,0.040492388848234084,B,fcc,395.957081 +4,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,15.0,1.0,0.0702068777005144,0.0702068777005144,B,fcc,396.07469 +5,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,17.0,1.0,0.018729454665731088,0.018729454665731088,B,fcc,395.870944 +6,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,19.0,1.0,0.0470616258013066,-0.0470616258013066,B,fcc,395.610545 +7,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,21.0,1.0,0.01423872384840763,-0.01423872384840763,B,fcc,395.740457 +8,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,23.0,1.0,0.04586079993185773,0.04586079993185773,B,fcc,395.978329 +9,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,25.0,1.0,0.016093968699074864,-0.016093968699074864,B,fcc,395.733114 +10,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,27.0,1.0,0.009207607041729715,-0.009207607041729715,B,fcc,395.76037 +11,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,29.0,1.0,0.0025711638881536487,0.0025711638881536487,B,fcc,395.80699 +12,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,31.0,1.0,0.006844273209084785,-0.006844273209084785,B,fcc,395.769724 +13,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,33.0,1.0,0.00411105261879621,-0.00411105261879621,B,fcc,395.780542 +14,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,35.0,1.0,0.000847046924929139,0.000847046924929139,B,fcc,395.800166 +15,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,37.0,1.0,0.002691174960475267,0.002691174960475267,B,fcc,395.807465 +16,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,39.0,1.0,0.0012820758255215705,-0.0012820758255215705,B,fcc,395.791739 +17,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,41.0,1.0,0.008514574680937375,-0.008514574680937375,B,fcc,395.763113 +18,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,43.0,1.0,0.00311942499751189,0.00311942499751189,B,fcc,395.80916 +19,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,45.0,1.0,0.0031896630566770018,0.0031896630566770018,B,fcc,395.809438 +20,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,47.0,1.0,0.011052745696844056,-0.011052745696844056,B,fcc,395.753067 +21,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,49.0,1.0,0.002229827132978156,0.002229827132978156,B,fcc,395.805639 +22,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,51.0,1.0,0.0018687832964594485,0.0018687832964594485,B,fcc,395.80421 +23,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,53.0,1.0,0.007186620583814129,-0.007186620583814129,B,fcc,395.768369 +24,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,55.0,1.0,0.0011145656340539756,-0.0011145656340539756,B,fcc,395.792402 +25,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,57.0,1.0,0.0004397672437067709,0.0004397672437067709,B,fcc,395.798554 +26,Tetra,allKp,DMol3,Ir,LDA,395.796813415263,0.00655048591075256,59.0,1.0,0.00019696589527607732,0.00019696589527607732,B,fcc,395.797593 +0,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,7.0,1.0,0.1895306752462763,-0.1895306752462763,E0,fcc,14.977346 +1,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,9.0,1.0,0.043919266480078385,0.043919266480078385,E0,fcc,15.012377 +2,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,11.0,1.0,0.120849588974132,0.120849588974132,E0,fcc,15.023921 +3,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,13.0,1.0,0.003795659806925596,-0.003795659806925596,E0,fcc,15.005217000000002 +4,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,15.0,1.0,0.005255096798115554,-0.005255096798115554,E0,fcc,15.004998 +5,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,17.0,1.0,0.0021487136913922408,0.0021487136913922408,E0,fcc,15.006109 +6,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,19.0,1.0,0.0119582627828005,0.0119582627828005,E0,fcc,15.007581 +7,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,21.0,1.0,0.004114621967192824,0.004114621967192824,E0,fcc,15.006404000000002 +8,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,23.0,1.0,0.006714533789293677,-0.006714533789293677,E0,fcc,15.004779 +9,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,25.0,1.0,0.0022886597042352077,0.0022886597042352077,E0,fcc,15.00613 +10,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,27.0,1.0,0.0024685902921964585,0.0024685902921964585,E0,fcc,15.006157 +11,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,29.0,1.0,0.0008901140162715024,-0.0008901140162715024,E0,fcc,15.005653 +12,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,31.0,1.0,0.00022278999070994194,0.00022278999070994194,E0,fcc,15.005820000000002 +13,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,33.0,1.0,0.0007959022338076338,0.0007959022338076338,E0,fcc,15.005906 +14,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,35.0,1.0,0.00039030682751787154,-0.00039030682751787154,E0,fcc,15.005728 +15,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,37.0,1.0,3.6195306903535715e-05,3.6195306903535715e-05,E0,fcc,15.005792 +16,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,39.0,1.0,0.0001761413197465026,0.0001761413197465026,E0,fcc,15.005813 +17,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,41.0,1.0,0.000382728291100213,0.000382728291100213,E0,fcc,15.005844 +18,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,43.0,1.0,6.376613086849845e-05,-6.376613086849845e-05,E0,fcc,15.005776999999998 +19,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,45.0,1.0,0.00040363501920818236,-0.00040363501920818236,E0,fcc,15.005726 +20,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,47.0,1.0,0.0007292612753087278,0.0007292612753087278,E0,fcc,15.005896 +21,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,49.0,1.0,3.0445651607207794e-05,-3.0445651607207794e-05,E0,fcc,15.005782 +22,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,51.0,1.0,0.0002570249105082223,-0.0002570249105082223,E0,fcc,15.005748 +23,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,53.0,1.0,0.00031608733260130717,0.00031608733260130717,E0,fcc,15.005834 +24,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,55.0,1.0,4.2859402736853365e-05,4.2859402736853365e-05,E0,fcc,15.005793 +25,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,57.0,1.0,1.711745990505909e-05,-1.711745990505909e-05,E0,fcc,15.005784 +26,Tetra,allKp,DMol3,Ir,LDA,15.0057865686095,1.62409796838383e-05,59.0,1.0,5.618759445083987e-05,5.618759445083987e-05,E0,fcc,15.005795 +0,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,7.0,1.0,0.14379463803701362,-0.14379463803701362,v0,fcc,13.9769 +1,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,9.0,1.0,0.029813657815122494,0.029813657815122494,v0,fcc,14.0012 +2,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,11.0,1.0,0.11054508757351207,0.11054508757351207,v0,fcc,14.0125 +3,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,13.0,1.0,0.005522785144446615,0.005522785144446615,v0,fcc,13.9978 +4,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,15.0,1.0,0.013767025505783684,-0.013767025505783684,v0,fcc,13.9951 +5,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,17.0,1.0,0.014481462937284976,-0.014481462937284976,v0,fcc,13.995 +6,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,19.0,1.0,0.01481047175382381,0.01481047175382381,v0,fcc,13.9991 +7,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,21.0,1.0,0.004093910281469412,0.004093910281469412,v0,fcc,13.9976 +8,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,23.0,1.0,0.00376490146493058,-0.00376490146493058,v0,fcc,13.9965 +9,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,25.0,1.0,0.00376490146493058,-0.00376490146493058,v0,fcc,13.9965 +10,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,27.0,1.0,0.000521723124013717,0.000521723124013717,v0,fcc,13.9971 +11,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,29.0,1.0,0.000521723124013717,0.000521723124013717,v0,fcc,13.9971 +12,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,31.0,1.0,0.000521723124013717,0.000521723124013717,v0,fcc,13.9971 +13,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,33.0,1.0,0.000521723124013717,0.000521723124013717,v0,fcc,13.9971 +14,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,35.0,1.0,0.001236160555502318,0.001236160555502318,v0,fcc,13.9972 +15,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,37.0,1.0,0.00019271430747488382,-0.00019271430747488382,v0,fcc,13.997 +16,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,39.0,1.0,0.0009071517389634847,-0.0009071517389634847,v0,fcc,13.9969 +17,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,41.0,1.0,0.003379472849980811,0.003379472849980811,v0,fcc,13.9975 +18,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,43.0,1.0,0.00019271430747488382,-0.00019271430747488382,v0,fcc,13.997 +19,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,45.0,1.0,0.00019271430747488382,-0.00019271430747488382,v0,fcc,13.997 +20,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,47.0,1.0,0.001236160555502318,0.001236160555502318,v0,fcc,13.9972 +21,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,49.0,1.0,0.00019271430747488382,-0.00019271430747488382,v0,fcc,13.997 +22,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,51.0,1.0,0.000521723124013717,0.000521723124013717,v0,fcc,13.9971 +23,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,53.0,1.0,0.00019271430747488382,-0.00019271430747488382,v0,fcc,13.997 +24,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,55.0,1.0,0.000521723124013717,0.000521723124013717,v0,fcc,13.9971 +25,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,57.0,1.0,0.000521723124013717,0.000521723124013717,v0,fcc,13.9971 +26,Tetra,allKp,DMol3,Ir,LDA,13.9970269742736,3.64359310534018e-05,59.0,1.0,0.00019271430747488382,-0.00019271430747488382,v0,fcc,13.997 +0,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,7.0,1.0,1.9431612224576245,1.9431612224576245,dB,fcc,5.292738 +1,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,9.0,1.0,0.2388925258539297,-0.2388925258539297,dB,fcc,5.179449 +2,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,11.0,1.0,0.6967638258465376,-0.6967638258465376,dB,fcc,5.155677 +3,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,13.0,1.0,0.039601548123576816,0.039601548123576816,dB,fcc,5.193908 +4,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,15.0,1.0,0.017564951051002115,-0.017564951051002115,dB,fcc,5.19094 +5,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,17.0,1.0,0.08865918740849604,0.08865918740849604,dB,fcc,5.196455 +6,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,19.0,1.0,0.046477707222408834,0.046477707222408834,dB,fcc,5.1942650000000015 +7,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,21.0,1.0,0.03416788982745734,-0.03416788982745734,dB,fcc,5.190078 +8,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,23.0,1.0,0.06475427819983755,-0.06475427819983755,dB,fcc,5.18849 +9,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,25.0,1.0,0.06356216974524531,0.06356216974524531,dB,fcc,5.195151999999998 +10,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,27.0,1.0,0.03347656606915704,0.03347656606915704,dB,fcc,5.19359 +11,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,29.0,1.0,0.002774611997620701,0.002774611997620701,dB,fcc,5.191996 +12,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,31.0,1.0,0.01190223179315555,-0.01190223179315555,dB,fcc,5.191234 +13,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,33.0,1.0,0.016257276897287967,0.016257276897287967,dB,fcc,5.192696 +14,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,35.0,1.0,0.017815343399156632,-0.017815343399156632,dB,fcc,5.1909269999999985 +15,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,37.0,1.0,0.008781957916367591,-0.008781957916367591,dB,fcc,5.191396 +16,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,39.0,1.0,0.01957016027263526,0.01957016027263526,dB,fcc,5.192868 +17,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,41.0,1.0,0.0414100069735658,-0.0414100069735658,dB,fcc,5.189702 +18,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,43.0,1.0,0.0024471758500629747,0.0024471758500629747,dB,fcc,5.191979 +19,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,45.0,1.0,0.007684083774538275,-0.007684083774538275,dB,fcc,5.191453 +20,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,47.0,1.0,0.0186648956293824,0.0186648956293824,dB,fcc,5.192821 +21,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,49.0,1.0,0.005952668723986728,0.005952668723986728,dB,fcc,5.1921610000000005 +22,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,51.0,1.0,0.0232661922085845,-0.0232661922085845,dB,fcc,5.190644 +23,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,53.0,1.0,0.01660397399470505,0.01660397399470505,dB,fcc,5.192714 +24,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,55.0,1.0,0.00916924735003725,0.00916924735003725,dB,fcc,5.192328 +25,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,57.0,1.0,0.010592487202907534,-0.010592487202907534,dB,fcc,5.1913019999999985 +26,Tetra,allKp,DMol3,Ir,LDA,5.191851946253,0.000310193788045952,59.0,1.0,0.0004055151652620825,0.0004055151652620825,dB,fcc,5.191873 +0,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,7.0,1.0,2.5250428323834373,-2.5250428323834373,B,bcc,314.210594 +1,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,9.0,1.0,0.2725945193335933,0.2725945193335933,B,bcc,323.22878 +2,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,11.0,1.0,0.12478432862088272,-0.12478432862088272,B,bcc,321.947829 +3,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,13.0,1.0,0.2770766030317619,0.2770766030317619,B,bcc,323.243228 +4,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,15.0,1.0,0.13951528712693553,0.13951528712693553,B,bcc,322.799799 +5,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,17.0,1.0,0.1808721089741811,-0.1808721089741811,B,bcc,321.76703 +6,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,19.0,1.0,0.21056289044371146,0.21056289044371146,B,bcc,323.028821 +7,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,21.0,1.0,0.10568893964270087,-0.10568893964270087,B,bcc,322.009383 +8,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,23.0,1.0,0.020036717254624747,-0.020036717254624747,B,bcc,322.285483 +9,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,25.0,1.0,0.07474036739105977,0.07474036739105977,B,bcc,322.590997 +10,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,27.0,1.0,0.058555709811809235,-0.058555709811809235,B,bcc,322.161317 +11,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,29.0,1.0,0.08134809045105912,0.08134809045105912,B,bcc,322.612297 +12,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,31.0,1.0,0.08558098690548263,-0.08558098690548263,B,bcc,322.074201 +13,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,33.0,1.0,0.012453426009227315,0.012453426009227315,B,bcc,322.390215 +14,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,35.0,1.0,0.028632730632282957,0.028632730632282957,B,bcc,322.442369 +15,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,37.0,1.0,0.04777147146745325,-0.04777147146745325,B,bcc,322.19608 +16,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,39.0,1.0,0.04483654277279984,0.04483654277279984,B,bcc,322.494602 +17,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,41.0,1.0,0.038141568217283164,-0.038141568217283164,B,bcc,322.227122 +18,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,43.0,1.0,0.014027801339243641,0.014027801339243641,B,bcc,322.39529 +19,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,45.0,1.0,0.0059821213281825315,-0.0059821213281825315,B,bcc,322.330788 +20,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,47.0,1.0,0.018287376863284625,-0.018287376863284625,B,bcc,322.2911220000001 +21,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,49.0,1.0,0.019078831708409582,0.019078831708409582,B,bcc,322.4115720000001 +22,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,51.0,1.0,0.02771625642600933,-0.02771625642600933,B,bcc,322.260728 +23,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,53.0,1.0,0.012265741856581849,0.012265741856581849,B,bcc,322.38961 +24,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,55.0,1.0,0.006500812077300922,-0.006500812077300922,B,bcc,322.329116 +25,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,57.0,1.0,0.015954509379208358,-0.015954509379208358,B,bcc,322.298642 +26,Tetra,allKp,DMol3,Mn,LDA,322.35007137237096,0.0247116725955953,59.0,1.0,0.009530826997561907,0.009530826997561907,B,bcc,322.380794 +0,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,7.0,1.0,0.18843089253806886,0.18843089253806886,E0,bcc,12.904748 +1,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,9.0,1.0,0.03131714835861822,0.03131714835861822,E0,bcc,12.884511 +2,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,11.0,1.0,0.0025915045643793307,0.0025915045643793307,E0,bcc,12.880811 +3,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,13.0,1.0,0.002156738063717984,0.002156738063717984,E0,bcc,12.880755 +4,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,15.0,1.0,0.0028663677565231626,-0.0028663677565231626,E0,bcc,12.880108 +5,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,17.0,1.0,0.011077215014940332,0.011077215014940332,E0,bcc,12.881904 +6,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,19.0,1.0,0.003580627007626407,-0.003580627007626407,E0,bcc,12.880016 +7,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,21.0,1.0,0.006201619257440072,0.006201619257440072,E0,bcc,12.881276 +8,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,23.0,1.0,0.0018927726883159602,0.0018927726883159602,E0,bcc,12.880721 +9,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,25.0,1.0,0.0002189503149416087,-0.0002189503149416087,E0,bcc,12.880449 +10,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,27.0,1.0,0.002902052064859602,0.002902052064859602,E0,bcc,12.880851 +11,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,29.0,1.0,0.0007391173782395119,-0.0007391173782395119,E0,bcc,12.880382 +12,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,31.0,1.0,0.0016986805005106188,0.0016986805005106188,E0,bcc,12.880696 +13,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,33.0,1.0,0.00044872681108338897,0.00044872681108338897,E0,bcc,12.880535 +14,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,35.0,1.0,0.00020805249821359242,0.00020805249821359242,E0,bcc,12.880504 +15,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,37.0,1.0,0.0008834933117585267,0.0008834933117585267,E0,bcc,12.880591 +16,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,39.0,1.0,8.696762724059648e-05,-8.696762724059648e-05,E0,bcc,12.880466 +17,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,41.0,1.0,0.0006505826863948755,0.0006505826863948755,E0,bcc,12.880561 +18,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,43.0,1.0,5.2778747966561295e-05,5.2778747966561295e-05,E0,bcc,12.880484 +19,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,45.0,1.0,0.0002779256858240668,0.0002779256858240668,E0,bcc,12.880513 +20,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,47.0,1.0,0.0003245078108885224,0.0003245078108885224,E0,bcc,12.880519 +21,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,49.0,1.0,1.567064604039835e-06,-1.567064604039835e-06,E0,bcc,12.880477 +22,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,51.0,1.0,0.000371089935966769,0.000371089935966769,E0,bcc,12.880525 +23,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,53.0,1.0,3.7251372954270175e-05,3.7251372954270175e-05,E0,bcc,12.880482 +24,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,55.0,1.0,0.00013817931060311793,0.00013817931060311793,E0,bcc,12.880495 +25,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,57.0,1.0,0.00019252512318751016,0.00019252512318751016,E0,bcc,12.880502 +26,Tetra,allKp,DMol3,Mn,LDA,12.8804772018454,8.489024276037621e-06,59.0,1.0,6.054243548649795e-05,6.054243548649795e-05,E0,bcc,12.880485 +0,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,7.0,1.0,0.2607692159948453,0.2607692159948453,v0,bcc,10.1436 +1,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,9.0,1.0,0.06540742584116738,-0.06540742584116738,v0,bcc,10.1106 +2,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,11.0,1.0,0.019596183849426237,0.019596183849426237,v0,bcc,10.1192 +3,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,13.0,1.0,0.06837266803966971,-0.06837266803966971,v0,bcc,10.1103 +4,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,15.0,1.0,0.02157301198177869,0.02157301198177869,v0,bcc,10.1194 +5,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,17.0,1.0,0.009067824069482413,-0.009067824069482413,v0,bcc,10.1163 +6,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,19.0,1.0,0.005114167804812622,-0.005114167804812622,v0,bcc,10.1167 +7,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,21.0,1.0,0.03244556670963816,0.03244556670963816,v0,bcc,10.1205 +8,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,23.0,1.0,0.01697513659883955,-0.01697513659883955,v0,bcc,10.1155 +9,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,25.0,1.0,0.008723629121566757,0.008723629121566757,v0,bcc,10.1181 +10,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,27.0,1.0,0.007090995937147516,-0.007090995937147516,v0,bcc,10.1165 +11,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,29.0,1.0,0.004125753738645175,-0.004125753738645175,v0,bcc,10.1168 +12,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,31.0,1.0,0.006746800989231861,0.006746800989231861,v0,bcc,10.1179 +13,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,33.0,1.0,0.00610258187098007,-0.00610258187098007,v0,bcc,10.1166 +14,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,35.0,1.0,0.004769972856879409,0.004769972856879409,v0,bcc,10.1177 +15,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,37.0,1.0,0.0031373396724777274,-0.0031373396724777274,v0,bcc,10.1169 +16,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,39.0,1.0,0.001160511540125275,-0.001160511540125275,v0,bcc,10.1171 +17,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,41.0,1.0,0.0008163165922096196,0.0008163165922096196,v0,bcc,10.1173 +18,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,43.0,1.0,0.0031373396724777274,-0.0031373396724777274,v0,bcc,10.1169 +19,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,45.0,1.0,0.0037815587907119616,0.0037815587907119616,v0,bcc,10.1176 +20,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,47.0,1.0,0.0031373396724777274,-0.0031373396724777274,v0,bcc,10.1169 +21,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,49.0,1.0,0.0008163165922096196,0.0008163165922096196,v0,bcc,10.1173 +22,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,51.0,1.0,0.0001720974739578277,-0.0001720974739578277,v0,bcc,10.1172 +23,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,53.0,1.0,0.0021489256062927225,-0.0021489256062927225,v0,bcc,10.117 +24,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,55.0,1.0,0.001804730658377067,0.001804730658377067,v0,bcc,10.1174 +25,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,57.0,1.0,0.0021489256062927225,-0.0021489256062927225,v0,bcc,10.117 +26,Tetra,allKp,DMol3,Mn,LDA,10.1172174114756,8.9734200660578e-05,59.0,1.0,0.0008163165922096196,0.0008163165922096196,v0,bcc,10.1173 +0,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,7.0,1.0,1.2910708304652254,-1.2910708304652254,dB,bcc,5.243159 +1,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,9.0,1.0,0.4219766438913488,-0.4219766438913488,dB,bcc,5.289323 +2,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,11.0,1.0,0.7216714354187177,-0.7216714354187177,dB,bcc,5.273404 +3,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,13.0,1.0,0.5021842720761515,0.5021842720761515,dB,bcc,5.338412 +4,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,15.0,1.0,0.025627975882968942,-0.025627975882968942,dB,bcc,5.310376 +5,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,17.0,1.0,0.7354412899179767,0.7354412899179767,dB,bcc,5.350802 +6,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,19.0,1.0,0.1366650938192997,-0.1366650938192997,dB,bcc,5.304478 +7,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,21.0,1.0,0.5066946891123546,-0.5066946891123546,dB,bcc,5.284823 +8,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,23.0,1.0,0.23170779303389705,0.23170779303389705,dB,bcc,5.324045 +9,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,25.0,1.0,0.1442520654246376,-0.1442520654246376,dB,bcc,5.304075 +10,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,27.0,1.0,0.2366402658889904,0.2366402658889904,dB,bcc,5.324307 +11,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,29.0,1.0,0.01063134747162193,0.01063134747162193,dB,bcc,5.312302 +12,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,31.0,1.0,0.09086087070312933,-0.09086087070312933,dB,bcc,5.306911 +13,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,33.0,1.0,0.09779680288789204,0.09779680288789204,dB,bcc,5.316932 +14,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,35.0,1.0,0.11042132603305384,-0.11042132603305384,dB,bcc,5.305872 +15,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,37.0,1.0,0.12099072104619026,0.12099072104619026,dB,bcc,5.318164 +16,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,39.0,1.0,0.013154062595982152,0.013154062595982152,dB,bcc,5.312436 +17,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,41.0,1.0,0.002667851220854881,0.002667851220854881,dB,bcc,5.311879 +18,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,43.0,1.0,0.07680555390536355,0.07680555390536355,dB,bcc,5.315817 +19,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,45.0,1.0,0.14528750819957192,-0.14528750819957192,dB,bcc,5.30402 +20,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,47.0,1.0,0.11148347374915868,0.11148347374915868,dB,bcc,5.317659 +21,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,49.0,1.0,0.007573619134761005,-0.007573619134761005,dB,bcc,5.311335 +22,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,51.0,1.0,0.011214960672031251,0.011214960672031251,dB,bcc,5.312333 +23,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,53.0,1.0,0.07735151464122494,0.07735151464122494,dB,bcc,5.315846 +24,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,55.0,1.0,0.05974110875862874,-0.05974110875862874,dB,bcc,5.308564 +25,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,57.0,1.0,0.0992275965405295,0.0992275965405295,dB,bcc,5.317008 +26,Tetra,allKp,DMol3,Mn,LDA,5.31173729075184,0.001837338558022789,59.0,1.0,0.046148569058715186,-0.046148569058715186,dB,bcc,5.309286 +0,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,7.0,1.0,0.24223156929635564,-0.24223156929635564,B,bcc,288.249642 +1,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,9.0,1.0,0.5217231952190055,0.5217231952190055,B,bcc,290.457086 +2,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,11.0,1.0,0.2768538739151392,-0.2768538739151392,B,bcc,288.149601 +3,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,13.0,1.0,0.02122656761288514,-0.02122656761288514,B,bcc,288.888235 +4,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,15.0,1.0,0.06885385743591019,0.06885385743591019,B,bcc,289.148522 +5,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,17.0,1.0,0.04110962201016341,-0.04110962201016341,B,bcc,288.830783 +6,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,19.0,1.0,0.02644576512000174,0.02644576512000174,B,bcc,289.025984 +7,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,21.0,1.0,7.47797090366881e-05,-7.47797090366881e-05,B,bcc,288.949353 +8,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,23.0,1.0,0.05438979409096434,-0.05438979409096434,B,bcc,288.79241 +9,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,25.0,1.0,0.0011545529061202018,-0.0011545529061202018,B,bcc,288.946233 +10,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,27.0,1.0,0.004729917296888061,-0.004729917296888061,B,bcc,288.935902 +11,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,29.0,1.0,0.01049182241178053,-0.01049182241178053,B,bcc,288.919253 +12,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,31.0,1.0,0.004676620799336,-0.004676620799336,B,bcc,288.936056 +13,Tetra,allKp,DMol3,Mo,LDA,288.949569075647,0.00439837126460611,33.0,1.0,0.004980133970443407,-0.004980133970443407,B,bcc,288.935179 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+3,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,13.0,1.0,0.4706141693879837,0.4706141693879837,dB,bcc,4.096442 +4,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,15.0,1.0,0.23817831151833946,0.23817831151833946,dB,bcc,4.086965 +5,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,17.0,1.0,0.38525601064994797,-0.38525601064994797,dB,bcc,4.061546 +6,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,19.0,1.0,0.26584399134073816,0.26584399134073816,dB,bcc,4.088093 +7,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,21.0,1.0,0.14919025861920118,-0.14919025861920118,dB,bcc,4.071171 +8,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,23.0,1.0,0.09021107182985906,0.09021107182985906,dB,bcc,4.080932 +9,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,25.0,1.0,0.10595696406920976,0.10595696406920976,dB,bcc,4.081574 +10,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,27.0,1.0,0.11146879091807846,-0.11146879091807846,dB,bcc,4.072709 +11,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,29.0,1.0,0.03110266015256436,0.03110266015256436,dB,bcc,4.078522 +12,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,31.0,1.0,0.0432365912142109,-0.0432365912142109,dB,bcc,4.075491 +13,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,33.0,1.0,0.0004872295737479392,-0.0004872295737479392,dB,bcc,4.077234 +14,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,35.0,1.0,0.020500700083563226,-0.020500700083563226,dB,bcc,4.076418 +15,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,37.0,1.0,0.017949963646049918,-0.017949963646049918,dB,bcc,4.076522 +16,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,39.0,1.0,0.04949739407703927,0.04949739407703927,dB,bcc,4.0792720000000005 +17,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,41.0,1.0,0.07992795381557159,-0.07992795381557159,dB,bcc,4.073995 +18,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,43.0,1.0,0.001296597866407234,-0.001296597866407234,dB,bcc,4.0772010000000005 +19,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,45.0,1.0,0.017662241231743266,0.017662241231743266,dB,bcc,4.077974 +20,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,47.0,1.0,0.046057117082632416,-0.046057117082632416,dB,bcc,4.075376 +21,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,49.0,1.0,0.0011739663069371654,-0.0011739663069371654,dB,bcc,4.0772059999999986 +22,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,51.0,1.0,0.018520662148208016,0.018520662148208016,dB,bcc,4.078009 +23,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,53.0,1.0,0.03909164450323817,-0.03909164450323817,dB,bcc,4.07566 +24,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,55.0,1.0,0.01701796379387699,-0.01701796379387699,dB,bcc,4.07656 +25,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,57.0,1.0,0.01322297877795959,0.01322297877795959,dB,bcc,4.077793 +26,Tetra,allKp,DMol3,Mo,LDA,4.07725386558663,0.000409978131127912,59.0,1.0,0.003626597496861344,-0.003626597496861344,dB,bcc,4.077106 +0,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,7.0,1.0,3.058488341018041,3.058488341018041,B,bcc,196.927763 +1,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,9.0,1.0,1.120564832649228,1.120564832649228,B,bcc,193.224711 +2,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,11.0,1.0,0.8084719846616325,-0.8084719846616325,B,bcc,189.53864 +3,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,13.0,1.0,0.5105085234946272,-0.5105085234946272,B,bcc,190.107999 +4,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,15.0,1.0,0.3334126433515651,-0.3334126433515651,B,bcc,190.4464 +5,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,17.0,1.0,0.0791259002228205,-0.0791259002228205,B,bcc,190.9323 +6,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,19.0,1.0,0.11754261403141393,-0.11754261403141393,B,bcc,190.858892 +7,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,21.0,1.0,0.055557145821608166,-0.055557145821608166,B,bcc,190.977336 +8,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,23.0,1.0,0.07590898190626963,-0.07590898190626963,B,bcc,190.938447 +9,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,25.0,1.0,0.040050312140507666,-0.040050312140507666,B,bcc,191.006967 +10,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,27.0,1.0,0.013692724534664084,-0.013692724534664084,B,bcc,191.057332 +11,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,29.0,1.0,0.02655882780657359,-0.02655882780657359,B,bcc,191.032747 +12,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,31.0,1.0,0.032833048352715916,-0.032833048352715916,B,bcc,191.020758 +13,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,33.0,1.0,0.010789281746272498,-0.010789281746272498,B,bcc,191.06288 +14,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,35.0,1.0,0.014504934918152006,-0.014504934918152006,B,bcc,191.05578 +15,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,37.0,1.0,0.004861506608552961,-0.004861506608552961,B,bcc,191.074207 +16,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,39.0,1.0,0.008149597999944186,-0.008149597999944186,B,bcc,191.067924 +17,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,41.0,1.0,0.01417785277273332,-0.01417785277273332,B,bcc,191.056405 +18,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,43.0,1.0,0.004344455153082911,-0.004344455153082911,B,bcc,191.075195 +19,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,45.0,1.0,0.010904937992895495,-0.010904937992895495,B,bcc,191.062659 +20,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,47.0,1.0,0.006990418876617018,-0.006990418876617018,B,bcc,191.070139 +21,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,49.0,1.0,0.00631950797994711,-0.00631950797994711,B,bcc,191.071421 +22,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,51.0,1.0,0.0063781211003907405,-0.0063781211003907405,B,bcc,191.071309 +23,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,53.0,1.0,0.00631950797994711,-0.00631950797994711,B,bcc,191.071421 +24,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,55.0,1.0,0.0029492535536128376,-0.0029492535536128376,B,bcc,191.077861 +25,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,57.0,1.0,0.004432898165202005,-0.004432898165202005,B,bcc,191.075026 +26,Tetra,allKp,DMol3,Nb,LDA,191.083496536812,0.00153571782796252,59.0,1.0,0.0022605493882328445,-0.0022605493882328445,B,bcc,191.079177 +0,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,7.0,2.0,1.251703633212406,-1.251703633212406,E0,bcc,5.542262 +1,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,9.0,2.0,0.3018084596889306,-0.3018084596889306,E0,bcc,5.595575 +2,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,11.0,2.0,0.12969307739500394,-0.12969307739500394,E0,bcc,5.605235 +3,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,13.0,2.0,0.0925439498501922,-0.0925439498501922,E0,bcc,5.60732 +4,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,15.0,2.0,0.0206510339541056,-0.0206510339541056,E0,bcc,5.6113550000000005 +5,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,17.0,2.0,0.02316327711181516,-0.02316327711181516,E0,bcc,5.611214 +6,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,19.0,2.0,0.0033147744332082184,-0.0033147744332082184,E0,bcc,5.612328 +7,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,21.0,2.0,0.0021388308274671135,-0.0021388308274671135,E0,bcc,5.612394 +8,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,23.0,2.0,0.0012301471321260302,-0.0012301471321260302,E0,bcc,5.612445 +9,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,25.0,2.0,0.00044468163967507023,0.00044468163967507023,E0,bcc,5.612539 +10,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,27.0,2.0,0.0005887233471849681,-0.0005887233471849681,E0,bcc,5.612481 +11,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,29.0,2.0,0.00046249896703718166,0.00046249896703718166,E0,bcc,5.61254 +12,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,31.0,2.0,0.0002665083660856059,0.0002665083660856059,E0,bcc,5.612529 +13,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,33.0,2.0,3.6386199022813624e-05,-3.6386199022813624e-05,E0,bcc,5.6125120000000015 +14,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,35.0,2.0,0.0002130563839992715,0.0002130563839992715,E0,bcc,5.612526 +15,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,37.0,2.0,1.7065783047695712e-05,1.7065783047695712e-05,E0,bcc,5.612515 +16,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,39.0,2.0,0.00012396974720453935,0.00012396974720453935,E0,bcc,5.612521 +17,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,41.0,2.0,0.00010615241984242792,0.00010615241984242792,E0,bcc,5.61252 +18,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,43.0,2.0,8.833509248031647e-05,8.833509248031647e-05,E0,bcc,5.612519 +19,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,45.0,2.0,0.00010615241984242792,0.00010615241984242792,E0,bcc,5.61252 +20,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,47.0,2.0,0.00012396974720453935,0.00012396974720453935,E0,bcc,5.612521 +21,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,49.0,2.0,8.833509248031647e-05,8.833509248031647e-05,E0,bcc,5.612519 +22,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,51.0,2.0,0.00012396974720453935,0.00012396974720453935,E0,bcc,5.612521 +23,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,53.0,2.0,8.833509248031647e-05,8.833509248031647e-05,E0,bcc,5.612519 +24,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,55.0,2.0,7.051776511820504e-05,7.051776511820504e-05,E0,bcc,5.612518 +25,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,57.0,2.0,7.051776511820504e-05,7.051776511820504e-05,E0,bcc,5.612518 +26,Tetra,allKp,DMol3,Nb,LDA,5.61251404218053,1.64646878179677e-06,59.0,2.0,7.051776511820504e-05,7.051776511820504e-05,E0,bcc,5.612518 +0,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,7.0,1.0,0.9548062328933724,-0.9548062328933724,v0,bcc,17.0715 +1,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,9.0,1.0,0.31893046117589474,-0.31893046117589474,v0,bcc,17.1811 +2,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,11.0,1.0,0.007954718803117985,-0.007954718803117985,v0,bcc,17.2347 +3,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,13.0,1.0,0.1646029472371736,-0.1646029472371736,v0,bcc,17.2077 +4,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,15.0,1.0,0.00016778193050108684,0.00016778193050108684,v0,bcc,17.2361 +5,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,17.0,1.0,0.03522311412311751,-0.03522311412311751,v0,bcc,17.23 +6,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,19.0,1.0,0.00016778193050108684,0.00016778193050108684,v0,bcc,17.2361 +7,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,21.0,1.0,0.006794361555461063,-0.006794361555461063,v0,bcc,17.2349 +8,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,23.0,1.0,0.009115076050774908,-0.009115076050774908,v0,bcc,17.2345 +9,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,25.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +10,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,27.0,1.0,0.0038934684363187548,-0.0038934684363187548,v0,bcc,17.2354 +11,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,29.0,1.0,0.00041239669332737456,-0.00041239669332737456,v0,bcc,17.236 +12,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,31.0,1.0,0.0038934684363187548,-0.0038934684363187548,v0,bcc,17.2354 +13,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,33.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +14,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,35.0,1.0,0.0015727539409842975,-0.0015727539409842975,v0,bcc,17.2358 +15,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,37.0,1.0,0.0015727539409842975,-0.0015727539409842975,v0,bcc,17.2358 +16,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,39.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +17,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,41.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +18,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,43.0,1.0,0.00041239669332737456,-0.00041239669332737456,v0,bcc,17.236 +19,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,45.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +20,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,47.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +21,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,49.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +22,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,51.0,1.0,0.00041239669332737456,-0.00041239669332737456,v0,bcc,17.236 +23,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,53.0,1.0,0.000992575317155836,-0.000992575317155836,v0,bcc,17.2359 +24,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,55.0,1.0,0.00016778193050108684,0.00016778193050108684,v0,bcc,17.2361 +25,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,57.0,1.0,0.00041239669332737456,-0.00041239669332737456,v0,bcc,17.236 +26,Tetra,allKp,DMol3,Nb,LDA,17.236071080987198,2.9352240542261402e-05,59.0,1.0,0.00041239669332737456,-0.00041239669332737456,v0,bcc,17.236 +0,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,7.0,1.0,20.408542121011575,20.408542121011575,dB,bcc,3.851225 +1,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,9.0,1.0,6.367181376084102,6.367181376084102,dB,bcc,3.402117 +2,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,11.0,1.0,6.693740294945357,-6.693740294945357,dB,bcc,2.984368 +3,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,13.0,1.0,1.2807413730764623,1.2807413730764623,dB,bcc,3.239429 +4,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,15.0,1.0,2.2114963792835547,-2.2114963792835547,dB,bcc,3.1277310000000003 +5,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,17.0,1.0,0.6382729423285266,-0.6382729423285266,dB,bcc,3.17805 +6,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,19.0,1.0,0.8606608734690719,-0.8606608734690719,dB,bcc,3.170937 +7,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,21.0,1.0,0.4646584081483716,-0.4646584081483716,dB,bcc,3.183603 +8,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,23.0,1.0,0.09276524211240346,0.09276524211240346,dB,bcc,3.201432 +9,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,25.0,1.0,0.3102093177737911,-0.3102093177737911,dB,bcc,3.188543 +10,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,27.0,1.0,0.07781658725675948,-0.07781658725675948,dB,bcc,3.195976 +11,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,29.0,1.0,0.17964668591060146,-0.17964668591060146,dB,bcc,3.192719 +12,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,31.0,1.0,0.04458588011499209,0.04458588011499209,dB,bcc,3.199891 +13,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,33.0,1.0,0.0760970123639209,-0.0760970123639209,dB,bcc,3.196031 +14,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,35.0,1.0,0.09763859602143847,-0.09763859602143847,dB,bcc,3.195342 +15,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,37.0,1.0,0.03045011520869049,-0.03045011520869049,dB,bcc,3.197491 +16,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,39.0,1.0,0.013223101282304259,-0.013223101282304259,dB,bcc,3.198042 +17,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,41.0,1.0,0.026792110436649773,-0.026792110436649773,dB,bcc,3.197608 +18,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,43.0,1.0,0.06177764325631702,-0.06177764325631702,dB,bcc,3.196489 +19,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,45.0,1.0,0.018381825960792245,-0.018381825960792245,dB,bcc,3.197877 +20,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,47.0,1.0,0.028793070311963712,-0.028793070311963712,dB,bcc,3.197544 +21,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,49.0,1.0,0.0161347318881059,0.0161347318881059,dB,bcc,3.1989810000000003 +22,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,51.0,1.0,0.03557757488913646,-0.03557757488913646,dB,bcc,3.197327 +23,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,53.0,1.0,0.0161347318881059,0.0161347318881059,dB,bcc,3.1989810000000003 +24,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,55.0,1.0,0.05327356378630568,-0.05327356378630568,dB,bcc,3.196761 +25,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,57.0,1.0,0.008474807365478959,0.008474807365478959,dB,bcc,3.198736 +26,Tetra,allKp,DMol3,Nb,LDA,3.198464936258,0.000385663076453112,59.0,1.0,0.015818096120569263,-0.015818096120569263,dB,bcc,3.197959 +0,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,7.0,1.0,3.999024685282209,-3.999024685282209,B,fcc,236.758882 +1,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,9.0,1.0,0.2928709127167557,0.2928709127167557,B,fcc,247.343612 +2,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,11.0,1.0,0.20019969075493407,0.20019969075493407,B,fcc,247.115065 +3,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,13.0,1.0,0.16935483234667958,0.16935483234667958,B,fcc,247.03899500000003 +4,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,15.0,1.0,0.23684818342635325,0.23684818342635325,B,fcc,247.205448 +5,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,17.0,1.0,0.20864178293398836,0.20864178293398836,B,fcc,247.135885 +6,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,19.0,1.0,0.19816366271353988,-0.19816366271353988,B,fcc,246.132616 +7,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,21.0,1.0,0.12601175269796688,-0.12601175269796688,B,fcc,246.310558 +8,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,23.0,1.0,0.002957221794296372,0.002957221794296372,B,fcc,246.628623 +9,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,25.0,1.0,0.06973327887470482,0.06973327887470482,B,fcc,246.793307 +10,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,27.0,1.0,0.09630883908158344,0.09630883908158344,B,fcc,246.858848 +11,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,29.0,1.0,0.034828349909836666,0.034828349909836666,B,fcc,246.707224 +12,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,31.0,1.0,0.03999080709679969,-0.03999080709679969,B,fcc,246.522704 +13,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,33.0,1.0,0.042010908116774916,-0.042010908116774916,B,fcc,246.517722 +14,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,35.0,1.0,0.027941565444894588,-0.027941565444894588,B,fcc,246.55242 +15,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,37.0,1.0,0.04232243000844285,0.04232243000844285,B,fcc,246.725706 +16,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,39.0,1.0,0.031993639706956706,0.031993639706956706,B,fcc,246.700233 +17,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,41.0,1.0,0.018309097490304252,0.018309097490304252,B,fcc,246.666484 +18,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,43.0,1.0,0.021406850864808383,-0.021406850864808383,B,fcc,246.568536 +19,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,45.0,1.0,0.0153708766007609,-0.0153708766007609,B,fcc,246.583422 +20,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,47.0,1.0,0.0005363932976743264,-0.0005363932976743264,B,fcc,246.620007 +21,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,49.0,1.0,0.014930638698959631,0.014930638698959631,B,fcc,246.658152 +22,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,51.0,1.0,0.009125382516083505,0.009125382516083505,B,fcc,246.643835 +23,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,53.0,1.0,0.003956616521976016,-0.003956616521976016,B,fcc,246.611572 +24,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,55.0,1.0,0.0016315945933220268,-0.0016315945933220268,B,fcc,246.617306 +25,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,57.0,1.0,0.0014155870937774347,0.0014155870937774347,B,fcc,246.624821 +26,Tetra,allKp,DMol3,Ni,LDA,246.621329860284,0.009525198014742909,59.0,1.0,0.0014155870937774347,0.0014155870937774347,B,fcc,246.624821 +0,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,7.0,1.0,0.009053532365391465,0.009053532365391465,E0,fcc,16.705384 +1,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,9.0,1.0,0.028350969468876788,-0.028350969468876788,E0,fcc,16.699136 +2,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,11.0,1.0,0.013369896933646786,0.013369896933646786,E0,fcc,16.706104999999994 +3,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,13.0,1.0,0.006970183031478899,0.006970183031478899,E0,fcc,16.705036 +4,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,15.0,1.0,0.0027581004961645932,-0.0027581004961645932,E0,fcc,16.703411 +5,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,17.0,1.0,0.0016924792851262937,-0.0016924792851262937,E0,fcc,16.703589 +6,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,19.0,1.0,0.0037972659424566494,0.0037972659424566494,E0,fcc,16.704506 +7,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,21.0,1.0,0.001103279734819526,0.001103279734819526,E0,fcc,16.704056 +8,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,23.0,1.0,0.0005550184418951131,-0.0005550184418951131,E0,fcc,16.703779 +9,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,25.0,1.0,3.418110841165461e-05,-3.418110841165461e-05,E0,fcc,16.703866 +10,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,27.0,1.0,1.6221200363434495e-05,-1.6221200363434495e-05,E0,fcc,16.703869 +11,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,29.0,1.0,7.010092452936364e-05,-7.010092452936364e-05,E0,fcc,16.70386 +12,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,31.0,1.0,0.00037889677676121436,0.00037889677676121436,E0,fcc,16.703935 +13,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,33.0,1.0,0.0004986294970968612,0.0004986294970968612,E0,fcc,16.703955 +14,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,35.0,1.0,3.765852378122584e-05,3.765852378122584e-05,E0,fcc,16.703878 +15,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,37.0,1.0,0.00015990046477046418,-0.00015990046477046418,E0,fcc,16.703845 +16,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,39.0,1.0,7.956497590082903e-05,7.956497590082903e-05,E0,fcc,16.703885 +17,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,41.0,1.0,9.752488394904915e-05,9.752488394904915e-05,E0,fcc,16.703888 +18,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,43.0,1.0,4.963179580628298e-05,4.963179580628298e-05,E0,fcc,16.703879999999998 +19,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,45.0,1.0,8.55516119027232e-05,8.55516119027232e-05,E0,fcc,16.703885999999994 +20,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,47.0,1.0,0.00011548479199726926,0.00011548479199726926,E0,fcc,16.703891 +21,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,49.0,1.0,4.247928338377356e-06,-4.247928338377356e-06,E0,fcc,16.703871 +22,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,51.0,1.0,1.0234564340271524e-05,-1.0234564340271524e-05,E0,fcc,16.703870000000002 +23,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,53.0,1.0,4.364515980438882e-05,4.364515980438882e-05,E0,fcc,16.703879 +24,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,55.0,1.0,6.759170385450311e-05,6.759170385450311e-05,E0,fcc,16.703882999999998 +25,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,57.0,1.0,1.3711979709842756e-05,1.3711979709842756e-05,E0,fcc,16.703874 +26,Tetra,allKp,DMol3,Ni,LDA,16.7038717095685,3.33421306620103e-06,59.0,1.0,1.3711979709842756e-05,1.3711979709842756e-05,E0,fcc,16.703874 +0,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,7.0,1.0,0.023537776525307096,0.023537776525307096,v0,fcc,10.1337 +1,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,9.0,1.0,0.20841631109798914,-0.20841631109798914,v0,fcc,10.1102 +2,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,11.0,1.0,0.05739939447515403,-0.05739939447515403,v0,fcc,10.1255 +3,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,13.0,1.0,0.015943770304188268,-0.015943770304188268,v0,fcc,10.1297 +4,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,15.0,1.0,0.014956731633453076,-0.014956731633453076,v0,fcc,10.1298 +5,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,17.0,1.0,0.03439520190342928,0.03439520190342928,v0,fcc,10.1348 +6,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,19.0,1.0,0.0274859312082654,0.0274859312082654,v0,fcc,10.1341 +7,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,21.0,1.0,0.003797003110568179,0.003797003110568179,v0,fcc,10.1317 +8,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,23.0,1.0,0.013969692962717887,-0.013969692962717887,v0,fcc,10.1299 +9,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,25.0,1.0,0.008047460938289197,-0.008047460938289197,v0,fcc,10.1305 +10,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,27.0,1.0,0.002125228913860509,-0.002125228913860509,v0,fcc,10.1311 +11,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,29.0,1.0,0.00971923513499687,0.00971923513499687,v0,fcc,10.1323 +12,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,31.0,1.0,0.003797003110568179,0.003797003110568179,v0,fcc,10.1317 +13,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,33.0,1.0,0.0008358870983450683,0.0008358870983450683,v0,fcc,10.1314 +14,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,35.0,1.0,0.003112267584595702,-0.003112267584595702,v0,fcc,10.131 +15,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,37.0,1.0,0.002125228913860509,-0.002125228913860509,v0,fcc,10.1311 +16,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,39.0,1.0,0.0018229257690977945,0.0018229257690977945,v0,fcc,10.1315 +17,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,41.0,1.0,0.002809964439832987,0.002809964439832987,v0,fcc,10.1316 +18,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,43.0,1.0,0.0018229257690977945,0.0018229257690977945,v0,fcc,10.1315 +19,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,45.0,1.0,0.0011381902431253164,-0.0011381902431253164,v0,fcc,10.1312 +20,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,47.0,1.0,0.0011381902431253164,-0.0011381902431253164,v0,fcc,10.1312 +21,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,49.0,1.0,0.00015115157239012407,-0.00015115157239012407,v0,fcc,10.1313 +22,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,51.0,1.0,0.0018229257690977945,0.0018229257690977945,v0,fcc,10.1315 +23,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,53.0,1.0,0.0008358870983450683,0.0008358870983450683,v0,fcc,10.1314 +24,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,55.0,1.0,0.0008358870983450683,0.0008358870983450683,v0,fcc,10.1314 +25,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,57.0,1.0,0.00015115157239012407,-0.00015115157239012407,v0,fcc,10.1313 +26,Tetra,allKp,DMol3,Ni,LDA,10.1313153136424,4.2833630546728994e-05,59.0,1.0,0.00015115157239012407,-0.00015115157239012407,v0,fcc,10.1313 +0,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,7.0,1.0,7.04928449022897,7.04928449022897,dB,fcc,5.066328 +1,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,9.0,1.0,1.4594169746518149,1.4594169746518149,dB,fcc,4.801776 +2,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,11.0,1.0,0.4139051866544473,0.4139051866544473,dB,fcc,4.752294999999998 +3,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,13.0,1.0,0.09956071362367072,0.09956071362367072,dB,fcc,4.737418 +4,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,15.0,1.0,0.08538277846177326,0.08538277846177326,dB,fcc,4.736747 +5,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,17.0,1.0,1.1913497911700437,-1.1913497911700437,dB,fcc,4.676323 +6,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,19.0,1.0,0.5896221644327463,-0.5896221644327463,dB,fcc,4.704801 +7,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,21.0,1.0,0.1739790260532278,0.1739790260532278,dB,fcc,4.74094 +8,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,23.0,1.0,0.4889362563413849,0.4889362563413849,dB,fcc,4.755846 +9,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,25.0,1.0,0.1412704662460196,0.1412704662460196,dB,fcc,4.739392 +10,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,27.0,1.0,0.18773437000316195,0.18773437000316195,dB,fcc,4.7415910000000006 +11,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,29.0,1.0,0.5032022615829703,-0.5032022615829703,dB,fcc,4.708891 +12,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,31.0,1.0,0.21571346007347764,-0.21571346007347764,dB,fcc,4.722497 +13,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,33.0,1.0,0.0022415093421431454,-0.0022415093421431454,dB,fcc,4.7326 +14,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,35.0,1.0,0.2135758226156852,0.2135758226156852,dB,fcc,4.742814 +15,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,37.0,1.0,0.1382911982015809,0.1382911982015809,dB,fcc,4.739251 +16,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,39.0,1.0,0.16753806190784276,-0.16753806190784276,dB,fcc,4.724777 +17,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,41.0,1.0,0.2244188390402479,-0.2244188390402479,dB,fcc,4.722085 +18,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,43.0,1.0,0.12031349396914405,-0.12031349396914405,dB,fcc,4.727012 +19,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,45.0,1.0,0.05787209056190496,0.05787209056190496,dB,fcc,4.735445 +20,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,47.0,1.0,0.06970464449734612,0.06970464449734612,dB,fcc,4.7360050000000005 +21,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,49.0,1.0,0.04498305859653682,0.04498305859653682,dB,fcc,4.734835 +22,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,51.0,1.0,0.12003880968135662,-0.12003880968135662,dB,fcc,4.727025 +23,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,53.0,1.0,0.06115072429205085,-0.06115072429205085,dB,fcc,4.729812 +24,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,55.0,1.0,0.09567642631076116,-0.09567642631076116,dB,fcc,4.728178 +25,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,57.0,1.0,0.017324463772511383,0.017324463772511383,dB,fcc,4.733526 +26,Tetra,allKp,DMol3,Ni,LDA,4.73270608404901,0.0015237623132246,59.0,1.0,0.017324463772511383,0.017324463772511383,dB,fcc,4.733526 +0,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,7.0,1.0,0.8826341545448488,-0.8826341545448488,B,fcc,211.227178 +1,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,9.0,1.0,0.3568367904146735,-0.3568367904146735,B,fcc,212.347695 +2,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,11.0,1.0,0.24791415777814446,-0.24791415777814446,B,fcc,212.579818 +3,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,13.0,1.0,0.05299222252010037,0.05299222252010037,B,fcc,213.221074 +4,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,15.0,1.0,0.05572839201170854,0.05572839201170854,B,fcc,213.226905 +5,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,17.0,1.0,0.03953848979940786,0.03953848979940786,B,fcc,213.192403 +6,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,19.0,1.0,0.08448492664945709,-0.08448492664945709,B,fcc,212.92809900000003 +7,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,21.0,1.0,0.016076466151015836,-0.016076466151015836,B,fcc,213.073883 +8,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,23.0,1.0,0.051308570293031965,0.051308570293031965,B,fcc,213.217486 +9,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,25.0,1.0,0.00656978249160519,0.00656978249160519,B,fcc,213.122144 +10,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,27.0,1.0,0.0013358201335951824,0.0013358201335951824,B,fcc,213.11099 +11,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,29.0,1.0,0.0038408942947169705,-0.0038408942947169705,B,fcc,213.099958 +12,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,31.0,1.0,0.01900831094327236,-0.01900831094327236,B,fcc,213.067635 +13,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,33.0,1.0,0.0426568676006632,-0.0426568676006632,B,fcc,213.017238 +14,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,35.0,1.0,0.0014252193602559426,-0.0014252193602559426,B,fcc,213.105106 +15,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,37.0,1.0,0.014286521865606448,0.014286521865606448,B,fcc,213.138589 +16,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,39.0,1.0,0.0026032517571506226,0.0026032517571506226,B,fcc,213.113691 +17,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,41.0,1.0,0.020116668401551085,-0.020116668401551085,B,fcc,213.065273 +18,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,43.0,1.0,0.004914058353609647,-0.004914058353609647,B,fcc,213.097671 +19,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,45.0,1.0,0.005657812194157634,-0.005657812194157634,B,fcc,213.096086 +20,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,47.0,1.0,0.01724066380299351,-0.01724066380299351,B,fcc,213.071402 +21,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,49.0,1.0,0.006848287584337157,-0.006848287584337157,B,fcc,213.093549 +22,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,51.0,1.0,0.004850936865164076,0.004850936865164076,B,fcc,213.118481 +23,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,53.0,1.0,0.002350797772141842,0.002350797772141842,B,fcc,213.113153 +24,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,55.0,1.0,0.012123543530986276,-0.012123543530986276,B,fcc,213.082307 +25,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,57.0,1.0,0.002671292329302328,0.002671292329302328,B,fcc,213.113836 +26,Tetra,allKp,DMol3,Pd,LDA,213.108143258516,0.00673816415989189,59.0,1.0,0.0024749211528779123,-0.0024749211528779123,B,fcc,213.102869 +0,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,7.0,1.0,0.028574054332776905,0.028574054332776905,E0,fcc,14.396592000000002 +1,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,9.0,1.0,0.04673611033502513,-0.04673611033502513,E0,fcc,14.385753 +2,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,11.0,1.0,0.04128208008950419,0.04128208008950419,E0,fcc,14.398421 +3,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,13.0,1.0,0.0027480665045374443,0.0027480665045374443,E0,fcc,14.392875 +4,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,15.0,1.0,0.006298324712122988,-0.006298324712122988,E0,fcc,14.391573 +5,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,17.0,1.0,0.0004897355745544604,-0.0004897355745544604,E0,fcc,14.392409 +6,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,19.0,1.0,0.009855945317645415,0.009855945317645415,E0,fcc,14.393898000000002 +7,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,21.0,1.0,0.0008440873042459137,-0.0008440873042459137,E0,fcc,14.392357999999998 +8,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,23.0,1.0,0.003977668286338524,-0.003977668286338524,E0,fcc,14.391907000000002 +9,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,25.0,1.0,0.002115791849600938,0.002115791849600938,E0,fcc,14.392784 +10,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,27.0,1.0,0.00046215044440706815,0.00046215044440706815,E0,fcc,14.392546 +11,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,29.0,1.0,0.001511102324824166,-0.001511102324824166,E0,fcc,14.392262 +12,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,31.0,1.0,0.0002398121042307736,0.0002398121042307736,E0,fcc,14.392514000000002 +13,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,33.0,1.0,0.0011778019769035134,0.0011778019769035134,E0,fcc,14.392649 +14,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,35.0,1.0,0.0005800605252526226,-0.0005800605252526226,E0,fcc,14.392396 +15,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,37.0,1.0,0.0006148008909067113,-0.0006148008909067113,E0,fcc,14.392391 +16,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,39.0,1.0,0.0002328640310925505,0.0002328640310925505,E0,fcc,14.392513 +17,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,41.0,1.0,0.00019117559230023856,0.00019117559230023856,E0,fcc,14.392507 +18,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,43.0,1.0,0.00022570879556116924,-0.00022570879556116924,E0,fcc,14.392447 +19,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,45.0,1.0,3.5776177533483527e-06,3.5776177533483527e-06,E0,fcc,14.39248 +20,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,47.0,1.0,0.00030234476240072807,0.00030234476240072807,E0,fcc,14.392523 +21,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,49.0,1.0,4.526605653331801e-05,4.526605653331801e-05,E0,fcc,14.392485999999998 +22,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,51.0,1.0,0.00020486457617118443,-0.00020486457617118443,E0,fcc,14.39245 +23,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,53.0,1.0,8.695449533797219e-05,8.695449533797219e-05,E0,fcc,14.392492 +24,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,55.0,1.0,0.0002398121042307736,0.0002398121042307736,E0,fcc,14.392514000000002 +25,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,57.0,1.0,0.00013538384486300683,-0.00013538384486300683,E0,fcc,14.39246 +26,Tetra,allKp,DMol3,Pd,LDA,14.392479485092098,1.25700865706927e-05,59.0,1.0,3.5776177533483527e-06,3.5776177533483527e-06,E0,fcc,14.39248 +0,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,7.0,1.0,0.06593391563619391,0.06593391563619391,v0,fcc,14.411 +1,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,9.0,1.0,0.017390711869716843,-0.017390711869716843,v0,fcc,14.399000000000001 +2,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,11.0,1.0,0.06940577511561097,0.06940577511561097,v0,fcc,14.4115 +3,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,13.0,1.0,0.022882858091476645,0.022882858091476645,v0,fcc,14.4048 +4,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,15.0,1.0,0.011141364806763669,-0.011141364806763669,v0,fcc,14.3999 +5,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,17.0,1.0,0.010446992910882727,-0.010446992910882727,v0,fcc,14.4 +6,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,19.0,1.0,0.029132205154417487,0.029132205154417487,v0,fcc,14.4057 +7,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,21.0,1.0,0.0055235606944160145,0.0055235606944160145,v0,fcc,14.4023 +8,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,23.0,1.0,0.005586389639703775,-0.005586389639703775,v0,fcc,14.4007 +9,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,25.0,1.0,0.00489201774382283,-0.00489201774382283,v0,fcc,14.4008 +10,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,27.0,1.0,0.0027460731108799,0.0027460731108799,v0,fcc,14.4019 +11,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,29.0,1.0,0.0007257863685248253,-0.0007257863685248253,v0,fcc,14.4014 +12,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,31.0,1.0,0.00211453016029905,-0.00211453016029905,v0,fcc,14.4012 +13,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,33.0,1.0,0.0020517012149989552,0.0020517012149989552,v0,fcc,14.4018 +14,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,35.0,1.0,0.0006629574232370648,0.0006629574232370648,v0,fcc,14.4016 +15,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,37.0,1.0,0.00211453016029905,-0.00211453016029905,v0,fcc,14.4012 +16,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,39.0,1.0,0.00211453016029905,-0.00211453016029905,v0,fcc,14.4012 +17,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,41.0,1.0,0.0013573293191180098,0.0013573293191180098,v0,fcc,14.4017 +18,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,43.0,1.0,0.0007257863685248253,-0.0007257863685248253,v0,fcc,14.4014 +19,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,45.0,1.0,0.0014201582644057702,-0.0014201582644057702,v0,fcc,14.4013 +20,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,47.0,1.0,0.00211453016029905,-0.00211453016029905,v0,fcc,14.4012 +21,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,49.0,1.0,0.0013573293191180098,0.0013573293191180098,v0,fcc,14.4017 +22,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,51.0,1.0,0.0007257863685248253,-0.0007257863685248253,v0,fcc,14.4014 +23,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,53.0,1.0,0.0014201582644057702,-0.0014201582644057702,v0,fcc,14.4013 +24,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,55.0,1.0,0.0006629574232370648,0.0006629574232370648,v0,fcc,14.4016 +25,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,57.0,1.0,0.0006629574232370648,0.0006629574232370648,v0,fcc,14.4016 +26,Tetra,allKp,DMol3,Pd,LDA,14.4015045241567,6.76667359366403e-05,59.0,1.0,0.0007257863685248253,-0.0007257863685248253,v0,fcc,14.4014 +0,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,7.0,1.0,2.1807575697392183,2.1807575697392183,dB,fcc,5.413859 +1,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,9.0,1.0,0.15443741983725745,-0.15443741983725745,dB,fcc,5.290133 +2,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,11.0,1.0,0.3871151418318194,-0.3871151418318194,dB,fcc,5.277805 +3,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,13.0,1.0,0.20199970564407216,-0.20199970564407216,dB,fcc,5.287613 +4,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,15.0,1.0,0.1222542904515382,0.1222542904515382,dB,fcc,5.304793 +5,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,17.0,1.0,0.08726203732224984,0.08726203732224984,dB,fcc,5.302939 +6,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,19.0,1.0,0.16778128335526538,-0.16778128335526538,dB,fcc,5.2894260000000015 +7,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,21.0,1.0,0.020489188737697974,-0.020489188737697974,dB,fcc,5.29723 +8,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,23.0,1.0,0.007406469366461956,0.007406469366461956,dB,fcc,5.298708 +9,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,25.0,1.0,0.09190502236529027,0.09190502236529027,dB,fcc,5.303185 +10,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,27.0,1.0,0.09175403098177227,0.09175403098177227,dB,fcc,5.303177 +11,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,29.0,1.0,0.032074686648002004,0.032074686648002004,dB,fcc,5.300015 +12,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,31.0,1.0,0.07352182142249665,0.07352182142249665,dB,fcc,5.302211 +13,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,33.0,1.0,0.034943522934760336,0.034943522934760336,dB,fcc,5.300167 +14,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,35.0,1.0,0.0042356503126676015,0.0042356503126676015,dB,fcc,5.29854 +15,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,37.0,1.0,0.0475513034581536,0.0475513034581536,dB,fcc,5.300835 +16,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,39.0,1.0,0.04730594245994312,0.04730594245994312,dB,fcc,5.300822 +17,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,41.0,1.0,0.00442748031643295,-0.00442748031643295,dB,fcc,5.298081 +18,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,43.0,1.0,0.06470769940989485,0.06470769940989485,dB,fcc,5.301744 +19,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,45.0,1.0,0.043248049028016086,0.043248049028016086,dB,fcc,5.300607 +20,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,47.0,1.0,0.0921692572864426,0.0921692572864426,dB,fcc,5.303199 +21,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,49.0,1.0,0.002974188250111935,-0.002974188250111935,dB,fcc,5.298158 +22,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,51.0,1.0,0.04268183133982775,0.04268183133982775,dB,fcc,5.300577 +23,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,53.0,1.0,0.0306968902734316,0.0306968902734316,dB,fcc,5.299942 +24,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,55.0,1.0,0.0017820403305628325,0.0017820403305628325,dB,fcc,5.29841 +25,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,57.0,1.0,0.0006684788771615263,0.0006684788771615263,dB,fcc,5.298351 +26,Tetra,allKp,DMol3,Pd,LDA,5.29831558187949,0.000516198131968811,59.0,1.0,0.016409330608448687,0.016409330608448687,dB,fcc,5.299185 +0,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,7.0,1.0,0.38315744780875854,-0.38315744780875854,B,fcc,286.058294 +1,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,9.0,1.0,0.4633184402953884,0.4633184402953884,B,fcc,288.4890220000001 +2,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,11.0,1.0,0.614274412087796,0.614274412087796,B,fcc,288.922505 +3,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,13.0,1.0,0.5407662438186873,0.5407662438186873,B,fcc,288.7114200000001 +4,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,15.0,1.0,0.008619480794853739,0.008619480794853739,B,fcc,287.183315 +5,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,17.0,1.0,0.0007119490885515906,-0.0007119490885515906,B,fcc,287.156519 +6,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,19.0,1.0,0.11926880157872312,0.11926880157872312,B,fcc,287.501054 +7,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,21.0,1.0,0.058581424569035936,0.058581424569035936,B,fcc,287.3267850000001 +8,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,23.0,1.0,0.017982948726819596,0.017982948726819596,B,fcc,287.210203 +9,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,25.0,1.0,0.006425168922383821,-0.006425168922383821,B,fcc,287.140113 +10,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,27.0,1.0,0.016569443953845832,0.016569443953845832,B,fcc,287.206144 +11,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,29.0,1.0,0.009321880185603251,0.009321880185603251,B,fcc,287.185332 +12,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,31.0,1.0,0.02838904619571133,0.02838904619571133,B,fcc,287.240085 +13,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,33.0,1.0,0.012473100853446892,0.012473100853446892,B,fcc,287.194381 +14,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,35.0,1.0,0.019600870179225103,0.019600870179225103,B,fcc,287.214849 +15,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,37.0,1.0,0.011390075516162949,0.011390075516162949,B,fcc,287.191271 +16,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,39.0,1.0,0.016374081505546225,0.016374081505546225,B,fcc,287.205583 +17,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,41.0,1.0,0.018324169806316036,-0.018324169806316036,B,fcc,287.105944 +18,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,43.0,1.0,0.003383349292875127,0.003383349292875127,B,fcc,287.168279 +19,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,45.0,1.0,0.015297324482135178,0.015297324482135178,B,fcc,287.202491 +20,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,47.0,1.0,0.010198747645188218,0.010198747645188218,B,fcc,287.18785 +21,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,49.0,1.0,0.00820020024626807,0.00820020024626807,B,fcc,287.182111 +22,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,51.0,1.0,0.0012340141219419024,0.0012340141219419024,B,fcc,287.162107 +23,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,53.0,1.0,0.0028965102505943484,0.0028965102505943484,B,fcc,287.166881 +24,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,55.0,1.0,0.003504536693969111,0.003504536693969111,B,fcc,287.168627 +25,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,57.0,1.0,0.008074485729647606,0.008074485729647606,B,fcc,287.18175 +26,Tetra,allKp,DMol3,Pt,LDA,287.158563422775,0.006772243448342621,59.0,1.0,0.0013157966560176867,-0.0013157966560176867,B,fcc,287.154785 +0,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,7.0,1.0,0.1534325943689014,0.1534325943689014,E0,fcc,17.354559 +1,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,9.0,1.0,0.10915439136068014,-0.10915439136068014,E0,fcc,17.309058 +2,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,11.0,1.0,0.07472451164678309,-0.07472451164678309,E0,fcc,17.315023999999998 +3,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,13.0,1.0,0.004390342694166904,0.004390342694166904,E0,fcc,17.328733 +4,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,15.0,1.0,0.016076649502860182,0.016076649502860182,E0,fcc,17.330758 +5,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,17.0,1.0,0.00011402005455299863,0.00011402005455299863,E0,fcc,17.327992000000002 +6,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,19.0,1.0,0.006770801685112331,-0.006770801685112331,E0,fcc,17.326798999999998 +7,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,21.0,1.0,0.002679151548139152,-0.002679151548139152,E0,fcc,17.327507999999998 +8,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,23.0,1.0,0.002341632117833601,0.002341632117833601,E0,fcc,17.328378 +9,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,25.0,1.0,0.0011874289762367966,0.0011874289762367966,E0,fcc,17.328178 +10,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,27.0,1.0,0.001120977306977315,-0.001120977306977315,E0,fcc,17.327778 +11,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,29.0,1.0,0.0002582954472577249,0.0002582954472577249,E0,fcc,17.328017000000006 +12,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,31.0,1.0,0.0005699302954613884,0.0005699302954613884,E0,fcc,17.328070999999998 +13,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,33.0,1.0,2.745481892606232e-05,2.745481892606232e-05,E0,fcc,17.327977 +14,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,35.0,1.0,0.0005611887833001997,-0.0005611887833001997,E0,fcc,17.327875 +15,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,37.0,1.0,0.00024378291936210351,-0.00024378291936210351,E0,fcc,17.32793 +16,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,39.0,1.0,0.00015144666802123738,-0.00015144666802123738,E0,fcc,17.327946 +17,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,41.0,1.0,0.0006564955310883247,0.0006564955310883247,E0,fcc,17.328086 +18,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,43.0,1.0,3.322583463999214e-05,3.322583463999214e-05,E0,fcc,17.327978 +19,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,45.0,1.0,0.0003303481549685371,-0.0003303481549685371,E0,fcc,17.327915 +20,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,47.0,1.0,0.0001052785423508043,-0.0001052785423508043,E0,fcc,17.327954000000002 +21,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,49.0,1.0,4.179736957958729e-05,-4.179736957958729e-05,E0,fcc,17.327965 +22,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,51.0,1.0,9.670700743171191e-05,9.670700743171191e-05,E0,fcc,17.327989000000002 +23,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,53.0,1.0,0.00012556208596035552,0.00012556208596035552,E0,fcc,17.327994 +24,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,55.0,1.0,0.000122591589472091,-0.000122591589472091,E0,fcc,17.327951000000002 +25,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,57.0,1.0,0.0001399046365933777,-0.0001399046365933777,E0,fcc,17.327948000000006 +26,Tetra,allKp,DMol3,Pt,LDA,17.327972242636598,1.33563561387394e-05,59.0,1.0,8.516497600385227e-05,8.516497600385227e-05,E0,fcc,17.327987 +0,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,7.0,1.0,0.3123864559413697,0.3123864559413697,v0,fcc,15.0391 +1,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,9.0,1.0,0.09715803331627876,-0.09715803331627876,v0,fcc,14.9777 +2,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,11.0,1.0,0.13250959346392704,-0.13250959346392704,v0,fcc,14.9724 +3,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,13.0,1.0,0.06647554715039622,-0.06647554715039622,v0,fcc,14.9823 +4,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,15.0,1.0,0.010230668264310116,0.010230668264310116,v0,fcc,14.9938 +5,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,17.0,1.0,0.005561594282544353,0.005561594282544353,v0,fcc,14.9931 +6,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,19.0,1.0,0.013114701644518705,-0.013114701644518705,v0,fcc,14.9903 +7,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,21.0,1.0,0.011113669938040893,-0.011113669938040893,v0,fcc,14.9906 +8,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,23.0,1.0,0.0024425325433432,-0.0024425325433432,v0,fcc,14.9919 +9,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,25.0,1.0,0.0035605625760783883,0.0035605625760783883,v0,fcc,14.9928 +10,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,27.0,1.0,0.002226541438422564,0.002226541438422564,v0,fcc,14.9926 +11,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,29.0,1.0,0.00022550973195660038,0.00022550973195660038,v0,fcc,14.9923 +12,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,31.0,1.0,0.0037765536809871757,-0.0037765536809871757,v0,fcc,14.9917 +13,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,33.0,1.0,0.002226541438422564,0.002226541438422564,v0,fcc,14.9926 +14,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,35.0,1.0,0.00022550973195660038,0.00022550973195660038,v0,fcc,14.9923 +15,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,37.0,1.0,0.0008925203007785883,0.0008925203007785883,v0,fcc,14.9924 +16,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,39.0,1.0,0.0004415008368653875,-0.0004415008368653875,v0,fcc,14.9922 +17,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,41.0,1.0,0.0008925203007785883,0.0008925203007785883,v0,fcc,14.9924 +18,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,43.0,1.0,0.0015595308696005762,0.0015595308696005762,v0,fcc,14.9925 +19,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,45.0,1.0,0.00022550973195660038,0.00022550973195660038,v0,fcc,14.9923 +20,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,47.0,1.0,0.00022550973195660038,0.00022550973195660038,v0,fcc,14.9923 +21,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,49.0,1.0,0.00022550973195660038,0.00022550973195660038,v0,fcc,14.9923 +22,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,51.0,1.0,0.0008925203007785883,0.0008925203007785883,v0,fcc,14.9924 +23,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,53.0,1.0,0.0008925203007785883,0.0008925203007785883,v0,fcc,14.9924 +24,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,55.0,1.0,0.00022550973195660038,0.00022550973195660038,v0,fcc,14.9923 +25,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,57.0,1.0,0.0004415008368653875,-0.0004415008368653875,v0,fcc,14.9922 +26,Tetra,allKp,DMol3,Pt,LDA,14.992266190980699,3.55022009975826e-05,59.0,1.0,0.00022550973195660038,0.00022550973195660038,v0,fcc,14.9923 +0,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,7.0,1.0,0.7851577012115619,-0.7851577012115619,dB,fcc,5.201548000000002 +1,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,9.0,1.0,0.3096404093383079,-0.3096404093383079,dB,fcc,5.226478 +2,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,11.0,1.0,0.040865236689092206,0.040865236689092206,dB,fcc,5.244854 +3,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,13.0,1.0,0.1219512736771468,-0.1219512736771468,dB,fcc,5.236318 +4,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,15.0,1.0,0.051813769602649065,0.051813769602649065,dB,fcc,5.245428 +5,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,17.0,1.0,0.18668876620093008,-0.18668876620093008,dB,fcc,5.232924 +6,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,19.0,1.0,0.161320214328023,-0.161320214328023,dB,fcc,5.234254 +7,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,21.0,1.0,0.08599659677458134,-0.08599659677458134,dB,fcc,5.238203 +8,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,23.0,1.0,0.11201366801866433,-0.11201366801866433,dB,fcc,5.236839 +9,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,25.0,1.0,0.02850726192876668,-0.02850726192876668,dB,fcc,5.241217 +10,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,27.0,1.0,0.05515377844488738,-0.05515377844488738,dB,fcc,5.23982 +11,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,29.0,1.0,0.10003513375086094,-0.10003513375086094,dB,fcc,5.237467 +12,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,31.0,1.0,0.01313149652127622,0.01313149652127622,dB,fcc,5.2434 +13,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,33.0,1.0,0.0385211639838531,-0.0385211639838531,dB,fcc,5.240692 +14,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,35.0,1.0,0.025932258543167226,-0.025932258543167226,dB,fcc,5.241352 +15,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,37.0,1.0,0.033790787394018286,-0.033790787394018286,dB,fcc,5.24094 +16,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,39.0,1.0,0.01650965356180804,-0.01650965356180804,dB,fcc,5.241846 +17,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,41.0,1.0,0.02322373646349814,-0.02322373646349814,dB,fcc,5.241494 +18,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,43.0,1.0,0.03957023943723794,-0.03957023943723794,dB,fcc,5.240637 +19,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,45.0,1.0,0.03510690023554238,-0.03510690023554238,dB,fcc,5.240871 +20,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,47.0,1.0,0.014297058060107013,-0.014297058060107013,dB,fcc,5.241962 +21,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,49.0,1.0,0.014754836439781559,-0.014754836439781559,dB,fcc,5.241937999999998 +22,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,51.0,1.0,0.027172074988070418,-0.027172074988070418,dB,fcc,5.241287000000002 +23,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,53.0,1.0,0.003138710055859632,-0.003138710055859632,dB,fcc,5.242547 +24,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,55.0,1.0,0.007449456464347287,-0.007449456464347287,dB,fcc,5.242321 +25,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,57.0,1.0,0.020705955375364352,-0.020705955375364352,dB,fcc,5.241626 +26,Tetra,allKp,DMol3,Pt,LDA,5.24271155351473,0.000244547901787152,59.0,1.0,0.00048741027365621886,-0.00048741027365621886,dB,fcc,5.242686 +0,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,7.0,1.0,0.6751540656690326,0.6751540656690326,B,fcc,305.4567350000001 +1,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,9.0,1.0,0.3373285812857385,-0.3373285812857385,B,fcc,302.384779 +2,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,11.0,1.0,0.5556153201186161,-0.5556153201186161,B,fcc,301.722479 +3,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,13.0,1.0,0.10354160533888478,-0.10354160533888478,B,fcc,303.094108 +4,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,15.0,1.0,0.06986486911593,-0.06986486911593,B,fcc,303.196286 +5,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,17.0,1.0,0.11249785453267228,-0.11249785453267228,B,fcc,303.066934 +6,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,19.0,1.0,0.02741381678061507,-0.02741381678061507,B,fcc,303.325086 +7,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,21.0,1.0,0.011883399220875723,0.011883399220875723,B,fcc,303.444317 +8,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,23.0,1.0,0.02354180619959243,-0.02354180619959243,B,fcc,303.336834 +9,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,25.0,1.0,0.00833207865477338,0.00833207865477338,B,fcc,303.433542 +10,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,27.0,1.0,0.014950883258812327,0.014950883258812327,B,fcc,303.4536240000001 +11,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,29.0,1.0,0.014996883972524072,-0.014996883972524072,B,fcc,303.3627600000001 +12,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,31.0,1.0,0.0009283811081374943,-0.0009283811081374943,B,fcc,303.4054450000001 +13,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,33.0,1.0,0.007934782276972738,-0.007934782276972738,B,fcc,303.384187 +14,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,35.0,1.0,0.01590621979082094,-0.01590621979082094,B,fcc,303.3600009999999 +15,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,37.0,1.0,0.005018721285785496,0.005018721285785496,B,fcc,303.423489 +16,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,39.0,1.0,0.0030380797572057963,-0.0030380797572057963,B,fcc,303.399044 +17,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,41.0,1.0,0.001270965725966488,0.001270965725966488,B,fcc,303.412118 +18,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,43.0,1.0,0.010517770608895236,-0.010517770608895236,B,fcc,303.37635 +19,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,45.0,1.0,0.003168926556705723,-0.003168926556705723,B,fcc,303.3986470000001 +20,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,47.0,1.0,0.0003072477366127863,0.0003072477366127863,B,fcc,303.409194 +21,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,49.0,1.0,0.0014522396295642073,0.0014522396295642073,B,fcc,303.412668 +22,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,51.0,1.0,0.0036138715928296533,-0.0036138715928296533,B,fcc,303.3972970000001 +23,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,53.0,1.0,0.0015270563134144918,0.0015270563134144918,B,fcc,303.412895 +24,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,55.0,1.0,0.0030423644131171218,-0.0030423644131171218,B,fcc,303.399031 +25,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,57.0,1.0,0.00029109787974939647,0.00029109787974939647,B,fcc,303.409145 +26,Tetra,allKp,DMol3,Rh,LDA,303.408261784983,0.0033710705825080803,59.0,1.0,0.0013519028647610005,-0.0013519028647610005,B,fcc,303.40416 +0,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,7.0,1.0,0.4005777642928806,-0.4005777642928806,E0,fcc,10.226225 +1,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,9.0,1.0,0.2746887336030831,0.2746887336030831,E0,fcc,10.295557 +2,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,11.0,1.0,0.1429118381358843,0.1429118381358843,E0,fcc,10.282027 +3,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,13.0,1.0,0.03604371820665917,-0.03604371820665917,E0,fcc,10.263653 +4,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,15.0,1.0,0.025637218895614964,0.025637218895614964,E0,fcc,10.269986 +5,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,17.0,1.0,0.014719118391648332,0.014719118391648332,E0,fcc,10.268865 +6,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,19.0,1.0,0.003503688069480721,-0.003503688069480721,E0,fcc,10.266994 +7,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,21.0,1.0,0.011982288559687672,0.011982288559687672,E0,fcc,10.268584 +8,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,23.0,1.0,0.005232740255286629,0.005232740255286629,E0,fcc,10.267891 +9,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,25.0,1.0,0.0013804535379468975,-0.0013804535379468975,E0,fcc,10.267212 +10,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,27.0,1.0,0.003002370036357469,0.003002370036357469,E0,fcc,10.267662 +11,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,29.0,1.0,0.0033432563143627643,0.0033432563143627643,E0,fcc,10.267697 +12,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,31.0,1.0,0.0006746037380031673,0.0006746037380031673,E0,fcc,10.267423 +13,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,33.0,1.0,0.0018725755149981487,0.0018725755149981487,E0,fcc,10.267546 +14,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,35.0,1.0,0.0014245535496148173,0.0014245535496148173,E0,fcc,10.2675 +15,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,37.0,1.0,0.00023632138057273067,0.00023632138057273067,E0,fcc,10.267378 +16,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,39.0,1.0,0.0007719998174456098,0.0007719998174456098,E0,fcc,10.267433 +17,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,41.0,1.0,0.001512210021104365,0.001512210021104365,E0,fcc,10.267509 +18,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,43.0,1.0,0.00047981157915288485,0.00047981157915288485,E0,fcc,10.267403 +19,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,45.0,1.0,4.1529221722448176e-05,4.1529221722448176e-05,E0,fcc,10.267358 +20,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,47.0,1.0,0.0008401770730293676,0.0008401770730293676,E0,fcc,10.26744 +21,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,49.0,1.0,0.00029475902823819614,0.00029475902823819614,E0,fcc,10.267384 +22,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,51.0,1.0,0.00027527981236700864,0.00027527981236700864,E0,fcc,10.267382 +23,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,53.0,1.0,0.0005382492268010493,0.0005382492268010493,E0,fcc,10.267409 +24,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,55.0,1.0,0.00022658177263713697,0.00022658177263713697,E0,fcc,10.267377 +25,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,57.0,1.0,5.126882965804189e-05,5.126882965804189e-05,E0,fcc,10.267359 +26,Tetra,allKp,DMol3,Rh,LDA,10.267353736047902,1.13893742811274e-05,59.0,1.0,0.00036293628383925517,0.00036293628383925517,E0,fcc,10.267391 +0,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,7.0,1.0,0.2531589378588691,-0.2531589378588691,v0,fcc,13.3949 +1,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,9.0,1.0,0.07970534597137759,0.07970534597137759,v0,fcc,13.4396 +2,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,11.0,1.0,0.09981124231010986,0.09981124231010986,v0,fcc,13.4423 +3,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,13.0,1.0,0.01045170302683326,0.01045170302683326,v0,fcc,13.4303 +4,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,15.0,1.0,0.008962377372102063,0.008962377372102063,v0,fcc,13.4301 +5,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,17.0,1.0,0.015664342818346156,0.015664342818346156,v0,fcc,13.431 +6,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,19.0,1.0,0.008217714544743078,0.008217714544743078,v0,fcc,13.43 +7,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,21.0,1.0,0.0007710862711400005,0.0007710862711400005,v0,fcc,13.429 +8,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,23.0,1.0,0.005239063235307137,0.005239063235307137,v0,fcc,13.4296 +9,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,25.0,1.0,0.001515749098498985,0.001515749098498985,v0,fcc,13.4291 +10,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,27.0,1.0,0.0022075650383091673,-0.0022075650383091673,v0,fcc,13.4286 +11,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,29.0,1.0,2.6423443781015602e-05,2.6423443781015602e-05,v0,fcc,13.4289 +12,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,31.0,1.0,0.0007710862711400005,0.0007710862711400005,v0,fcc,13.429 +13,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,33.0,1.0,0.0007182393835779693,-0.0007182393835779693,v0,fcc,13.4288 +14,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,35.0,1.0,0.0007710862711400005,0.0007710862711400005,v0,fcc,13.429 +15,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,37.0,1.0,0.00226041192585797,0.00226041192585797,v0,fcc,13.4292 +16,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,39.0,1.0,0.0007182393835779693,-0.0007182393835779693,v0,fcc,13.4288 +17,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,41.0,1.0,0.0007710862711400005,0.0007710862711400005,v0,fcc,13.429 +18,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,43.0,1.0,0.001515749098498985,0.001515749098498985,v0,fcc,13.4291 +19,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,45.0,1.0,0.0007182393835779693,-0.0007182393835779693,v0,fcc,13.4288 +20,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,47.0,1.0,2.6423443781015602e-05,2.6423443781015602e-05,v0,fcc,13.4289 +21,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,49.0,1.0,0.001515749098498985,0.001515749098498985,v0,fcc,13.4291 +22,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,51.0,1.0,2.6423443781015602e-05,2.6423443781015602e-05,v0,fcc,13.4289 +23,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,53.0,1.0,2.6423443781015602e-05,2.6423443781015602e-05,v0,fcc,13.4289 +24,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,55.0,1.0,0.0007710862711400005,0.0007710862711400005,v0,fcc,13.429 +25,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,57.0,1.0,2.6423443781015602e-05,2.6423443781015602e-05,v0,fcc,13.4289 +26,Tetra,allKp,DMol3,Rh,LDA,13.428896451623096,3.1856689517411105e-05,59.0,1.0,2.6423443781015602e-05,2.6423443781015602e-05,v0,fcc,13.4289 +0,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,7.0,1.0,1.1709849931873102,1.1709849931873102,dB,fcc,5.205558 +1,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,9.0,1.0,0.8297225722335128,0.8297225722335128,dB,fcc,5.187999 +2,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,11.0,1.0,0.6769620147588961,0.6769620147588961,dB,fcc,5.180139 +3,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,13.0,1.0,0.08834798884589944,0.08834798884589944,dB,fcc,5.149853 +4,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,15.0,1.0,0.06471480336381492,0.06471480336381492,dB,fcc,5.148637 +5,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,17.0,1.0,0.31734207180615703,-0.31734207180615703,dB,fcc,5.128979 +6,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,19.0,1.0,0.047698309159495564,-0.047698309159495564,dB,fcc,5.142853 +7,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,21.0,1.0,0.04629024757679672,0.04629024757679672,dB,fcc,5.147689 +8,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,23.0,1.0,0.04385014244448335,-0.04385014244448335,dB,fcc,5.143051 +9,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,25.0,1.0,0.03748610857731767,0.03748610857731767,dB,fcc,5.147236 +10,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,27.0,1.0,0.06547277559556157,0.06547277559556157,dB,fcc,5.148676 +11,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,29.0,1.0,0.043724803100127684,0.043724803100127684,dB,fcc,5.147557 +12,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,31.0,1.0,0.03612564559726355,0.03612564559726355,dB,fcc,5.147166 +13,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,33.0,1.0,0.08891160922334279,0.08891160922334279,dB,fcc,5.149882 +14,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,35.0,1.0,0.062149358887145865,0.062149358887145865,dB,fcc,5.148505 +15,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,37.0,1.0,0.004115895195136185,0.004115895195136185,dB,fcc,5.145519 +16,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,39.0,1.0,0.02778795104806756,0.02778795104806756,dB,fcc,5.146737 +17,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,41.0,1.0,0.014047274949536458,0.014047274949536458,dB,fcc,5.1460300000000005 +18,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,43.0,1.0,0.025125330644255487,0.025125330644255487,dB,fcc,5.1466 +19,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,45.0,1.0,0.022890284319879627,0.022890284319879627,dB,fcc,5.146485 +20,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,47.0,1.0,0.02403696026021564,0.02403696026021564,dB,fcc,5.1465440000000005 +21,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,49.0,1.0,0.030653651537946282,-0.030653651537946282,dB,fcc,5.1437300000000015 +22,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,51.0,1.0,0.017642784253949183,0.017642784253949183,dB,fcc,5.146215 +23,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,53.0,1.0,0.028040608458649776,0.028040608458649776,dB,fcc,5.14675 +24,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,55.0,1.0,0.017010151366558198,-0.017010151366558198,dB,fcc,5.144432 +25,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,57.0,1.0,0.013755747168090122,0.013755747168090122,dB,fcc,5.146015 +26,Tetra,allKp,DMol3,Rh,LDA,5.14530722454717,0.000408495677535077,59.0,1.0,0.007497617459830802,0.007497617459830802,dB,fcc,5.145693 +0,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,7.0,1.0,0.3027980463540391,-0.3027980463540391,B,hcp,347.049212 +1,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,9.0,1.0,0.07850346540019901,0.07850346540019901,B,hcp,348.376535 +2,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,11.0,1.0,0.12003912904803235,0.12003912904803235,B,hcp,348.52112200000005 +3,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,13.0,1.0,0.10703171071934406,-0.10703171071934406,B,hcp,347.730681 +4,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,15.0,1.0,0.00672153318239524,-0.00672153318239524,B,hcp,348.079864 +5,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,17.0,1.0,0.00805052029473702,0.00805052029473702,B,hcp,348.131286 +6,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,19.0,1.0,0.02153093189991833,-0.02153093189991833,B,hcp,348.028312 +7,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,21.0,1.0,0.02086618662074932,-0.02086618662074932,B,hcp,348.030626 +8,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,23.0,1.0,0.0009229664320492768,-0.0009229664320492768,B,hcp,348.100049 +9,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,25.0,1.0,0.0069126395467502535,0.0069126395467502535,B,hcp,348.127325 +10,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,27.0,1.0,0.011514363881559663,-0.011514363881559663,B,hcp,348.06318 +11,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,29.0,1.0,0.0022059901716048576,0.0022059901716048576,B,hcp,348.110941 +12,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,31.0,1.0,0.000637706249584506,-0.000637706249584506,B,hcp,348.101042 +13,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,33.0,1.0,0.0018491283940520519,-0.0018491283940520519,B,hcp,348.096825 +14,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,35.0,1.0,0.0029726455880410914,-0.0029726455880410914,B,hcp,348.092914 +15,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,37.0,1.0,0.00013871638358063328,-0.00013871638358063328,B,hcp,348.102779 +16,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,39.0,1.0,0.000986237165804913,0.000986237165804913,B,hcp,348.106695 +17,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,41.0,1.0,0.004154766082354578,-0.004154766082354578,B,hcp,348.088799 +18,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,43.0,1.0,0.002641422032773793,-0.002641422032773793,B,hcp,348.094067 +19,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,45.0,1.0,0.00014072728113574294,-0.00014072728113574294,B,hcp,348.102772 +20,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,47.0,1.0,0.0021183013960432862,-0.0021183013960432862,B,hcp,348.095888 +21,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,49.0,1.0,0.003677034276267997,-0.003677034276267997,B,hcp,348.090462 +22,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,51.0,1.0,0.0015908716931069288,-0.0015908716931069288,B,hcp,348.097724 +23,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,53.0,1.0,0.0011706651991899562,0.0011706651991899562,B,hcp,348.1073370000001 +24,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,55.0,1.0,0.003634805427512716,-0.003634805427512716,B,hcp,348.090609 +25,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,57.0,1.0,0.0004102586503523159,0.0004102586503523159,B,hcp,348.10469 +26,Tetra,allKp,DMol3,Ru,LDA,348.103261876256,0.0028170006240091,59.0,1.0,0.00015767627486351299,-0.00015767627486351299,B,hcp,348.102713 +0,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,7.0,1.0,0.12458572490397796,0.12458572490397796,E0,hcp,8.282934 +1,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,9.0,1.0,0.023251223140717186,-0.023251223140717186,E0,hcp,8.270703999999999 +2,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,11.0,1.0,0.0023509710418284204,-0.0023509710418284204,E0,hcp,8.272433 +3,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,13.0,1.0,0.0371528021560521,0.0371528021560521,E0,hcp,8.275701 +4,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,15.0,1.0,0.0070774016784222816,-0.0070774016784222816,E0,hcp,8.272041999999999 +5,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,17.0,1.0,0.010970068757471104,0.010970068757471104,E0,hcp,8.273535 +6,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,19.0,1.0,0.003076566952634613,0.003076566952634613,E0,hcp,8.272882000000001 +7,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,21.0,1.0,0.003233711705247505,0.003233711705247505,E0,hcp,8.272895 +8,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,23.0,1.0,0.0006589553738227902,0.0006589553738227902,E0,hcp,8.272682000000001 +9,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,25.0,1.0,0.0008641399208518488,-0.0008641399208518488,E0,hcp,8.272556 +10,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,27.0,1.0,0.0044425174946534154,0.0044425174946534154,E0,hcp,8.272995 +11,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,29.0,1.0,0.0012388697155672518,-0.0012388697155672518,E0,hcp,8.272525 +12,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,31.0,1.0,0.0007798359527376139,0.0007798359527376139,E0,hcp,8.272692 +13,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,33.0,1.0,0.0007556598369460603,0.0007556598369460603,E0,hcp,8.272689999999999 +14,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,35.0,1.0,0.0004776345053968727,0.0004776345053968727,E0,hcp,8.272667 +15,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,37.0,1.0,0.0007193956632694657,0.0007193956632694657,E0,hcp,8.272687 +16,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,39.0,1.0,0.0001388564471911237,-0.0001388564471911237,E0,hcp,8.272616000000001 +17,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,41.0,1.0,0.0009490687632570183,0.0009490687632570183,E0,hcp,8.272706 +18,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,43.0,1.0,3.0063926161340386e-05,-3.0063926161340386e-05,E0,hcp,8.272625 +19,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,45.0,1.0,0.0002237852896177661,0.0002237852896177661,E0,hcp,8.272646 +20,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,47.0,1.0,0.00034466586855406273,0.00034466586855406273,E0,hcp,8.272656 +21,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,49.0,1.0,0.00016334500014961783,0.00016334500014961783,E0,hcp,8.272641 +22,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,51.0,1.0,0.0003930181001371704,0.0003930181001371704,E0,hcp,8.27266 +23,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,53.0,1.0,7.84161577229754e-05,-7.84161577229754e-05,E0,hcp,8.272621000000001 +24,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,55.0,1.0,0.00027213752120087384,0.00027213752120087384,E0,hcp,8.27265 +25,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,57.0,1.0,9.081665279642892e-05,9.081665279642892e-05,E0,hcp,8.272635000000001 +26,Tetra,allKp,DMol3,Ru,LDA,8.272627487076619,6.754817941015701e-06,59.0,1.0,0.00010290471068146951,0.00010290471068146951,E0,hcp,8.272636 +0,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,7.0,1.0,0.0473583952843438,0.0473583952843438,v0,hcp,13.3566 +1,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,9.0,1.0,0.021890759917254667,0.021890759917254667,v0,hcp,13.3532 +2,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,11.0,1.0,0.006909797936626535,0.006909797936626535,v0,hcp,13.3512 +3,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,13.0,1.0,0.006909797936626535,0.006909797936626535,v0,hcp,13.3512 +4,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,15.0,1.0,0.005824019746911375,-0.005824019746911375,v0,hcp,13.3495 +5,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,17.0,1.0,0.009156942233716762,0.009156942233716762,v0,hcp,13.3515 +6,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,19.0,1.0,0.00241550934243277,0.00241550934243277,v0,hcp,13.3506 +7,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,21.0,1.0,0.0005806830537008412,-0.0005806830537008412,v0,hcp,13.3502 +8,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,23.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +9,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,25.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +10,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,27.0,1.0,0.0009174131443726172,0.0009174131443726172,v0,hcp,13.3504 +11,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,29.0,1.0,0.0013297311527309176,-0.0013297311527309176,v0,hcp,13.3501 +12,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,31.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +13,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,33.0,1.0,0.0009174131443726172,0.0009174131443726172,v0,hcp,13.3504 +14,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,35.0,1.0,0.0005806830537008412,-0.0005806830537008412,v0,hcp,13.3502 +15,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,37.0,1.0,0.0005806830537008412,-0.0005806830537008412,v0,hcp,13.3502 +16,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,39.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +17,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,41.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +18,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,43.0,1.0,0.0005806830537008412,-0.0005806830537008412,v0,hcp,13.3502 +19,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,45.0,1.0,0.0005806830537008412,-0.0005806830537008412,v0,hcp,13.3502 +20,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,47.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +21,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,49.0,1.0,0.0005806830537008412,-0.0005806830537008412,v0,hcp,13.3502 +22,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,51.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +23,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,53.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +24,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,55.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +25,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,57.0,1.0,0.0005806830537008412,-0.0005806830537008412,v0,hcp,13.3502 +26,Tetra,allKp,DMol3,Ru,LDA,13.350277522799196,2.29820778463843e-05,59.0,1.0,0.00016836504534254086,0.00016836504534254086,v0,hcp,13.3503 +0,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,7.0,1.0,0.11905702211116752,-0.11905702211116752,dB,hcp,4.8883839999999985 +1,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,9.0,1.0,0.1589000129250792,-0.1589000129250792,dB,hcp,4.886434 +2,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,11.0,1.0,0.04658765815982181,0.04658765815982181,dB,hcp,4.896491 +3,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,13.0,1.0,0.15904303904595152,-0.15904303904595152,dB,hcp,4.8864269999999985 +4,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,15.0,1.0,0.07633709130087997,0.07633709130087997,dB,hcp,4.897947 +5,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,17.0,1.0,0.025109293002245767,-0.025109293002245767,dB,hcp,4.892982 +6,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,19.0,1.0,0.11505229072677932,-0.11505229072677932,dB,hcp,4.88858 +7,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,21.0,1.0,0.019351398285493912,0.019351398285493912,dB,hcp,4.895158 +8,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,23.0,1.0,0.032775421344324686,0.032775421344324686,dB,hcp,4.895815 +9,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,25.0,1.0,0.01728773568434675,0.01728773568434675,dB,hcp,4.895057 +10,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,27.0,1.0,0.01597605356951154,-0.01597605356951154,dB,hcp,4.893429 +11,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,29.0,1.0,0.018411512348340837,0.018411512348340837,dB,hcp,4.895112 +12,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,31.0,1.0,0.020965550221021662,0.020965550221021662,dB,hcp,4.895237 +13,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,33.0,1.0,0.0355910644317475,-0.0355910644317475,dB,hcp,4.892469 +14,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,35.0,1.0,0.011566690849527174,0.011566690849527174,dB,hcp,4.894777 +15,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,37.0,1.0,0.021435493189589132,0.021435493189589132,dB,hcp,4.89526 +16,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,39.0,1.0,0.002878947358375929,-0.002878947358375929,dB,hcp,4.89407 +17,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,41.0,1.0,0.014484495451871738,-0.014484495451871738,dB,hcp,4.893502 +18,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,43.0,1.0,0.030507435713388462,0.030507435713388462,dB,hcp,4.895704 +19,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,45.0,1.0,0.021578519310461432,0.021578519310461432,dB,hcp,4.895267 +20,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,47.0,1.0,0.014688818481678946,-0.014688818481678946,dB,hcp,4.893492 +21,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,49.0,1.0,0.009196543703687346,0.009196543703687346,dB,hcp,4.894661 +22,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,51.0,1.0,0.010626804912392242,0.010626804912392242,dB,hcp,4.894731 +23,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,53.0,1.0,0.0005292325155023063,-0.0005292325155023063,dB,hcp,4.894185 +24,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,55.0,1.0,0.012012186791092016,-0.012012186791092016,dB,hcp,4.893623000000002 +25,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,57.0,1.0,0.01001383582295247,0.01001383582295247,dB,hcp,4.894701 +26,Tetra,allKp,DMol3,Ru,LDA,4.89421090175547,0.000230930354934303,59.0,1.0,0.0010031902081061915,0.0010031902081061915,dB,hcp,4.89426 +0,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,7.0,1.0,0.34002707919968983,0.34002707919968983,B,hcp,58.354269 +1,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,9.0,1.0,0.12089602109415593,0.12089602109415593,B,hcp,58.22683000000001 +2,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,11.0,1.0,0.2946890852648058,0.2946890852648058,B,hcp,58.327902 +3,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,13.0,1.0,0.028001881285352668,0.028001881285352668,B,hcp,58.17280600000001 +4,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,15.0,1.0,0.03915825703564183,-0.03915825703564183,B,hcp,58.133748 +5,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,17.0,1.0,0.026612802348007863,-0.026612802348007863,B,hcp,58.141044 +6,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,19.0,1.0,0.061252082046802575,-0.061252082046802575,B,hcp,58.120899 +7,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,21.0,1.0,0.011618507893923082,0.011618507893923082,B,hcp,58.16327800000001 +8,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,23.0,1.0,0.020767954767945657,0.020767954767945657,B,hcp,58.168599 +9,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,25.0,1.0,0.014999315374266329,-0.014999315374266329,B,hcp,58.147798 +10,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,27.0,1.0,0.0018448833812227496,0.0018448833812227496,B,hcp,58.157594 +11,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,29.0,1.0,0.012026028831553518,0.012026028831553518,B,hcp,58.163515 +12,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,31.0,1.0,0.0028060825548127844,0.0028060825548127844,B,hcp,58.15815300000001 +13,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,33.0,1.0,0.00925103480672356,-0.00925103480672356,B,hcp,58.151141 +14,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,35.0,1.0,0.001623343332717393,-0.001623343332717393,B,hcp,58.155577 +15,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,37.0,1.0,0.0004334509747448545,-0.0004334509747448545,B,hcp,58.156269 +16,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,39.0,1.0,0.001623343332717393,-0.001623343332717393,B,hcp,58.155577 +17,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,41.0,1.0,0.0005982476015389048,0.0005982476015389048,B,hcp,58.15686899999999 +18,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,43.0,1.0,0.0015989952205511338,0.0015989952205511338,B,hcp,58.157451 +19,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,45.0,1.0,0.0014531130676323446,-0.0014531130676323446,B,hcp,58.155676 +20,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,47.0,1.0,0.0014531130676323446,-0.0014531130676323446,B,hcp,58.155676 +21,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,49.0,1.0,0.0019171022815637128,0.0019171022815637128,B,hcp,58.157636 +22,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,51.0,1.0,0.0005982476015389048,0.0005982476015389048,B,hcp,58.15686899999999 +23,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,53.0,1.0,0.0037228499354492843,-0.0037228499354492843,B,hcp,58.15435600000001 +24,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,55.0,1.0,0.0019171022815637128,0.0019171022815637128,B,hcp,58.157636 +25,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,57.0,1.0,0.0037228499354492843,-0.0037228499354492843,B,hcp,58.15435600000001 +26,Tetra,allKp,DMol3,Sc,LDA,58.156521080007494,0.0007343495383479573,59.0,1.0,0.0019171022815637128,0.0019171022815637128,B,hcp,58.157636 +0,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,7.0,1.0,0.030212099987849364,-0.030212099987849364,E0,hcp,6.680449 +1,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,9.0,1.0,0.003186156529940837,-0.003186156529940837,E0,hcp,6.6822550000000005 +2,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,11.0,1.0,0.0027397978495244525,0.0027397978495244525,E0,hcp,6.682651 +3,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,13.0,1.0,0.0007644797230360227,0.0007644797230360227,E0,hcp,6.682519 +4,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,15.0,1.0,0.0003305083164508633,0.0003305083164508633,E0,hcp,6.68249 +5,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,17.0,1.0,0.0016174580049163687,0.0016174580049163687,E0,hcp,6.682575999999999 +6,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,19.0,1.0,0.001063770348263959,0.001063770348263959,E0,hcp,6.682539 +7,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,21.0,1.0,0.0001060403475398795,0.0001060403475398795,E0,hcp,6.682475 +8,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,23.0,1.0,0.0001060403475398795,0.0001060403475398795,E0,hcp,6.682475 +9,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,25.0,1.0,0.0003754019102277436,0.0003754019102277436,E0,hcp,6.682492999999999 +10,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,27.0,1.0,0.00016589847256685914,0.00016589847256685914,E0,hcp,6.682478999999999 +11,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,29.0,1.0,1.3675902553953226e-05,-1.3675902553953226e-05,E0,hcp,6.682467 +12,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,31.0,1.0,6.114675374970805e-05,6.114675374970805e-05,E0,hcp,6.682472 +13,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,33.0,1.0,0.00016589847256685914,0.00016589847256685914,E0,hcp,6.682478999999999 +14,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,35.0,1.0,6.114675374970805e-05,6.114675374970805e-05,E0,hcp,6.682472 +15,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,37.0,1.0,3.1217691222927064e-05,3.1217691222927064e-05,E0,hcp,6.68247 +16,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,39.0,1.0,6.114675374970805e-05,6.114675374970805e-05,E0,hcp,6.682472 +17,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,41.0,1.0,4.618222249960872e-05,4.618222249960872e-05,E0,hcp,6.6824710000000005 +18,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,43.0,1.0,3.1217691222927064e-05,3.1217691222927064e-05,E0,hcp,6.68247 +19,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,45.0,1.0,4.618222249960872e-05,4.618222249960872e-05,E0,hcp,6.6824710000000005 +20,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,47.0,1.0,4.618222249960872e-05,4.618222249960872e-05,E0,hcp,6.6824710000000005 +21,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,49.0,1.0,1.6253159972827748e-05,1.6253159972827748e-05,E0,hcp,6.682469 +22,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,51.0,1.0,4.618222249960872e-05,4.618222249960872e-05,E0,hcp,6.6824710000000005 +23,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,53.0,1.0,1.6253159972827748e-05,1.6253159972827748e-05,E0,hcp,6.682469 +24,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,55.0,1.0,1.6253159972827748e-05,1.6253159972827748e-05,E0,hcp,6.682469 +25,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,57.0,1.0,1.6253159972827748e-05,1.6253159972827748e-05,E0,hcp,6.682469 +26,Tetra,allKp,DMol3,Sc,LDA,6.6824679138878,3.30131500899962e-07,59.0,1.0,1.6253159972827748e-05,1.6253159972827748e-05,E0,hcp,6.682469 +0,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,7.0,1.0,0.026524572138181057,-0.026524572138181057,v0,hcp,22.8611 +1,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,9.0,1.0,0.053200375144596176,-0.053200375144596176,v0,hcp,22.855 +2,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,11.0,1.0,0.046068596698950366,0.046068596698950366,v0,hcp,22.8777 +3,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,13.0,1.0,0.016768944216485008,0.016768944216485008,v0,hcp,22.871 +4,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,15.0,1.0,0.005533776329856705,-0.005533776329856705,v0,hcp,22.8659 +5,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,17.0,1.0,0.003212388590274558,0.003212388590274558,v0,hcp,22.8679 +6,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,19.0,1.0,0.003212388590274558,0.003212388590274558,v0,hcp,22.8679 +7,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,21.0,1.0,0.0019004638522571995,0.0019004638522571995,v0,hcp,22.8676 +8,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,23.0,1.0,0.00028607737777173233,-0.00028607737777173233,v0,hcp,22.8671 +9,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,25.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +10,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,27.0,1.0,0.0019004638522571995,0.0019004638522571995,v0,hcp,22.8676 +11,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,29.0,1.0,0.0005885391142398404,0.0005885391142398404,v0,hcp,22.8673 +12,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,31.0,1.0,0.0010258473602456268,0.0010258473602456268,v0,hcp,22.8674 +13,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,33.0,1.0,0.002337772098262985,0.002337772098262985,v0,hcp,22.8677 +14,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,35.0,1.0,0.0005885391142398404,0.0005885391142398404,v0,hcp,22.8673 +15,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,37.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +16,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,39.0,1.0,0.0005885391142398404,0.0005885391142398404,v0,hcp,22.8673 +17,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,41.0,1.0,0.0010258473602456268,0.0010258473602456268,v0,hcp,22.8674 +18,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,43.0,1.0,0.0005885391142398404,0.0005885391142398404,v0,hcp,22.8673 +19,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,45.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +20,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,47.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +21,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,49.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +22,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,51.0,1.0,0.0010258473602456268,0.0010258473602456268,v0,hcp,22.8674 +23,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,53.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +24,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,55.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +25,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,57.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +26,Tetra,allKp,DMol3,Sc,LDA,22.8671654177872,2.7499869297790888e-05,59.0,1.0,0.00015123086823405402,0.00015123086823405402,v0,hcp,22.8672 +0,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,7.0,1.0,4.000935572620714,-4.000935572620714,dB,hcp,3.607331 +1,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,9.0,1.0,1.7528379850912947,1.7528379850912947,dB,hcp,3.823539 +2,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,11.0,1.0,0.4464752139114884,-0.4464752139114884,dB,hcp,3.740896 +3,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,13.0,1.0,0.5283609962926954,-0.5283609962926954,dB,hcp,3.737819 +4,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,15.0,1.0,0.5975751645026242,0.5975751645026242,dB,hcp,3.780128 +5,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,17.0,1.0,0.0799984153505969,-0.0799984153505969,dB,hcp,3.754667 +6,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,19.0,1.0,0.2751191681680061,-0.2751191681680061,dB,hcp,3.747335 +7,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,21.0,1.0,0.14551348581890033,0.14551348581890033,dB,hcp,3.763141000000001 +8,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,23.0,1.0,0.09423174950148866,0.09423174950148866,dB,hcp,3.761214 +9,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,25.0,1.0,0.02541676450109663,-0.02541676450109663,dB,hcp,3.756718 +10,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,27.0,1.0,0.03552940580915236,-0.03552940580915236,dB,hcp,3.756338 +11,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,29.0,1.0,0.052374937251234766,-0.052374937251234766,dB,hcp,3.755705 +12,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,31.0,1.0,0.10341716364290783,-0.10341716364290783,dB,hcp,3.753787 +13,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,33.0,1.0,0.1611656679546708,-0.1611656679546708,dB,hcp,3.751617 +14,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,35.0,1.0,0.035556018023112805,-0.035556018023112805,dB,hcp,3.756337 +15,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,37.0,1.0,0.020941712232107168,0.020941712232107168,dB,hcp,3.75846 +16,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,39.0,1.0,0.035556018023112805,-0.035556018023112805,dB,hcp,3.756337 +17,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,41.0,1.0,0.0510709387667827,-0.0510709387667827,dB,hcp,3.755754 +18,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,43.0,1.0,0.01905644536262261,-0.01905644536262261,dB,hcp,3.756957 +19,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,45.0,1.0,0.009396211692048179,-0.009396211692048179,dB,hcp,3.75732 +20,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,47.0,1.0,0.009396211692048179,-0.009396211692048179,dB,hcp,3.75732 +21,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,49.0,1.0,0.010429887714538323,0.010429887714538323,dB,hcp,3.758065 +22,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,51.0,1.0,0.0510709387667827,-0.0510709387667827,dB,hcp,3.755754 +23,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,53.0,1.0,0.03800434170823061,-0.03800434170823061,dB,hcp,3.756245 +24,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,55.0,1.0,0.010429887714538323,0.010429887714538323,dB,hcp,3.758065 +25,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,57.0,1.0,0.03800434170823061,-0.03800434170823061,dB,hcp,3.756245 +26,Tetra,allKp,DMol3,Sc,LDA,3.7576730789171897,0.000456718498926886,59.0,1.0,0.010429887714538323,0.010429887714538323,dB,hcp,3.758065 +0,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,7.0,1.0,0.6491896072588924,0.6491896072588924,B,bcc,231.205681 +1,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,9.0,1.0,1.8616926122387505,-1.8616926122387505,B,bcc,225.437823 +2,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,11.0,1.0,0.24857606103593924,0.24857606103593924,B,bcc,230.285414 +3,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,13.0,1.0,0.31305656001109955,-0.31305656001109955,B,bcc,228.995263 +4,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,15.0,1.0,0.015147942317579969,0.015147942317579969,B,bcc,229.749196 +5,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,17.0,1.0,0.0031791630724611747,-0.0031791630724611747,B,bcc,229.707096 +6,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,19.0,1.0,0.0027199011826625785,0.0027199011826625785,B,bcc,229.720647 +7,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,21.0,1.0,0.002330722270084642,0.002330722270084642,B,bcc,229.719753 +8,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,23.0,1.0,0.00837169782524565,-0.00837169782524565,B,bcc,229.695168 +9,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,25.0,1.0,0.0102688361931862,-0.0102688361931862,B,bcc,229.69081 +10,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,27.0,1.0,0.012188176042709086,-0.012188176042709086,B,bcc,229.686401 +11,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,29.0,1.0,0.0023233177233631546,-0.0023233177233631546,B,bcc,229.709062 +12,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,31.0,1.0,0.0039331428001486675,-0.0039331428001486675,B,bcc,229.705364 +13,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,33.0,1.0,0.001417414262765514,0.001417414262765514,B,bcc,229.717655 +14,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,35.0,1.0,0.009570142507895636,-0.009570142507895636,B,bcc,229.692415 +15,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,37.0,1.0,0.00029863371996846383,0.00029863371996846383,B,bcc,229.715085 +16,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,39.0,1.0,0.003465609770146423,0.003465609770146423,B,bcc,229.72236 +17,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,41.0,1.0,0.0016894871901627266,-0.0016894871901627266,B,bcc,229.710518 +18,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,43.0,1.0,0.0029318995127977,-0.0029318995127977,B,bcc,229.707664 +19,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,45.0,1.0,0.0033450211996272146,-0.0033450211996272146,B,bcc,229.706715 +20,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,47.0,1.0,0.002817409519510419,-0.002817409519510419,B,bcc,229.707927 +21,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,49.0,1.0,0.00017151935479205508,0.00017151935479205508,B,bcc,229.714793 +22,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,51.0,1.0,0.0011196491627178137,-0.0011196491627178137,B,bcc,229.711827 +23,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,53.0,1.0,0.0020760541637244267,-0.0020760541637244267,B,bcc,229.70963 +24,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,55.0,1.0,0.0010121243401075039,-0.0010121243401075039,B,bcc,229.71207400000003 +25,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,57.0,1.0,0.0010121243401075039,-0.0010121243401075039,B,bcc,229.71207400000003 +26,Tetra,allKp,DMol3,Ta,LDA,229.714398995345,0.00116720649299248,59.0,1.0,3.613384939962548e-05,3.613384939962548e-05,B,bcc,229.714482 +0,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,7.0,2.0,0.4710802773571123,-0.4710802773571123,E0,bcc,11.135698 +1,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,9.0,2.0,0.010317524133939463,-0.010317524133939463,E0,bcc,11.18725 +2,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,11.0,2.0,0.06315794539898283,-0.06315794539898283,E0,bcc,11.181338 +3,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,13.0,2.0,0.01779848363983807,-0.01779848363983807,E0,bcc,11.186413 +4,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,15.0,2.0,0.00712672061709559,-0.00712672061709559,E0,bcc,11.187607 +5,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,17.0,2.0,0.0038286632005265367,-0.0038286632005265367,E0,bcc,11.187976 +6,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,19.0,2.0,0.0005037923090142818,-0.0005037923090142818,E0,bcc,11.188348 +7,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,21.0,2.0,0.0002737984640051625,0.0002737984640051625,E0,bcc,11.188435 +8,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,23.0,2.0,0.001105016186879257,0.001105016186879257,E0,bcc,11.188528 +9,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,25.0,2.0,0.0007832544877037247,0.0007832544877037247,E0,bcc,11.188492 +10,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,27.0,2.0,0.0008636949124857001,0.0008636949124857001,E0,bcc,11.188501 +11,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,29.0,2.0,0.000497244088441877,0.000497244088441877,E0,bcc,11.18846 +12,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,31.0,2.0,0.0004525549635577094,0.0004525549635577094,E0,bcc,11.188455 +13,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,33.0,2.0,0.000497244088441877,0.000497244088441877,E0,bcc,11.18846 +14,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,35.0,2.0,0.0002737984640051625,0.0002737984640051625,E0,bcc,11.188435 +15,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,37.0,2.0,0.00031848758888933,0.00031848758888933,E0,bcc,11.18844 +16,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,39.0,2.0,0.00012185543937994068,0.00012185543937994068,E0,bcc,11.188418 +17,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,41.0,2.0,0.00017548238926634455,0.00017548238926634455,E0,bcc,11.188424 +18,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,43.0,2.0,0.00018442021423682736,0.00018442021423682736,E0,bcc,11.188425 +19,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,45.0,2.0,0.00012185543937994068,0.00012185543937994068,E0,bcc,11.188418 +20,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,47.0,2.0,0.00015760673930950218,0.00015760673930950218,E0,bcc,11.188422 +21,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,49.0,2.0,9.504196445261551e-05,9.504196445261551e-05,E0,bcc,11.188415 +22,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,51.0,2.0,0.00011291761440945786,0.00011291761440945786,E0,bcc,11.188417 +23,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,53.0,2.0,0.00010397978943897504,0.00010397978943897504,E0,bcc,11.188416 +24,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,55.0,2.0,9.504196445261551e-05,9.504196445261551e-05,E0,bcc,11.188415 +25,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,57.0,2.0,9.504196445261551e-05,9.504196445261551e-05,E0,bcc,11.188415 +26,Tetra,allKp,DMol3,Ta,LDA,11.188404366320698,1.26558139395359e-06,59.0,2.0,6.822848952529032e-05,6.822848952529032e-05,E0,bcc,11.188412 +0,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,7.0,1.0,0.8149745325337059,-0.8149745325337059,v0,bcc,17.1715 +1,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,9.0,1.0,0.0721626480089972,-0.0721626480089972,v0,bcc,17.3001 +2,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,11.0,1.0,0.1328121409134281,-0.1328121409134281,v0,bcc,17.2896 +3,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,13.0,1.0,0.006392885657692897,0.006392885657692897,v0,bcc,17.3137 +4,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,15.0,1.0,0.019022139940355717,-0.019022139940355717,v0,bcc,17.3093 +5,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,17.0,1.0,0.021910211031036055,-0.021910211031036055,v0,bcc,17.3088 +6,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,19.0,1.0,0.006314627141341669,-0.006314627141341669,v0,bcc,17.3115 +7,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,21.0,1.0,0.004004170268776871,-0.004004170268776871,v0,bcc,17.3119 +8,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,23.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +9,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,25.0,1.0,0.004004170268776871,-0.004004170268776871,v0,bcc,17.3119 +10,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,27.0,1.0,3.912925817561337e-05,3.912925817561337e-05,v0,bcc,17.3126 +11,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,29.0,1.0,0.0016937133962325946,-0.0016937133962325946,v0,bcc,17.3123 +12,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,31.0,1.0,3.912925817561337e-05,3.912925817561337e-05,v0,bcc,17.3126 +13,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,33.0,1.0,0.0016937133962325946,-0.0016937133962325946,v0,bcc,17.3123 +14,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,35.0,1.0,0.0006167434763116826,0.0006167434763116826,v0,bcc,17.3127 +15,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,37.0,1.0,0.0011160991780965251,-0.0011160991780965251,v0,bcc,17.3124 +16,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,39.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +17,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,41.0,1.0,0.0011160991780965251,-0.0011160991780965251,v0,bcc,17.3124 +18,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,43.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +19,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,45.0,1.0,0.0011160991780965251,-0.0011160991780965251,v0,bcc,17.3124 +20,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,47.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +21,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,49.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +22,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,51.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +23,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,53.0,1.0,3.912925817561337e-05,3.912925817561337e-05,v0,bcc,17.3126 +24,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,55.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +25,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,57.0,1.0,0.0005384849599604558,-0.0005384849599604558,v0,bcc,17.3125 +26,Tetra,allKp,DMol3,Ta,LDA,17.3125932257107,2.548792645185461e-05,59.0,1.0,3.912925817561337e-05,3.912925817561337e-05,v0,bcc,17.3126 +0,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,7.0,1.0,4.4131608125082105,4.4131608125082105,dB,bcc,4.171251 +1,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,9.0,1.0,0.3086533810530668,-0.3086533810530668,dB,bcc,3.982617 +2,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,11.0,1.0,0.33778814883401026,0.33778814883401026,dB,bcc,4.008442 +3,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,13.0,1.0,2.196137490234316,-2.196137490234316,dB,bcc,3.907213 +4,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,15.0,1.0,0.10071573192346772,-0.10071573192346772,dB,bcc,3.990924 +5,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,17.0,1.0,0.5815210114288114,0.5815210114288114,dB,bcc,4.018179 +6,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,19.0,1.0,0.12411825922641838,0.12411825922641838,dB,bcc,3.999906 +7,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,21.0,1.0,0.0695013045171043,-0.0695013045171043,dB,bcc,3.992171 +8,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,23.0,1.0,0.12862598577919213,-0.12862598577919213,dB,bcc,3.989809 +9,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,25.0,1.0,0.22396938266183875,0.22396938266183875,dB,bcc,4.003895 +10,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,27.0,1.0,0.08244265092374685,-0.08244265092374685,dB,bcc,3.991654 +11,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,29.0,1.0,0.10461862895412052,0.10461862895412052,dB,bcc,3.999127 +12,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,31.0,1.0,0.03993896388606597,-0.03993896388606597,dB,bcc,3.993352 +13,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,33.0,1.0,0.07598245818197888,0.07598245818197888,dB,bcc,3.997983 +14,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,35.0,1.0,0.10254304002342758,-0.10254304002342758,dB,bcc,3.990851 +15,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,37.0,1.0,0.07903631555453798,0.07903631555453798,dB,bcc,3.998105 +16,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,39.0,1.0,0.0007394503990018543,-0.0007394503990018543,dB,bcc,3.994918 +17,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,41.0,1.0,0.08096375012573202,0.08096375012573202,dB,bcc,3.998182 +18,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,43.0,1.0,0.02697055051425419,0.02697055051425419,dB,bcc,3.996025 +19,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,45.0,1.0,0.06677082282870116,0.06677082282870116,dB,bcc,3.997615 +20,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,47.0,1.0,0.028998111556682405,0.028998111556682405,dB,bcc,3.996106 +21,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,49.0,1.0,0.018084326192468088,0.018084326192468088,dB,bcc,3.99567 +22,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,51.0,1.0,0.030249692447070743,0.030249692447070743,dB,bcc,3.996156 +23,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,53.0,1.0,0.0009897665770817452,-0.0009897665770817452,dB,bcc,3.994908 +24,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,55.0,1.0,0.018459800459593483,0.018459800459593483,dB,bcc,3.995685 +25,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,57.0,1.0,0.018459800459593483,0.018459800459593483,dB,bcc,3.995685 +26,Tetra,allKp,DMol3,Ta,LDA,3.9949475406555295,0.000323217103077761,59.0,1.0,8.862833599636164e-05,-8.862833599636164e-05,dB,bcc,3.994944 +0,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,7.0,1.0,0.5711666134974664,0.5711666134974664,B,hcp,333.820265 +1,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,9.0,1.0,0.6476237837893419,-0.6476237837893419,B,hcp,329.774802 +2,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,11.0,1.0,0.0891120055985657,-0.0891120055985657,B,hcp,331.628639 +3,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,13.0,1.0,0.03568959701276878,0.03568959701276878,B,hcp,332.042886 +4,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,15.0,1.0,0.054284499150795466,-0.054284499150795466,B,hcp,331.74424 +5,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,17.0,1.0,0.05239912366145078,0.05239912366145078,B,hcp,332.0983490000001 +6,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,19.0,1.0,0.019861301607374853,-0.019861301607374853,B,hcp,331.858499 +7,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,21.0,1.0,0.02776369637497865,0.02776369637497865,B,hcp,332.016578 +8,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,23.0,1.0,0.033156188982385155,0.033156188982385155,B,hcp,332.034477 +9,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,25.0,1.0,0.0011492106611701034,-0.0011492106611701034,B,hcp,331.920609 +10,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,27.0,1.0,0.002888756734604829,0.002888756734604829,B,hcp,331.934012 +11,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,29.0,1.0,0.032742547147475334,-0.032742547147475334,B,hcp,331.815743 +12,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,31.0,1.0,0.008362291886924922,0.008362291886924922,B,hcp,331.95218 +13,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,33.0,1.0,0.009824070429356414,0.009824070429356414,B,hcp,331.957032 +14,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,35.0,1.0,0.0032849378020129607,-0.0032849378020129607,B,hcp,331.91352 +15,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,37.0,1.0,0.014615221328053887,0.014615221328053887,B,hcp,331.972935 +16,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,39.0,1.0,0.0022148081362105888,0.0022148081362105888,B,hcp,331.931775 +17,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,41.0,1.0,0.001317615947553477,0.001317615947553477,B,hcp,331.9287970000001 +18,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,43.0,1.0,0.0051594543591702005,0.0051594543591702005,B,hcp,331.941549 +19,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,45.0,1.0,0.005639389432112663,-0.005639389432112663,B,hcp,331.9057049999999 +20,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,47.0,1.0,0.008747319293614568,0.008747319293614568,B,hcp,331.953458 +21,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,49.0,1.0,0.0014233694562207568,-0.0014233694562207568,B,hcp,331.9196990000001 +22,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,51.0,1.0,0.002666115691142761,0.002666115691142761,B,hcp,331.933273 +23,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,53.0,1.0,0.0021864884365043183,0.0021864884365043183,B,hcp,331.931681 +24,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,55.0,1.0,0.0007084476752691197,-0.0007084476752691197,B,hcp,331.922072 +25,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,57.0,1.0,0.0071876268957956095,0.0071876268957956095,B,hcp,331.948281 +26,Tetra,allKp,DMol3,Tc,LDA,331.924423510862,0.00703238143961707,59.0,1.0,0.0030622967585680182,-0.0030622967585680182,B,hcp,331.914259 +0,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,7.0,1.0,0.14623174701373778,-0.14623174701373778,E0,hcp,7.591222 +1,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,9.0,1.0,0.1325114122627302,0.1325114122627302,E0,hcp,7.612413 +2,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,11.0,1.0,0.019652283009334272,-0.019652283009334272,E0,hcp,7.600845 +3,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,13.0,1.0,0.005879332872678893,0.005879332872678893,E0,hcp,7.602786 +4,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,15.0,1.0,0.006339717497038394,0.006339717497038394,E0,hcp,7.602821 +5,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,17.0,1.0,0.0035914365425863937,-0.0035914365425863937,E0,hcp,7.6020660000000015 +6,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,19.0,1.0,0.00021089801520837568,-0.00021089801520837568,E0,hcp,7.602322999999998 +7,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,21.0,1.0,0.001985794335281927,0.001985794335281927,E0,hcp,7.602489999999999 +8,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,23.0,1.0,0.00028982109365665264,-0.00028982109365665264,E0,hcp,7.602317 +9,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,25.0,1.0,2.6744165464574954e-05,-2.6744165464574954e-05,E0,hcp,7.602336999999999 +10,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,27.0,1.0,0.0013017943219661688,0.0013017943219661688,E0,hcp,7.602438 +11,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,29.0,1.0,0.0010913327793984874,0.0010913327793984874,E0,hcp,7.602422 +12,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,31.0,1.0,0.0006844364859681353,-0.0006844364859681353,E0,hcp,7.602287 +13,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,33.0,1.0,0.0004994096909546294,0.0004994096909546294,E0,hcp,7.6023770000000015 +14,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,35.0,1.0,0.00018459032237281181,-0.00018459032237281181,E0,hcp,7.602325 +15,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,37.0,1.0,1.2717373759563515e-05,1.2717373759563515e-05,E0,hcp,7.602339999999999 +16,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,39.0,1.0,0.00010566724392453487,-0.00010566724392453487,E0,hcp,7.602330999999999 +17,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,41.0,1.0,1.2717373759563515e-05,1.2717373759563515e-05,E0,hcp,7.602339999999999 +18,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,43.0,1.0,0.00018371737710310681,0.00018371737710310681,E0,hcp,7.602353 +19,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,45.0,1.0,2.587122018318696e-05,2.587122018318696e-05,E0,hcp,7.602341 +20,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,47.0,1.0,6.620570468871341e-05,-6.620570468871341e-05,E0,hcp,7.602334 +21,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,49.0,1.0,0.0002757943019866901,0.0002757943019866901,E0,hcp,7.602360000000001 +22,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,51.0,1.0,0.00015828262954893082,-0.00015828262954893082,E0,hcp,7.602327000000002 +23,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,53.0,1.0,6.53327594190084e-05,6.53327594190084e-05,E0,hcp,7.602344 +24,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,55.0,1.0,3.902506659512744e-05,3.902506659512744e-05,E0,hcp,7.602342 +25,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,57.0,1.0,0.00017143647597255427,-0.00017143647597255427,E0,hcp,7.602326 +26,Tetra,allKp,DMol3,Tc,LDA,7.60233903318213,5.16997369197327e-06,59.0,1.0,0.0001311019914670278,0.0001311019914670278,E0,hcp,7.602349 +0,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,7.0,1.0,0.0894829353938743,0.0894829353938743,v0,hcp,14.0221 +1,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,9.0,1.0,0.05950341532706965,0.05950341532706965,v0,hcp,14.0179 +2,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,11.0,1.0,0.03971452013209358,-0.03971452013209358,v0,hcp,14.004000000000001 +3,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,13.0,1.0,0.0316652895507583,0.0316652895507583,v0,hcp,14.014000000000001 +4,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,15.0,1.0,0.013303990549435978,-0.013303990549435978,v0,hcp,14.0077 +5,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,17.0,1.0,0.008307403871635203,-0.008307403871635203,v0,hcp,14.0084 +6,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,19.0,1.0,0.004540961871273824,0.004540961871273824,v0,hcp,14.0102 +7,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,21.0,1.0,0.001883221000180689,-0.001883221000180689,v0,hcp,14.0093 +8,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,23.0,1.0,0.0009719713871394722,0.0009719713871394722,v0,hcp,14.0097 +9,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,25.0,1.0,0.001883221000180689,-0.001883221000180689,v0,hcp,14.0093 +10,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,27.0,1.0,0.0011694229033538187,-0.0011694229033538187,v0,hcp,14.0094 +11,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,29.0,1.0,0.0009719713871394722,0.0009719713871394722,v0,hcp,14.0097 +12,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,31.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +13,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,33.0,1.0,0.0016857694839663429,0.0016857694839663429,v0,hcp,14.0098 +14,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,35.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +15,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,37.0,1.0,0.0002581732903126017,0.0002581732903126017,v0,hcp,14.0096 +16,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,39.0,1.0,0.0009719713871394722,0.0009719713871394722,v0,hcp,14.0097 +17,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,41.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +18,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,43.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +19,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,45.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +20,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,47.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +21,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,49.0,1.0,0.0002581732903126017,0.0002581732903126017,v0,hcp,14.0096 +22,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,51.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +23,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,53.0,1.0,0.0009719713871394722,0.0009719713871394722,v0,hcp,14.0097 +24,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,55.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +25,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,57.0,1.0,0.0004556248065269483,-0.0004556248065269483,v0,hcp,14.0095 +26,Tetra,allKp,DMol3,Tc,LDA,14.0095638310481,3.36266177777915e-05,59.0,1.0,0.0002581732903126017,0.0002581732903126017,v0,hcp,14.0096 +0,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,7.0,1.0,1.0765514320105276,1.0765514320105276,dB,hcp,4.640725 +1,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,9.0,1.0,1.1214112112750163,-1.1214112112750163,dB,hcp,4.53981 +2,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,11.0,1.0,0.8485548710442491,0.8485548710442491,dB,hcp,4.630257 +3,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,13.0,1.0,0.11420133686490434,-0.11420133686490434,dB,hcp,4.586054 +4,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,15.0,1.0,0.2628598461164209,0.2628598461164209,dB,hcp,4.603366 +5,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,17.0,1.0,0.06820898010994125,0.06820898010994125,dB,hcp,4.594429 +6,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,19.0,1.0,0.10917007916684507,-0.10917007916684507,dB,hcp,4.586285 +7,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,21.0,1.0,0.07522224841633042,0.07522224841633042,dB,hcp,4.5947510000000005 +8,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,23.0,1.0,0.01915194901079212,-0.01915194901079212,dB,hcp,4.590418 +9,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,25.0,1.0,0.06627053017432784,0.06627053017432784,dB,hcp,4.59434 +10,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,27.0,1.0,0.10111906834267197,0.10111906834267197,dB,hcp,4.5959400000000015 +11,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,29.0,1.0,0.07081490684532568,-0.07081490684532568,dB,hcp,4.588046 +12,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,31.0,1.0,0.033404002614313616,0.033404002614313616,dB,hcp,4.5928309999999986 +13,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,33.0,1.0,0.024139646036134915,-0.024139646036134915,dB,hcp,4.590189 +14,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,35.0,1.0,0.03444945875937419,0.03444945875937419,dB,hcp,4.592879 +15,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,37.0,1.0,0.034405898086657685,0.034405898086657685,dB,hcp,4.592877 +16,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,39.0,1.0,0.05892284319538496,-0.05892284319538496,dB,hcp,4.588592 +17,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,41.0,1.0,0.01952992835606232,0.01952992835606232,dB,hcp,4.592194 +18,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,43.0,1.0,0.0117325679408922,0.0117325679408922,dB,hcp,4.591836 +19,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,45.0,1.0,0.014999618394184738,0.014999618394184738,dB,hcp,4.591986 +20,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,47.0,1.0,0.07528758942538584,0.07528758942538584,dB,hcp,4.594754 +21,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,49.0,1.0,0.02707999144407305,-0.02707999144407305,dB,hcp,4.590054 +22,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,51.0,1.0,0.027414410116646092,0.027414410116646092,dB,hcp,4.592556 +23,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,53.0,1.0,0.03969080619373929,-0.03969080619373929,dB,hcp,4.589475 +24,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,55.0,1.0,0.0059825591431267346,0.0059825591431267346,dB,hcp,4.591572 +25,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,57.0,1.0,0.034710822795653844,0.034710822795653844,dB,hcp,4.592891000000002 +26,Tetra,allKp,DMol3,Tc,LDA,4.59129732292222,0.000631977598459071,59.0,1.0,0.01050515547776633,-0.01050515547776633,dB,hcp,4.590815 +0,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,7.0,1.0,0.27465391968630803,0.27465391968630803,B,hcp,123.122125 +1,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,9.0,1.0,0.03459911251863796,-0.03459911251863796,B,hcp,122.742409 +2,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,11.0,1.0,0.14227769811933666,0.14227769811933666,B,hcp,122.959587 +3,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,13.0,1.0,0.029436425217755486,-0.029436425217755486,B,hcp,122.748748 +4,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,15.0,1.0,0.048516134225184485,-0.048516134225184485,B,hcp,122.725321 +5,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,17.0,1.0,0.06489355636331462,-0.06489355636331462,B,hcp,122.70521200000002 +6,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,19.0,1.0,0.0157743208680806,-0.0157743208680806,B,hcp,122.765523 +7,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,21.0,1.0,0.033416584682762485,0.033416584682762485,B,hcp,122.825922 +8,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,23.0,1.0,0.015788166219731288,-0.015788166219731288,B,hcp,122.765506 +9,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,25.0,1.0,0.00913588196768666,-0.00913588196768666,B,hcp,122.773674 +10,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,27.0,1.0,0.012285320333651996,0.012285320333651996,B,hcp,122.799976 +11,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,29.0,1.0,0.015648898270776347,-0.015648898270776347,B,hcp,122.765677 +12,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,31.0,1.0,0.0060532832258277615,0.0060532832258277615,B,hcp,122.792324 +13,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,33.0,1.0,0.004898389930045146,-0.004898389930045146,B,hcp,122.778877 +14,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,35.0,1.0,0.005207874261071561,-0.005207874261071561,B,hcp,122.778497 +15,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,37.0,1.0,0.0018296365398369429,0.0018296365398369429,B,hcp,122.78713799999998 +16,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,39.0,1.0,0.001946072298597368,-0.001946072298597368,B,hcp,122.782502 +17,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,41.0,1.0,0.0006039157025206992,0.0006039157025206992,B,hcp,122.785633 +18,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,43.0,1.0,0.0017725981867454754,-0.0017725981867454754,B,hcp,122.782715 +19,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,45.0,1.0,0.0016268147781833974,-0.0016268147781833974,B,hcp,122.782894 +20,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,47.0,1.0,0.0007008050824712932,-0.0007008050824712932,B,hcp,122.784031 +21,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,49.0,1.0,0.00019015593628002206,-0.00019015593628002206,B,hcp,122.784658 +22,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,51.0,1.0,1.2609662176563354e-05,-1.2609662176563354e-05,B,hcp,122.784876 +23,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,53.0,1.0,0.0007008050824712932,-0.0007008050824712932,B,hcp,122.784031 +24,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,55.0,1.0,0.0012864100956562925,0.0012864100956562925,B,hcp,122.786471 +25,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,57.0,1.0,0.0007008050824712932,-0.0007008050824712932,B,hcp,122.784031 +26,Tetra,allKp,DMol3,Ti,LDA,122.78489148276002,0.000585484300817768,59.0,1.0,0.0007008050824712932,-0.0007008050824712932,B,hcp,122.784031 +0,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,7.0,1.0,0.027847416907567292,0.027847416907567292,E0,hcp,5.7158050000000005 +1,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,9.0,1.0,0.0251082501040928,-0.0251082501040928,E0,hcp,5.712779 +2,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,11.0,1.0,0.006505515790359256,-0.006505515790359256,E0,hcp,5.713842 +3,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,13.0,1.0,0.003487110073371561,0.003487110073371561,E0,hcp,5.714413 +4,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,15.0,1.0,0.0028654699415624554,-0.0028654699415624554,E0,hcp,5.71405 +5,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,17.0,1.0,0.0005729410656506992,-0.0005729410656506992,E0,hcp,5.714181 +6,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,19.0,1.0,0.00035457061696225685,0.00035457061696225685,E0,hcp,5.7142339999999985 +7,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,21.0,1.0,0.0014829525278498995,-0.0014829525278498995,E0,hcp,5.714129 +8,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,23.0,1.0,0.0002929375388130021,-0.0002929375388130021,E0,hcp,5.714197 +9,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,25.0,1.0,0.000117935334551099,-0.000117935334551099,E0,hcp,5.714207 +10,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,27.0,1.0,0.00048543996351974755,-0.00048543996351974755,E0,hcp,5.714186 +11,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,29.0,1.0,6.543467327874537e-05,-6.543467327874537e-05,E0,hcp,5.71421 +12,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,31.0,1.0,0.00022293665711134957,-0.00022293665711134957,E0,hcp,5.714201 +13,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,33.0,1.0,4.793445284944639e-05,-4.793445284944639e-05,E0,hcp,5.714211 +14,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,35.0,1.0,8.293489370804435e-05,-8.293489370804435e-05,E0,hcp,5.7142089999999985 +15,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,37.0,1.0,0.00013543555498039798,-0.00013543555498039798,E0,hcp,5.714206 +16,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,39.0,1.0,1.2934011990848434e-05,-1.2934011990848434e-05,E0,hcp,5.714213 +17,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,41.0,1.0,6.543467327874537e-05,-6.543467327874537e-05,E0,hcp,5.71421 +18,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,43.0,1.0,6.543467327874537e-05,-6.543467327874537e-05,E0,hcp,5.71421 +19,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,45.0,1.0,3.0434232420147412e-05,-3.0434232420147412e-05,E0,hcp,5.714212 +20,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,47.0,1.0,1.2934011990848434e-05,-1.2934011990848434e-05,E0,hcp,5.714213 +21,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,49.0,1.0,6.543467327874537e-05,-6.543467327874537e-05,E0,hcp,5.71421 +22,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,51.0,1.0,3.0434232420147412e-05,-3.0434232420147412e-05,E0,hcp,5.714212 +23,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,53.0,1.0,1.2934011990848434e-05,-1.2934011990848434e-05,E0,hcp,5.714213 +24,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,55.0,1.0,6.543467327874537e-05,-6.543467327874537e-05,E0,hcp,5.71421 +25,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,57.0,1.0,1.2934011990848434e-05,-1.2934011990848434e-05,E0,hcp,5.714213 +26,Tetra,allKp,DMol3,Ti,LDA,5.71421373907709,6.41538591135616e-07,59.0,1.0,1.2934011990848434e-05,-1.2934011990848434e-05,E0,hcp,5.714213 +0,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,7.0,1.0,0.110242011683067,0.110242011683067,v0,hcp,16.1605 +1,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,9.0,1.0,0.011175069683786686,-0.011175069683786686,v0,hcp,16.1409 +2,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,11.0,1.0,0.037193015690952326,-0.037193015690952326,v0,hcp,16.1367 +3,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,13.0,1.0,0.011745501798743624,0.011745501798743624,v0,hcp,16.1446 +4,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,15.0,1.0,0.021706143067643638,-0.021706143067643638,v0,hcp,16.1392 +5,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,17.0,1.0,0.0025024210147241363,-0.0025024210147241363,v0,hcp,16.1423 +6,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,19.0,1.0,0.0036923280346125437,0.0036923280346125437,v0,hcp,16.1433 +7,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,21.0,1.0,0.004980320634450005,-0.004980320634450005,v0,hcp,16.1419 +8,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,23.0,1.0,0.0018829461097926688,-0.0018829461097926688,v0,hcp,16.1424 +9,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,25.0,1.0,0.0006439962999077267,-0.0006439962999077267,v0,hcp,16.1426 +10,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,27.0,1.0,0.0006439962999077267,-0.0006439962999077267,v0,hcp,16.1426 +11,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,29.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +12,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,31.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +13,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,33.0,1.0,0.0006439962999077267,-0.0006439962999077267,v0,hcp,16.1426 +14,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,35.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +15,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,37.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +16,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,39.0,1.0,0.001263471204861202,-0.001263471204861202,v0,hcp,16.1425 +17,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,41.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +18,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,43.0,1.0,0.0006439962999077267,-0.0006439962999077267,v0,hcp,16.1426 +19,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,45.0,1.0,0.0006439962999077267,-0.0006439962999077267,v0,hcp,16.1426 +20,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,47.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +21,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,49.0,1.0,0.0006439962999077267,-0.0006439962999077267,v0,hcp,16.1426 +22,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,51.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +23,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,53.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +24,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,55.0,1.0,0.0006439962999077267,-0.0006439962999077267,v0,hcp,16.1426 +25,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,57.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +26,Tetra,allKp,DMol3,Ti,LDA,16.1427039584162,2.15244825740126e-05,59.0,1.0,2.4521394976259345e-05,-2.4521394976259345e-05,v0,hcp,16.1427 +0,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,7.0,1.0,0.0984469465724781,0.0984469465724781,dB,hcp,3.693496 +1,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,9.0,1.0,1.8809487992566327,-1.8809487992566327,dB,hcp,3.620459 +2,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,11.0,1.0,1.9977855291394089,1.9977855291394089,dB,hcp,3.763579 +3,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,13.0,1.0,0.07204716787650131,-0.07204716787650131,dB,hcp,3.687205000000001 +4,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,15.0,1.0,0.824761088558313,0.824761088558313,dB,hcp,3.720296 +5,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,17.0,1.0,0.14286279672013838,-0.14286279672013838,dB,hcp,3.684592 +6,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,19.0,1.0,0.24156563646313176,-0.24156563646313176,dB,hcp,3.68095 +7,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,21.0,1.0,0.25268029664865393,0.25268029664865393,dB,hcp,3.699187 +8,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,23.0,1.0,0.0244875699501022,0.0244875699501022,dB,hcp,3.690767 +9,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,25.0,1.0,0.005218564168316156,0.005218564168316156,dB,hcp,3.690056 +10,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,27.0,1.0,0.035328079531979265,0.035328079531979265,dB,hcp,3.691167 +11,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,29.0,1.0,0.08581461504549745,-0.08581461504549745,dB,hcp,3.686697 +12,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,31.0,1.0,0.006980146975376893,0.006980146975376893,dB,hcp,3.690121 +13,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,33.0,1.0,0.006031602386962352,0.006031602386962352,dB,hcp,3.690086 +14,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,35.0,1.0,0.022316330169640013,-0.022316330169640013,dB,hcp,3.68904 +15,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,37.0,1.0,0.021584595772881302,-0.021584595772881302,dB,hcp,3.689067 +16,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,39.0,1.0,0.08283661277455781,0.08283661277455781,dB,hcp,3.69292 +17,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,41.0,1.0,0.005110159072494257,0.005110159072494257,dB,hcp,3.690052 +18,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,43.0,1.0,0.0051643616204112225,0.0051643616204112225,dB,hcp,3.690054 +19,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,45.0,1.0,0.04684612096273416,0.04684612096273416,dB,hcp,3.691592 +20,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,47.0,1.0,0.0032370333055392825,-0.0032370333055392825,dB,hcp,3.689744 +21,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,49.0,1.0,0.04080253687084679,0.04080253687084679,dB,hcp,3.691369 +22,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,51.0,1.0,0.017874859105170917,0.017874859105170917,dB,hcp,3.690523 +23,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,53.0,1.0,0.0032370333055392825,-0.0032370333055392825,dB,hcp,3.689744 +24,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,55.0,1.0,0.039040954063786056,0.039040954063786056,dB,hcp,3.691304 +25,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,57.0,1.0,0.0032370333055392825,-0.0032370333055392825,dB,hcp,3.689744 +26,Tetra,allKp,DMol3,Ti,LDA,3.68986344210855,0.000344065644527671,59.0,1.0,0.0032370333055392825,-0.0032370333055392825,dB,hcp,3.689744 +0,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,7.0,1.0,0.3833430097604261,-0.3833430097604261,B,bcc,218.472595 +1,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,9.0,1.0,1.766174676224774,-1.766174676224774,B,bcc,215.439861 +2,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,11.0,1.0,0.6148950485752859,0.6148950485752859,B,bcc,220.661864 +3,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,13.0,1.0,0.2893154319709058,-0.2893154319709058,B,bcc,218.67881 +4,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,15.0,1.0,0.17973770752803744,0.17973770752803744,B,bcc,219.707506 +5,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,17.0,1.0,0.10851884153420932,-0.10851884153420932,B,bcc,219.075321 +6,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,19.0,1.0,0.06953099367806713,0.06953099367806713,B,bcc,219.465808 +7,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,21.0,1.0,0.020851570621410517,-0.020851570621410517,B,bcc,219.267587 +8,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,23.0,1.0,0.003077456178648446,-0.003077456178648446,B,bcc,219.30656800000003 +9,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,25.0,1.0,0.01382165440027154,0.01382165440027154,B,bcc,219.34363 +10,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,27.0,1.0,0.004228073735957242,0.004228073735957242,B,bcc,219.32259 +11,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,29.0,1.0,0.02329921040308135,-0.02329921040308135,B,bcc,219.262219 +12,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,31.0,1.0,0.0076090813702588125,0.0076090813702588125,B,bcc,219.330005 +13,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,33.0,1.0,0.0314460025004799,-0.0314460025004799,B,bcc,219.244352 +14,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,35.0,1.0,0.008303065674978601,0.008303065674978601,B,bcc,219.331527 +15,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,37.0,1.0,0.010499258102273512,-0.010499258102273512,B,bcc,219.290291 +16,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,39.0,1.0,0.011143541822762115,-0.011143541822762115,B,bcc,219.288878 +17,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,41.0,1.0,0.006591150693825922,-0.006591150693825922,B,bcc,219.298862 +18,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,43.0,1.0,0.003603644015471265,-0.003603644015471265,B,bcc,219.305414 +19,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,45.0,1.0,0.004613614603458378,-0.004613614603458378,B,bcc,219.30319900000003 +20,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,47.0,1.0,0.002511143099513989,-0.002511143099513989,B,bcc,219.30781 +21,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,49.0,1.0,0.0030902233012251217,-0.0030902233012251217,B,bcc,219.30654 +22,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,51.0,1.0,0.0013320081376451,-0.0013320081376451,B,bcc,219.310396 +23,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,53.0,1.0,0.0011911138208603677,-0.0011911138208603677,B,bcc,219.310705 +24,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,55.0,1.0,0.004861205587342943,-0.004861205587342943,B,bcc,219.302656 +25,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,57.0,1.0,0.0008961020960526248,-0.0008961020960526248,B,bcc,219.311352 +26,Tetra,allKp,DMol3,V,LDA,219.313317271233,0.00228730014329227,59.0,1.0,0.0008961020960526248,-0.0008961020960526248,B,bcc,219.311352 +0,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,7.0,2.0,0.4528085927979969,-0.4528085927979969,E0,bcc,8.226806 +1,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,9.0,2.0,0.0551791535196047,-0.0551791535196047,E0,bcc,8.259667 +2,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,11.0,2.0,0.07048609003058086,-0.07048609003058086,E0,bcc,8.258402 +3,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,13.0,2.0,0.026223027771969592,-0.026223027771969592,E0,bcc,8.26206 +4,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,15.0,2.0,0.018309402097510773,-0.018309402097510773,E0,bcc,8.262714 +5,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,17.0,2.0,0.002470050403555737,-0.002470050403555737,E0,bcc,8.264023 +6,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,19.0,2.0,0.00403099491731567,-0.00403099491731567,E0,bcc,8.263894 +7,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,21.0,2.0,0.0005308351733105581,0.0005308351733105581,E0,bcc,8.264271 +8,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,23.0,2.0,1.3680354770226142e-05,-1.3680354770226142e-05,E0,bcc,8.264225999999999 +9,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,25.0,2.0,0.00013152378606564599,0.00013152378606564599,E0,bcc,8.264238 +10,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,27.0,2.0,0.0003735306874157773,0.0003735306874157773,E0,bcc,8.264258 +11,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,29.0,2.0,0.00027672792688002363,0.00027672792688002363,E0,bcc,8.26425 +12,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,31.0,2.0,0.0002646275818211149,0.0002646275818211149,E0,bcc,8.264249000000001 +13,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,33.0,2.0,0.000409831722613998,0.000409831722613998,E0,bcc,8.264261 +14,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,35.0,2.0,2.262068042799463e-05,2.262068042799463e-05,E0,bcc,8.264228999999998 +15,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,37.0,2.0,0.0002041258564620876,0.0002041258564620876,E0,bcc,8.264244 +16,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,39.0,2.0,0.0001557244761834635,0.0001557244761834635,E0,bcc,8.26424 +17,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,41.0,2.0,8.312240578702197e-05,8.312240578702197e-05,E0,bcc,8.264234 +18,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,43.0,2.0,8.312240578702197e-05,8.312240578702197e-05,E0,bcc,8.264234 +19,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,45.0,2.0,0.00014362413112455476,0.00014362413112455476,E0,bcc,8.264239 +20,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,47.0,2.0,4.682137058880119e-05,4.682137058880119e-05,E0,bcc,8.264231 +21,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,49.0,2.0,7.102206072811321e-05,7.102206072811321e-05,E0,bcc,8.264233 +22,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,51.0,2.0,4.682137058880119e-05,4.682137058880119e-05,E0,bcc,8.264231 +23,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,53.0,2.0,4.682137058880119e-05,4.682137058880119e-05,E0,bcc,8.264231 +24,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,55.0,2.0,0.00010732309592633399,0.00010732309592633399,E0,bcc,8.264236 +25,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,57.0,2.0,4.682137058880119e-05,4.682137058880119e-05,E0,bcc,8.264231 +26,Tetra,allKp,DMol3,V,LDA,8.26422713057559,1.4937480232905196e-06,59.0,2.0,4.682137058880119e-05,4.682137058880119e-05,E0,bcc,8.264231 +0,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,7.0,1.0,0.690508869415894,-0.690508869415894,v0,bcc,12.4872 +1,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,9.0,1.0,0.12267159070459263,-0.12267159070459263,v0,bcc,12.5586 +2,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,11.0,1.0,0.10994694580350052,-0.10994694580350052,v0,bcc,12.5602 +3,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,13.0,1.0,0.025646173333754886,-0.025646173333754886,v0,bcc,12.5708 +4,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,15.0,1.0,0.04234726976644355,-0.04234726976644355,v0,bcc,12.5687 +5,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,17.0,1.0,0.006165438918975323,0.006165438918975323,v0,bcc,12.5748 +6,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,19.0,1.0,0.00894507690106623,-0.00894507690106623,v0,bcc,12.5729 +7,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,21.0,1.0,0.0017874641442036984,-0.0017874641442036984,v0,bcc,12.5738 +8,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,23.0,1.0,0.000992173837887209,-0.000992173837887209,v0,bcc,12.5739 +9,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,25.0,1.0,0.0017874641442036984,-0.0017874641442036984,v0,bcc,12.5738 +10,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,27.0,1.0,0.0005984067747457693,0.0005984067747457693,v0,bcc,12.5741 +11,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,29.0,1.0,0.003378044756836677,-0.003378044756836677,v0,bcc,12.5736 +12,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,31.0,1.0,0.0005984067747457693,0.0005984067747457693,v0,bcc,12.5741 +13,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,33.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +14,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,35.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +15,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,37.0,1.0,0.000992173837887209,-0.000992173837887209,v0,bcc,12.5739 +16,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,39.0,1.0,0.0017874641442036984,-0.0017874641442036984,v0,bcc,12.5738 +17,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,41.0,1.0,0.000992173837887209,-0.000992173837887209,v0,bcc,12.5739 +18,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,43.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +19,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,45.0,1.0,0.000992173837887209,-0.000992173837887209,v0,bcc,12.5739 +20,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,47.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +21,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,49.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +22,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,51.0,1.0,0.000992173837887209,-0.000992173837887209,v0,bcc,12.5739 +23,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,53.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +24,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,55.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +25,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,57.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +26,Tetra,allKp,DMol3,V,LDA,12.574024756184,1.63685280696296e-05,59.0,1.0,0.0001968835315707201,-0.0001968835315707201,v0,bcc,12.574000000000002 +0,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,7.0,1.0,1.5798352423864699,-1.5798352423864699,dB,bcc,2.880755 +1,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,9.0,1.0,1.0448158533359355,-1.0448158533359355,dB,bcc,2.896415 +2,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,11.0,1.0,0.5928696137225922,0.5928696137225922,dB,bcc,2.94435 +3,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,13.0,1.0,0.16606529741203147,-0.16606529741203147,dB,bcc,2.922136 +4,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,15.0,1.0,1.474694993721504,1.474694993721504,dB,bcc,2.970161 +5,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,17.0,1.0,1.0858818370932026,-1.0858818370932026,dB,bcc,2.895213 +6,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,19.0,1.0,0.07354725746639604,-0.07354725746639604,dB,bcc,2.924844 +7,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,21.0,1.0,0.15822614836494414,0.15822614836494414,dB,bcc,2.931628 +8,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,23.0,1.0,0.19209880791372094,-0.19209880791372094,dB,bcc,2.921374 +9,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,25.0,1.0,0.11186463425628623,0.11186463425628623,dB,bcc,2.930271 +10,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,27.0,1.0,0.12831329071338676,-0.12831329071338676,dB,bcc,2.923241 +11,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,29.0,1.0,0.27975002875144445,0.27975002875144445,dB,bcc,2.935185 +12,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,31.0,1.0,0.11994293628698803,-0.11994293628698803,dB,bcc,2.923486 +13,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,33.0,1.0,0.0013759558278471267,0.0013759558278471267,dB,bcc,2.927037 +14,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,35.0,1.0,0.011538305287165042,-0.011538305287165042,dB,bcc,2.926659 +15,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,37.0,1.0,0.06550312014762838,0.06550312014762838,dB,bcc,2.928914 +16,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,39.0,1.0,0.06218914308902116,0.06218914308902116,dB,bcc,2.928817 +17,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,41.0,1.0,0.04456015172566447,0.04456015172566447,dB,bcc,2.928301 +18,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,43.0,1.0,0.0684908800986045,-0.0684908800986045,dB,bcc,2.924992 +19,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,45.0,1.0,0.011693698835080195,0.011693698835080195,dB,bcc,2.927339 +20,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,47.0,1.0,0.02020071210926078,0.02020071210926078,dB,bcc,2.927588 +21,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,49.0,1.0,0.007935580521193385,0.007935580521193385,dB,bcc,2.927229 +22,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,51.0,1.0,0.045414269524274416,0.045414269524274416,dB,bcc,2.928326 +23,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,53.0,1.0,0.06565520900721097,-0.06565520900721097,dB,bcc,2.925075 +24,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,55.0,1.0,0.00460286876243769,-0.00460286876243769,dB,bcc,2.926862 +25,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,57.0,1.0,0.01104456930813542,0.01104456930813542,dB,bcc,2.92732 +26,Tetra,allKp,DMol3,V,LDA,2.92699672581797,0.00043395572782548,59.0,1.0,0.01104456930813542,0.01104456930813542,dB,bcc,2.92732 +0,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,9.0,1.0,0.4755026885656809,-0.4755026885656809,B,bcc,334.046176 +1,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,11.0,1.0,0.33354465268328604,0.33354465268328604,B,bcc,336.76168 +2,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,13.0,1.0,0.11358034028522207,-0.11358034028522207,B,bcc,335.26094 +3,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,15.0,1.0,0.032388209933376,0.032388209933376,B,bcc,335.750872 +4,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,17.0,1.0,0.07990519088876448,-0.07990519088876448,B,bcc,335.373968 +5,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,19.0,1.0,0.011188549182886264,0.011188549182886264,B,bcc,335.679717 +6,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,21.0,1.0,0.018055094992531814,-0.018055094992531814,B,bcc,335.581563 +7,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,23.0,1.0,0.027422213733249472,-0.027422213733249472,B,bcc,335.550123 +8,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,25.0,1.0,0.004863367369058164,-0.004863367369058164,B,bcc,335.62584 +9,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,27.0,1.0,0.00329056139474266,-0.00329056139474266,B,bcc,335.631119 +10,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,29.0,1.0,0.011012170865636184,0.011012170865636184,B,bcc,335.679125 +11,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,31.0,1.0,0.013691221322212049,-0.013691221322212049,B,bcc,335.59621 +12,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,33.0,1.0,0.006818723612537815,-0.006818723612537815,B,bcc,335.619277 +13,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,35.0,1.0,0.002731036935602636,-0.002731036935602636,B,bcc,335.6329970000001 +14,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,37.0,1.0,0.00023223796880823607,0.00023223796880823607,B,bcc,335.642943 +15,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,39.0,1.0,0.007117553768283294,-0.007117553768283294,B,bcc,335.6182740000001 +16,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,41.0,1.0,0.0016808113134431366,-0.0016808113134431366,B,bcc,335.636522 +17,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,43.0,1.0,0.0030417845452374178,-0.0030417845452374178,B,bcc,335.631954 +18,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,45.0,1.0,0.003950490402726054,-0.003950490402726054,B,bcc,335.628904 +19,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,47.0,1.0,0.006981694794202651,-0.006981694794202651,B,bcc,335.61873 +20,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,49.0,1.0,0.0013042197711982386,-0.0013042197711982386,B,bcc,335.637786 +21,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,51.0,1.0,0.0028889431993691763,-0.0028889431993691763,B,bcc,335.632467 +22,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,53.0,1.0,0.0011397589078205265,-0.0011397589078205265,B,bcc,335.638338 +23,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,55.0,1.0,0.006477586495547125,-0.006477586495547125,B,bcc,335.620422 +24,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,57.0,1.0,0.0005608617592346346,0.0005608617592346346,B,bcc,335.644046 +25,Tetra,allKp,DMol3,W,LDA,335.642163511457,0.00423176310083962,59.0,1.0,0.0001768286352312442,-0.0001768286352312442,B,bcc,335.64157 +0,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,9.0,1.0,0.04671346384926039,0.04671346384926039,E0,bcc,9.376763 +1,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,11.0,1.0,0.042466945945515935,0.042466945945515935,E0,bcc,9.376365 +2,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,13.0,1.0,0.015334043862089263,0.015334043862089263,E0,bcc,9.373822 +3,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,15.0,1.0,0.016080918870275143,0.016080918870275143,E0,bcc,9.373892 +4,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,17.0,1.0,0.010724758097208634,0.010724758097208634,E0,bcc,9.37339 +5,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,19.0,1.0,0.004290963383756665,0.004290963383756665,E0,bcc,9.372787 +6,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,21.0,1.0,0.006478240193483141,0.006478240193483141,E0,bcc,9.372992 +7,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,23.0,1.0,0.0020396687161948943,0.0020396687161948943,E0,bcc,9.372576 +8,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,25.0,1.0,0.004280293740790434,0.004280293740790434,E0,bcc,9.372786 +9,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,27.0,1.0,0.0010687312055665198,0.0010687312055665198,E0,bcc,9.372485 +10,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,29.0,1.0,0.0014528383526351673,0.0014528383526351673,E0,bcc,9.372521 +11,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,31.0,1.0,0.0019329722864757151,0.0019329722864757151,E0,bcc,9.372566 +12,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,33.0,1.0,0.0007806508452508192,0.0007806508452508192,E0,bcc,9.372458 +13,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,35.0,1.0,0.0013354722799118505,0.0013354722799118505,E0,bcc,9.37251 +14,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,37.0,1.0,0.0004605615560174697,0.0004605615560174697,E0,bcc,9.372428 +15,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,39.0,1.0,0.0007699812022845872,0.0007699812022845872,E0,bcc,9.372457 +16,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,41.0,1.0,0.0007806508452508192,0.0007806508452508192,E0,bcc,9.372458 +17,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,43.0,1.0,0.00036453476926452265,0.00036453476926452265,E0,bcc,9.372419 +18,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,45.0,1.0,0.0007699812022845872,0.0007699812022845872,E0,bcc,9.372457 +19,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,47.0,1.0,0.00035386512627933765,0.00035386512627933765,E0,bcc,9.372418 +20,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,49.0,1.0,0.00037520441223075465,0.00037520441223075465,E0,bcc,9.37242 +21,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,51.0,1.0,0.00040721334114840365,0.00040721334114840365,E0,bcc,9.372423 +22,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,53.0,1.0,0.00017248119572072236,0.00017248119572072236,E0,bcc,9.372401 +23,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,55.0,1.0,0.0004498919130512378,0.0004498919130512378,E0,bcc,9.372427 +24,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,57.0,1.0,0.0001618115527544904,0.0001618115527544904,E0,bcc,9.3724 +25,Tetra,allKp,DMol3,W,LDA,9.37238483439857,5.57351640128489e-06,59.0,1.0,0.00020449012463837136,0.00020449012463837136,E0,bcc,9.372404 +0,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,9.0,1.0,0.011213610927090006,-0.011213610927090006,v0,bcc,15.5677 +1,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,11.0,1.0,0.04145364553278787,0.04145364553278787,v0,bcc,15.5759 +2,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,13.0,1.0,0.02090056984112014,0.02090056984112014,v0,bcc,15.5727 +3,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,15.0,1.0,0.016404584533568894,0.016404584533568894,v0,bcc,15.572000000000001 +4,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,17.0,1.0,0.004201195841652232,0.004201195841652232,v0,bcc,15.5701 +5,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,19.0,1.0,0.002221640311987515,-0.002221640311987515,v0,bcc,15.5691 +6,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,21.0,1.0,0.0054857630723779,0.0054857630723779,v0,bcc,15.5703 +7,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,23.0,1.0,0.0003474941494638201,0.0003474941494638201,v0,bcc,15.5695 +8,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,25.0,1.0,0.0035589122262893983,0.0035589122262893983,v0,bcc,15.57 +9,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,27.0,1.0,0.0009370730812618477,-0.0009370730812618477,v0,bcc,15.5693 +10,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,29.0,1.0,0.0003474941494638201,0.0003474941494638201,v0,bcc,15.5695 +11,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,31.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +12,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,33.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +13,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,35.0,1.0,0.0003474941494638201,0.0003474941494638201,v0,bcc,15.5695 +14,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,37.0,1.0,0.0003474941494638201,0.0003474941494638201,v0,bcc,15.5695 +15,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,39.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +16,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,41.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +17,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,43.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +18,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,45.0,1.0,0.0003474941494638201,0.0003474941494638201,v0,bcc,15.5695 +19,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,47.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +20,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,49.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +21,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,51.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +22,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,53.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +23,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,55.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +24,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,57.0,1.0,0.00029478946589901365,-0.00029478946589901365,v0,bcc,15.5694 +25,Tetra,allKp,DMol3,W,LDA,15.569445897086403,2.38799442750061e-05,59.0,1.0,0.0003474941494638201,0.0003474941494638201,v0,bcc,15.5695 +0,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,9.0,1.0,1.8363905544938268,1.8363905544938268,dB,bcc,4.26349 +1,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,11.0,1.0,0.06481298517003563,0.06481298517003563,dB,bcc,4.189321 +2,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,13.0,1.0,0.5508883860828954,-0.5508883860828954,dB,bcc,4.163544 +3,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,15.0,1.0,0.09770523378503562,-0.09770523378503562,dB,bcc,4.182517 +4,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,17.0,1.0,0.1113900761404032,0.1113900761404032,dB,bcc,4.191271 +5,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,19.0,1.0,0.22635189093035685,0.22635189093035685,dB,bcc,4.196084 +6,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,21.0,1.0,0.1455960375776371,-0.1455960375776371,dB,bcc,4.180512 +7,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,23.0,1.0,0.032232907178460904,0.032232907178460904,dB,bcc,4.187957 +8,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,25.0,1.0,0.10011768824042178,-0.10011768824042178,dB,bcc,4.182416 +9,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,27.0,1.0,0.04783026123161064,0.04783026123161064,dB,bcc,4.18861 +10,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,29.0,1.0,0.08879421559785704,0.08879421559785704,dB,bcc,4.190325 +11,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,31.0,1.0,0.03777438671956193,0.03777438671956193,dB,bcc,4.188189 +12,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,33.0,1.0,0.029462167407931613,0.029462167407931613,dB,bcc,4.1878410000000015 +13,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,35.0,1.0,0.010281960203180871,0.010281960203180871,dB,bcc,4.1870379999999985 +14,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,37.0,1.0,0.023134116857082363,-0.023134116857082363,dB,bcc,4.185639 +15,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,39.0,1.0,0.04212158187678888,0.04212158187678888,dB,bcc,4.188371 +16,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,41.0,1.0,0.01871360795323466,0.01871360795323466,dB,bcc,4.187391000000001 +17,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,43.0,1.0,0.028291768711737983,0.028291768711737983,dB,bcc,4.187792 +18,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,45.0,1.0,0.007296249243548727,0.007296249243548727,dB,bcc,4.186913 +19,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,47.0,1.0,0.007272363555889488,0.007272363555889488,dB,bcc,4.186912 +20,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,49.0,1.0,0.05265517014240419,0.05265517014240419,dB,bcc,4.188812 +21,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,51.0,1.0,0.013625956477998576,0.013625956477998576,dB,bcc,4.187178 +22,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,53.0,1.0,0.022009832852670254,0.022009832852670254,dB,bcc,4.1875290000000005 +23,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,55.0,1.0,0.020122863526169158,0.020122863526169158,dB,bcc,4.18745 +24,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,57.0,1.0,0.016802752939053117,0.016802752939053117,dB,bcc,4.187311 +25,Tetra,allKp,DMol3,W,LDA,4.18660753467942,0.00033424880926735,59.0,1.0,0.010379159637503285,-0.010379159637503285,dB,bcc,4.186173 +0,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,7.0,1.0,1.007163131365643,1.007163131365643,B,hcp,44.032306 +1,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,9.0,1.0,0.506975612082242,0.506975612082242,B,hcp,43.814258 +2,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,11.0,1.0,0.2835618983877917,-0.2835618983877917,B,hcp,43.469637 +3,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,13.0,1.0,0.2077038255085088,-0.2077038255085088,B,hcp,43.502706 +4,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,15.0,1.0,0.09634324007293088,0.09634324007293088,B,hcp,43.63525 +5,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,17.0,1.0,0.015414885440569185,-0.015414885440569185,B,hcp,43.586531 +6,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,19.0,1.0,0.05471523654877309,0.05471523654877309,B,hcp,43.617103 +7,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,21.0,1.0,0.058043043785719776,-0.058043043785719776,B,hcp,43.567948 +8,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,23.0,1.0,0.011801940846401428,-0.011801940846401428,B,hcp,43.588106 +9,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,25.0,1.0,0.030284849292905324,0.030284849292905324,B,hcp,43.606453 +10,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,27.0,1.0,0.02078567242655165,0.02078567242655165,B,hcp,43.602312 +11,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,29.0,1.0,0.013588914712334305,-0.013588914712334305,B,hcp,43.587327 +12,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,31.0,1.0,0.00748086058767156,0.00748086058767156,B,hcp,43.596512 +13,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,33.0,1.0,0.0059049285646889564,0.0059049285646889564,B,hcp,43.595825 +14,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,35.0,1.0,0.02172847892065084,0.02172847892065084,B,hcp,43.602723 +15,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,37.0,1.0,0.003984906580360922,0.003984906580360922,B,hcp,43.594988 +16,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,39.0,1.0,0.0011787367729718893,-0.0011787367729718893,B,hcp,43.592737 +17,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,41.0,1.0,0.0017705715064997192,-0.0017705715064997192,B,hcp,43.592479 +18,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,43.0,1.0,0.0060746796122836426,0.0060746796122836426,B,hcp,43.595899 +19,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,45.0,1.0,0.0158537163138632,0.0158537163138632,B,hcp,43.600162 +20,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,47.0,1.0,0.005888871033167218,0.005888871033167218,B,hcp,43.595818 +21,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,49.0,1.0,0.005969158690824807,0.005969158690824807,B,hcp,43.59585300000001 +22,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,51.0,1.0,0.0031728542715707144,0.0031728542715707144,B,hcp,43.594634 +23,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,53.0,1.0,0.005436966217260476,0.005436966217260476,B,hcp,43.595621 +24,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,55.0,1.0,0.010210640947736221,0.010210640947736221,B,hcp,43.59770200000001 +25,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,57.0,1.0,0.005969158690824807,0.005969158690824807,B,hcp,43.59585300000001 +26,Tetra,allKp,DMol3,Y,LDA,43.5932508496783,0.00118982739761661,59.0,1.0,0.0046242242526311345,-0.0046242242526311345,B,hcp,43.591235 +0,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,7.0,1.0,0.03278853181981498,-0.03278853181981498,E0,hcp,6.659814999999999 +1,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,9.0,1.0,0.021860881434798918,-0.021860881434798918,E0,hcp,6.660543 +2,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,11.0,1.0,0.013909160965579443,0.013909160965579443,E0,hcp,6.662926 +3,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,13.0,1.0,0.002396100738520847,0.002396100738520847,E0,hcp,6.662159 +4,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,15.0,1.0,0.0013153441070320787,0.0013153441070320787,E0,hcp,6.662087 +5,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,17.0,1.0,0.0008650288439306456,0.0008650288439306456,E0,hcp,6.662057000000001 +6,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,19.0,1.0,0.00017069626123997978,-0.00017069626123997978,E0,hcp,6.661988000000001 +7,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,21.0,1.0,0.0008650288439306456,0.0008650288439306456,E0,hcp,6.662057000000001 +8,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,23.0,1.0,0.0007599552825216466,0.0007599552825216466,E0,hcp,6.66205 +9,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,25.0,1.0,5.446137029740469e-05,5.446137029740469e-05,E0,hcp,6.662003 +10,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,27.0,1.0,8.448238785616504e-05,8.448238785616504e-05,E0,hcp,6.6620050000000015 +11,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,29.0,1.0,0.00026460849308873905,0.00026460849308873905,E0,hcp,6.662017 +12,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,31.0,1.0,6.947187907011886e-05,6.947187907011886e-05,E0,hcp,6.662004 +13,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,33.0,1.0,0.00014452442292035768,0.00014452442292035768,E0,hcp,6.6620089999999985 +14,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,35.0,1.0,9.4298439925942e-06,9.4298439925942e-06,E0,hcp,6.662000000000001 +15,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,37.0,1.0,2.444035275197636e-05,2.444035275197636e-05,E0,hcp,6.662000999999999 +16,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,39.0,1.0,3.945086153802254e-05,3.945086153802254e-05,E0,hcp,6.662002 +17,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,41.0,1.0,9.94928966155472e-05,9.94928966155472e-05,E0,hcp,6.662006 +18,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,43.0,1.0,2.444035275197636e-05,2.444035275197636e-05,E0,hcp,6.662000999999999 +19,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,45.0,1.0,6.562269985764463e-05,-6.562269985764463e-05,E0,hcp,6.661995 +20,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,47.0,1.0,9.4298439925942e-06,9.4298439925942e-06,E0,hcp,6.662000000000001 +21,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,49.0,1.0,5.58066476678796e-06,-5.58066476678796e-06,E0,hcp,6.661999000000002 +22,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,51.0,1.0,2.444035275197636e-05,2.444035275197636e-05,E0,hcp,6.662000999999999 +23,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,53.0,1.0,5.58066476678796e-06,-5.58066476678796e-06,E0,hcp,6.661999000000002 +24,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,55.0,1.0,2.059117355283414e-05,-2.059117355283414e-05,E0,hcp,6.661998 +25,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,57.0,1.0,5.58066476678796e-06,-5.58066476678796e-06,E0,hcp,6.661999000000002 +26,Tetra,allKp,DMol3,Y,LDA,6.661999371783852,9.17630915118338e-07,59.0,1.0,3.945086153802254e-05,3.945086153802254e-05,E0,hcp,6.662002 +0,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,7.0,1.0,0.20625030664049476,-0.20625030664049476,v0,hcp,29.8054 +1,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,9.0,1.0,0.05658680233277165,-0.05658680233277165,v0,hcp,29.8501 +2,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,11.0,1.0,0.003685608416402439,-0.003685608416402439,v0,hcp,29.8659 +3,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,13.0,1.0,0.03114065842362977,-0.03114065842362977,v0,hcp,29.8577 +4,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,15.0,1.0,0.03917105500951572,0.03917105500951572,v0,hcp,29.8787 +5,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,17.0,1.0,0.00033743158624812184,-0.00033743158624812184,v0,hcp,29.8669 +6,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,19.0,1.0,0.004684833658977405,0.004684833658977405,v0,hcp,29.8684 +7,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,21.0,1.0,0.0040204260994166794,-0.0040204260994166794,v0,hcp,29.8658 +8,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,23.0,1.0,0.002341109877865816,0.002341109877865816,v0,hcp,29.8677 +9,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,25.0,1.0,0.0016714745118373312,0.0016714745118373312,v0,hcp,29.8675 +10,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,27.0,1.0,0.001336656828823089,0.001336656828823089,v0,hcp,29.8674 +11,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,29.0,1.0,0.001336656828823089,0.001336656828823089,v0,hcp,29.8674 +12,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,31.0,1.0,0.00033220377978036256,0.00033220377978036256,v0,hcp,29.8671 +13,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,33.0,1.0,0.0010018391458088466,0.0010018391458088466,v0,hcp,29.8673 +14,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,35.0,1.0,0.00033220377978036256,0.00033220377978036256,v0,hcp,29.8671 +15,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,37.0,1.0,0.001336656828823089,0.001336656828823089,v0,hcp,29.8674 +16,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,39.0,1.0,0.00033743158624812184,-0.00033743158624812184,v0,hcp,29.8669 +17,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,41.0,1.0,0.0010018391458088466,0.0010018391458088466,v0,hcp,29.8673 +18,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,43.0,1.0,0.0010018391458088466,0.0010018391458088466,v0,hcp,29.8673 +19,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,45.0,1.0,0.0006670214627946048,0.0006670214627946048,v0,hcp,29.8672 +20,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,47.0,1.0,0.00033220377978036256,0.00033220377978036256,v0,hcp,29.8671 +21,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,49.0,1.0,2.6139032338796364e-06,-2.6139032338796364e-06,v0,hcp,29.866999999999997 +22,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,51.0,1.0,0.00033220377978036256,0.00033220377978036256,v0,hcp,29.8671 +23,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,53.0,1.0,0.00033220377978036256,0.00033220377978036256,v0,hcp,29.8671 +24,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,55.0,1.0,2.6139032338796364e-06,-2.6139032338796364e-06,v0,hcp,29.866999999999997 +25,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,57.0,1.0,2.6139032338796364e-06,-2.6139032338796364e-06,v0,hcp,29.866999999999997 +26,Tetra,allKp,DMol3,Y,LDA,29.8670007806945,3.2850299775283304e-05,59.0,1.0,0.00033220377978036256,0.00033220377978036256,v0,hcp,29.8671 +0,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,7.0,1.0,7.922705267663043,7.922705267663043,dB,hcp,3.947471 +1,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,9.0,1.0,2.6987431836543294,2.6987431836543294,dB,hcp,3.756395 +2,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,11.0,1.0,2.088302178966424,2.088302178966424,dB,hcp,3.734067 +3,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,13.0,1.0,0.00725827020458875,0.00725827020458875,dB,hcp,3.657949 +4,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,15.0,1.0,1.3025051305291786,-1.3025051305291786,dB,hcp,3.610042 +5,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,17.0,1.0,0.22936605962078574,0.22936605962078574,dB,hcp,3.666073 +6,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,19.0,1.0,0.14871476507597478,-0.14871476507597478,dB,hcp,3.652244 +7,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,21.0,1.0,0.21197800520563176,0.21197800520563176,dB,hcp,3.665437 +8,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,23.0,1.0,0.06994822110701165,0.06994822110701165,dB,hcp,3.660242 +9,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,25.0,1.0,0.031673474272105845,-0.031673474272105845,dB,hcp,3.656525 +10,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,27.0,1.0,0.018167658421337364,-0.018167658421337364,dB,hcp,3.657019 +11,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,29.0,1.0,0.11787557422645978,-0.11787557422645978,dB,hcp,3.653372 +12,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,31.0,1.0,0.056032309633259836,0.056032309633259836,dB,hcp,3.659733 +13,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,33.0,1.0,0.001873192334175341,-0.001873192334175341,dB,hcp,3.657615 +14,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,35.0,1.0,0.020736746347153487,0.020736746347153487,dB,hcp,3.658442 +15,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,37.0,1.0,0.07744014579876557,-0.07744014579876557,dB,hcp,3.654851 +16,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,39.0,1.0,0.0013255535252015384,0.0013255535252015384,dB,hcp,3.657732 +17,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,41.0,1.0,0.029732354989907006,-0.029732354989907006,dB,hcp,3.656596 +18,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,43.0,1.0,0.029951072655512695,-0.029951072655512695,dB,hcp,3.656588 +19,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,45.0,1.0,0.018277017254128062,-0.018277017254128062,dB,hcp,3.657015 +20,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,47.0,1.0,0.003158158619581411,-0.003158158619581411,dB,hcp,3.657568 +21,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,49.0,1.0,0.040530695083909316,0.040530695083909316,dB,hcp,3.659166 +22,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,51.0,1.0,0.011824001473982935,0.011824001473982935,dB,hcp,3.658116 +23,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,53.0,1.0,0.006547437791400634,0.006547437791400634,dB,hcp,3.657923 +24,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,55.0,1.0,0.015624220913781515,0.015624220913781515,dB,hcp,3.658255000000001 +25,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,57.0,1.0,0.040530695083909316,0.040530695083909316,dB,hcp,3.659166 +26,Tetra,allKp,DMol3,Y,LDA,3.65768351544722,0.0005771055435668572,59.0,1.0,0.041023654476475616,-0.041023654476475616,dB,hcp,3.656183 +0,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,7.0,1.0,1.7241997804266642,1.7241997804266642,B,hcp,95.329529 +1,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,9.0,1.0,0.5400834657318165,-0.5400834657318165,B,hcp,93.207585 +2,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,11.0,1.0,0.13717980241575356,-0.13717980241575356,B,hcp,93.585161 +3,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,13.0,1.0,0.347106824039191,0.347106824039191,B,hcp,94.039004 +4,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,15.0,1.0,0.10955311045637496,-0.10955311045637496,B,hcp,93.611051 +5,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,17.0,1.0,0.3533050462457949,-0.3533050462457949,B,hcp,93.382622 +6,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,19.0,1.0,0.07917379645790686,0.07917379645790686,B,hcp,93.787914 +7,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,21.0,1.0,0.09521156005335957,-0.09521156005335957,B,hcp,93.624491 +8,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,23.0,1.0,0.15622610696510944,-0.15622610696510944,B,hcp,93.567312 +9,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,25.0,1.0,0.004614364196473054,-0.004614364196473054,B,hcp,93.709393 +10,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,27.0,1.0,0.008721997182750057,0.008721997182750057,B,hcp,93.721891 +11,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,29.0,1.0,0.03816014693601591,-0.03816014693601591,B,hcp,93.677956 +12,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,31.0,1.0,0.03788163914917731,-0.03788163914917731,B,hcp,93.678217 +13,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,33.0,1.0,0.026944072807595032,-0.026944072807595032,B,hcp,93.688467 +14,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,35.0,1.0,0.008811188432715486,-0.008811188432715486,B,hcp,93.70546 +15,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,37.0,1.0,0.04174340037748898,-0.04174340037748898,B,hcp,93.674598 +16,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,39.0,1.0,0.029845462357131994,-0.029845462357131994,B,hcp,93.685748 +17,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,41.0,1.0,0.005837237467450224,-0.005837237467450224,B,hcp,93.708247 +18,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,43.0,1.0,0.03193587137792756,-0.03193587137792756,B,hcp,93.683789 +19,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,45.0,1.0,0.01941049052744585,-0.01941049052744585,B,hcp,93.695527 +20,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,47.0,1.0,0.011627211610809185,-0.011627211610809185,B,hcp,93.702821 +21,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,49.0,1.0,0.03609854906558662,-0.03609854906558662,B,hcp,93.679888 +22,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,51.0,1.0,0.014697199743967078,-0.014697199743967078,B,hcp,93.699944 +23,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,53.0,1.0,0.002825315075079427,0.002825315075079427,B,hcp,93.716365 +24,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,55.0,1.0,0.027792401123856128,-0.027792401123856128,B,hcp,93.687672 +25,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,57.0,1.0,0.014657717797151444,-0.014657717797151444,B,hcp,93.699981 +26,Tetra,allKp,DMol3,Zn,LDA,93.71371729221792,0.00589443097763231,59.0,1.0,0.0046190759551043205,0.0046190759551043205,B,hcp,93.718046 +0,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,7.0,1.0,0.0872604431989531,-0.0872604431989531,E0,hcp,25.659304 +1,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,9.0,1.0,0.041395300062671794,0.041395300062671794,E0,hcp,25.692345 +2,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,11.0,1.0,0.003960103920991659,0.003960103920991659,E0,hcp,25.682731 +3,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,13.0,1.0,0.015022273985268038,-0.015022273985268038,E0,hcp,25.677856 +4,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,15.0,1.0,0.0021300079997597933,0.0021300079997597933,E0,hcp,25.682261 +5,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,17.0,1.0,0.0038861213199142563,0.0038861213199142563,E0,hcp,25.682712 +6,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,19.0,1.0,0.00340311179608172,-0.00340311179608172,E0,hcp,25.68084 +7,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,21.0,1.0,0.000638498808703618,-0.000638498808703618,E0,hcp,25.68155 +8,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,23.0,1.0,0.0007321262216395838,0.0007321262216395838,E0,hcp,25.681902 +9,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,25.0,1.0,0.0005333656387777293,-0.0005333656387777293,E0,hcp,25.681577 +10,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,27.0,1.0,0.0004321262899371508,-0.0004321262899371508,E0,hcp,25.681603 +11,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,29.0,1.0,0.00010504531677905132,-0.00010504531677905132,E0,hcp,25.681687 +12,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,31.0,1.0,0.00013230206454222627,-0.00013230206454222627,E0,hcp,25.68168 +13,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,33.0,1.0,0.00011283295899117258,-0.00011283295899117258,E0,hcp,25.681685 +14,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,35.0,1.0,0.00011672678010415005,-0.00011672678010415005,E0,hcp,25.681684 +15,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,37.0,1.0,2.716889460250391e-05,-2.716889460250391e-05,E0,hcp,25.681707 +16,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,39.0,1.0,3.495653682845883e-05,-3.495653682845883e-05,E0,hcp,25.681705 +17,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,41.0,1.0,4.663800015355758e-05,-4.663800015355758e-05,E0,hcp,25.681702 +18,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,43.0,1.0,3.106271571548137e-05,-3.106271571548137e-05,E0,hcp,25.681706 +19,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,45.0,1.0,2.716889460250391e-05,-2.716889460250391e-05,E0,hcp,25.681707 +20,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,47.0,1.0,1.1593610164427705e-05,-1.1593610164427705e-05,E0,hcp,25.681711 +21,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,49.0,1.0,1.5487431277405162e-05,-1.5487431277405162e-05,E0,hcp,25.68171 +22,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,51.0,1.0,1.938125239038262e-05,-1.938125239038262e-05,E0,hcp,25.681709 +23,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,53.0,1.0,3.106271571548137e-05,-3.106271571548137e-05,E0,hcp,25.681706 +24,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,55.0,1.0,2.327507348952645e-05,-2.327507348952645e-05,E0,hcp,25.681708 +25,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,57.0,1.0,8.785317450467501e-08,8.785317450467501e-08,E0,hcp,25.681714000000003 +26,Tetra,allKp,DMol3,Zn,LDA,25.681713977437802,2.7252836361366403e-06,59.0,1.0,2.327507348952645e-05,-2.327507348952645e-05,E0,hcp,25.681708 +0,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,7.0,1.0,0.13726871916187675,-0.13726871916187675,v0,hcp,13.8149 +1,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,9.0,1.0,0.14970769267239334,0.14970769267239334,v0,hcp,13.8546 +2,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,11.0,1.0,0.08320434282666893,0.08320434282666893,v0,hcp,13.8454 +3,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,13.0,1.0,0.04112800688489722,-0.04112800688489722,v0,hcp,13.8282 +4,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,15.0,1.0,0.02609820545914861,0.02609820545914861,v0,hcp,13.8375 +5,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,17.0,1.0,0.02320675546585011,0.02320675546585011,v0,hcp,13.8371 +6,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,19.0,1.0,0.005135193007776174,0.005135193007776174,v0,hcp,13.8346 +7,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,21.0,1.0,0.002243743014477666,0.002243743014477666,v0,hcp,13.8342 +8,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,23.0,1.0,0.02176103046920728,0.02176103046920728,v0,hcp,13.8369 +9,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,25.0,1.0,0.0035391569721065076,-0.0035391569721065076,v0,hcp,13.8334 +10,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,27.0,1.0,0.0013705694771294177,-0.0013705694771294177,v0,hcp,13.8337 +11,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,29.0,1.0,0.011640955492681765,0.011640955492681765,v0,hcp,13.8355 +12,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,31.0,1.0,0.002966605512811923,0.002966605512811923,v0,hcp,13.8343 +13,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,33.0,1.0,0.0020934319754508345,-0.0020934319754508345,v0,hcp,13.8336 +14,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,35.0,1.0,0.005135193007776174,0.005135193007776174,v0,hcp,13.8346 +15,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,37.0,1.0,0.0007980180178348324,0.0007980180178348324,v0,hcp,13.834000000000001 +16,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,39.0,1.0,0.0020934319754508345,-0.0020934319754508345,v0,hcp,13.8336 +17,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,41.0,1.0,0.002243743014477666,0.002243743014477666,v0,hcp,13.8342 +18,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,43.0,1.0,0.002243743014477666,0.002243743014477666,v0,hcp,13.8342 +19,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,45.0,1.0,0.0006477069788080009,-0.0006477069788080009,v0,hcp,13.8338 +20,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,47.0,1.0,0.002243743014477666,0.002243743014477666,v0,hcp,13.8342 +21,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,49.0,1.0,0.002243743014477666,0.002243743014477666,v0,hcp,13.8342 +22,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,51.0,1.0,0.0013705694771294177,-0.0013705694771294177,v0,hcp,13.8337 +23,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,53.0,1.0,0.001520880516156249,0.001520880516156249,v0,hcp,13.8341 +24,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,55.0,1.0,0.002243743014477666,0.002243743014477666,v0,hcp,13.8342 +25,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,57.0,1.0,0.0013705694771294177,-0.0013705694771294177,v0,hcp,13.8337 +26,Tetra,allKp,DMol3,Zn,LDA,13.8338896030684,9.87054570356932e-05,59.0,1.0,0.0007980180178348324,0.0007980180178348324,v0,hcp,13.834000000000001 +0,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,7.0,1.0,2.701159637868885,-2.701159637868885,dB,hcp,5.0266660000000005 +1,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,9.0,1.0,0.1431671580974565,0.1431671580974565,dB,hcp,5.17361 +2,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,11.0,1.0,1.2865646453818502,-1.2865646453818502,dB,hcp,5.099747 +3,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,13.0,1.0,0.6739302874472977,-0.6739302874472977,dB,hcp,5.131397 +4,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,15.0,1.0,0.35615403928894346,-0.35615403928894346,dB,hcp,5.147814 +5,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,17.0,1.0,0.07207751995095564,-0.07207751995095564,dB,hcp,5.16249 +6,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,19.0,1.0,0.6705428936830373,-0.6705428936830373,dB,hcp,5.131572 +7,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,21.0,1.0,0.05583046858716429,0.05583046858716429,dB,hcp,5.169098 +8,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,23.0,1.0,0.031867077272065225,0.031867077272065225,dB,hcp,5.16786 +9,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,25.0,1.0,0.06106365108319847,-0.06106365108319847,dB,hcp,5.163059 +10,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,27.0,1.0,0.10153816743203407,-0.10153816743203407,dB,hcp,5.160968 +11,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,29.0,1.0,0.05887636253826861,-0.05887636253826861,dB,hcp,5.163172 +12,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,31.0,1.0,0.02540891214746611,-0.02540891214746611,dB,hcp,5.164901 +13,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,33.0,1.0,0.008639234317203206,0.008639234317203206,dB,hcp,5.16666 +14,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,35.0,1.0,0.006142241199550079,0.006142241199550079,dB,hcp,5.166531 +15,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,37.0,1.0,0.0823102095557149,0.0823102095557149,dB,hcp,5.170466 +16,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,39.0,1.0,0.008155320922294129,0.008155320922294129,dB,hcp,5.1666349999999985 +17,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,41.0,1.0,0.06012761953381316,0.06012761953381316,dB,hcp,5.16932 +18,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,43.0,1.0,0.013710646695685969,0.013710646695685969,dB,hcp,5.1669220000000005 +19,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,45.0,1.0,0.030693246419714368,-0.030693246419714368,dB,hcp,5.164628 +20,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,47.0,1.0,0.03289297366922708,0.03289297366922708,dB,hcp,5.167913 +21,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,49.0,1.0,0.04290030267562082,0.04290030267562082,dB,hcp,5.16843 +22,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,51.0,1.0,0.03126702466239998,0.03126702466239998,dB,hcp,5.167829 +23,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,53.0,1.0,0.028073196256106662,0.028073196256106662,dB,hcp,5.167664 +24,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,55.0,1.0,0.015362870069492713,-0.015362870069492713,dB,hcp,5.16542 +25,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,57.0,1.0,0.039493552375579215,0.039493552375579215,dB,hcp,5.168254 +26,Tetra,allKp,DMol3,Zn,LDA,5.16621367869497,0.000681857778228473,59.0,1.0,0.017724367436574046,-0.017724367436574046,dB,hcp,5.165298 +0,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,7.0,1.0,1.4946824392578857,-1.4946824392578857,B,hcp,99.985333 +1,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,9.0,1.0,0.29173315530658883,0.29173315530658883,B,hcp,101.798589 +2,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,11.0,1.0,0.12034718264413033,0.12034718264413033,B,hcp,101.624628 +3,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,13.0,1.0,0.06191537234535826,-0.06191537234535826,B,hcp,101.439627 +4,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,15.0,1.0,0.0408311569123089,-0.0408311569123089,B,hcp,101.461028 +5,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,17.0,1.0,0.015859351455484734,-0.015859351455484734,B,hcp,101.486375 +6,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,19.0,1.0,0.03912157516814798,0.03912157516814798,B,hcp,101.542182 +7,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,21.0,1.0,0.016510567118356412,-0.016510567118356412,B,hcp,101.485714 +8,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,23.0,1.0,0.010237813524496963,-0.010237813524496963,B,hcp,101.492081 +9,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,25.0,1.0,0.031577916574121186,0.031577916574121186,B,hcp,101.534525 +10,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,27.0,1.0,0.01188874104822711,0.01188874104822711,B,hcp,101.51454 +11,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,29.0,1.0,0.00044961084903501853,0.00044961084903501853,B,hcp,101.502929 +12,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,31.0,1.0,0.008040822710252358,-0.008040822710252358,B,hcp,101.494311 +13,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,33.0,1.0,0.01289364267626542,0.01289364267626542,B,hcp,101.51556 +14,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,35.0,1.0,0.006014992512561196,0.006014992512561196,B,hcp,101.508578 +15,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,37.0,1.0,0.008630956117302128,-0.008630956117302128,B,hcp,101.493712 +16,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,39.0,1.0,0.004558870349570006,0.004558870349570006,B,hcp,101.5071 +17,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,41.0,1.0,0.005975584605580674,0.005975584605580674,B,hcp,101.508538 +18,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,43.0,1.0,0.002127402488786395,0.002127402488786395,B,hcp,101.504632 +19,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,45.0,1.0,0.001420294337258653,-0.001420294337258653,B,hcp,101.501031 +20,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,47.0,1.0,0.0005523351859871049,-0.0005523351859871049,B,hcp,101.501912 +21,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,49.0,1.0,0.002811129674920153,0.002811129674920153,B,hcp,101.505326 +22,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,51.0,1.0,0.002811129674920153,0.002811129674920153,B,hcp,101.505326 +23,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,53.0,1.0,0.002127402488786395,0.002127402488786395,B,hcp,101.504632 +24,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,55.0,1.0,0.0011542909651436294,-0.0011542909651436294,B,hcp,101.501301 +25,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,57.0,1.0,0.002811129674920153,0.002811129674920153,B,hcp,101.505326 +26,Tetra,allKp,DMol3,Zr,LDA,101.50247263387101,0.00100251397560281,59.0,1.0,0.0006331213953062753,-0.0006331213953062753,B,hcp,101.50183 +0,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,7.0,1.0,0.1328311483132166,0.1328311483132166,E0,hcp,4.908359 +1,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,9.0,1.0,0.015765876086250213,-0.015765876086250213,E0,hcp,4.901075 +2,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,11.0,1.0,0.017520316517097574,-0.017520316517097574,E0,hcp,4.900989 +3,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,13.0,1.0,0.0026353479676085945,0.0026353479676085945,E0,hcp,4.901977 +4,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,15.0,1.0,0.0020437343339558198,0.0020437343339558198,E0,hcp,4.901948 +5,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,17.0,1.0,0.0011387390057460713,-0.0011387390057460713,E0,hcp,4.901792 +6,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,19.0,1.0,0.0012815422966134054,-0.0012815422966134054,E0,hcp,4.901785 +7,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,21.0,1.0,0.00028929390310845866,0.00028929390310845866,E0,hcp,4.901862 +8,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,23.0,1.0,0.0004451230214478881,-0.0004451230214478881,E0,hcp,4.901826 +9,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,25.0,1.0,0.0007307296032006749,-0.0007307296032006749,E0,hcp,4.9018120000000005 +10,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,27.0,1.0,0.0004451230214478881,-0.0004451230214478881,E0,hcp,4.901826 +11,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,29.0,1.0,9.831502928973686e-05,-9.831502928973686e-05,E0,hcp,4.901843 +12,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,31.0,1.0,3.6873213375526382e-06,3.6873213375526382e-06,E0,hcp,4.901848 +13,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,33.0,1.0,0.0002615187903042716,-0.0002615187903042716,E0,hcp,4.901835 +14,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,35.0,1.0,0.00015951643967698214,-0.00015951643967698214,E0,hcp,4.90184 +15,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,37.0,1.0,2.4087791448515132e-05,2.4087791448515132e-05,E0,hcp,4.901849 +16,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,39.0,1.0,9.831502928973686e-05,-9.831502928973686e-05,E0,hcp,4.901843 +17,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,41.0,1.0,0.0001187154994188186,-0.0001187154994188186,E0,hcp,4.901842 +18,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,43.0,1.0,5.751408904969261e-05,-5.751408904969261e-05,E0,hcp,4.901845 +19,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,45.0,1.0,3.6873213375526382e-06,3.6873213375526382e-06,E0,hcp,4.901848 +20,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,47.0,1.0,7.791455916065512e-05,-7.791455916065512e-05,E0,hcp,4.9018440000000005 +21,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,49.0,1.0,5.751408904969261e-05,-5.751408904969261e-05,E0,hcp,4.901845 +22,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,51.0,1.0,5.751408904969261e-05,-5.751408904969261e-05,E0,hcp,4.901845 +23,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,53.0,1.0,5.751408904969261e-05,-5.751408904969261e-05,E0,hcp,4.901845 +24,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,55.0,1.0,3.7113618920610856e-05,-3.7113618920610856e-05,E0,hcp,4.901846 +25,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,57.0,1.0,5.751408904969261e-05,-5.751408904969261e-05,E0,hcp,4.901845 +26,Tetra,allKp,DMol3,Zr,LDA,4.90184781925312,7.13499953865458e-07,59.0,1.0,3.6873213375526382e-06,3.6873213375526382e-06,E0,hcp,4.901848 +0,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,7.0,1.0,0.04119562183070638,0.04119562183070638,v0,hcp,22.1523 +1,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,9.0,1.0,0.004163900334569318,0.004163900334569318,v0,hcp,22.1441 +2,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,11.0,1.0,0.0077767512122334,0.0077767512122334,v0,hcp,22.1449 +3,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,13.0,1.0,0.017964811291187363,-0.017964811291187363,v0,hcp,22.1392 +4,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,15.0,1.0,0.016357272046701638,0.016357272046701638,v0,hcp,22.1468 +5,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,17.0,1.0,0.0005510494568891922,0.0005510494568891922,v0,hcp,22.1433 +6,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,19.0,1.0,0.003513407780498944,-0.003513407780498944,v0,hcp,22.1424 +7,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,21.0,1.0,0.001905868536013223,0.001905868536013223,v0,hcp,22.1436 +8,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,23.0,1.0,0.001905868536013223,0.001905868536013223,v0,hcp,22.1436 +9,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,25.0,1.0,0.001905868536013223,0.001905868536013223,v0,hcp,22.1436 +10,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,27.0,1.0,0.0012553759819428484,-0.0012553759819428484,v0,hcp,22.1429 +11,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,29.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +12,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,31.0,1.0,0.002357474895721233,0.002357474895721233,v0,hcp,22.1437 +13,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,33.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +14,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,35.0,1.0,0.0003521632625268283,-0.0003521632625268283,v0,hcp,22.1431 +15,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,37.0,1.0,0.0010026558165972023,0.0010026558165972023,v0,hcp,22.1434 +16,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,39.0,1.0,0.0005510494568891922,0.0005510494568891922,v0,hcp,22.1433 +17,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,41.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +18,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,43.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +19,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,45.0,1.0,0.0005510494568891922,0.0005510494568891922,v0,hcp,22.1433 +20,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,47.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +21,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,49.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +22,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,51.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +23,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,53.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +24,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,55.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +25,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,57.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +26,Tetra,allKp,DMol3,Zr,LDA,22.143177980138002,1.25064461078027e-05,59.0,1.0,9.944309718118194e-05,9.944309718118194e-05,v0,hcp,22.1432 +0,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,7.0,1.0,1.9294699779987077,-1.9294699779987077,dB,hcp,2.723552 +1,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,9.0,1.0,3.4416749607437094,3.4416749607437094,dB,hcp,2.872716 +2,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,11.0,1.0,1.7379777360084696,-1.7379777360084696,dB,hcp,2.72887 +3,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,13.0,1.0,0.2639407833013073,0.2639407833013073,dB,hcp,2.784466 +4,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,15.0,1.0,1.356973709589011,-1.356973709589011,dB,hcp,2.739451 +5,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,17.0,1.0,0.16545803004006354,0.16545803004006354,dB,hcp,2.781731 +6,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,19.0,1.0,0.20863200487012107,0.20863200487012107,dB,hcp,2.78293 +7,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,21.0,1.0,0.18663131598863603,-0.18663131598863603,dB,hcp,2.771953 +8,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,23.0,1.0,0.1537917287951067,-0.1537917287951067,dB,hcp,2.7728650000000004 +9,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,25.0,1.0,0.084871805671889,-0.084871805671889,dB,hcp,2.774779 +10,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,27.0,1.0,0.1584003994589906,0.1584003994589906,dB,hcp,2.781535 +11,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,29.0,1.0,0.026105834383381047,0.026105834383381047,dB,hcp,2.777861 +12,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,31.0,1.0,0.25864795457090817,-0.25864795457090817,dB,hcp,2.769953 +13,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,33.0,1.0,0.061538020565850435,0.061538020565850435,dB,hcp,2.778845 +14,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,35.0,1.0,0.04151739503998099,0.04151739503998099,dB,hcp,2.778289 +15,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,37.0,1.0,0.1284058636948762,-0.1284058636948762,dB,hcp,2.77357 +16,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,39.0,1.0,0.002088285416180944,0.002088285416180944,dB,hcp,2.777194 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+24,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,55.0,1.0,0.02682639497459403,-0.02682639497459403,dB,hcp,2.776391 +25,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,57.0,1.0,0.007525935834535944,-0.007525935834535944,dB,hcp,2.776927 +26,Tetra,allKp,DMol3,Zr,LDA,2.77713600547381,0.00024291046405093398,59.0,1.0,0.0008279942410070522,0.0008279942410070522,dB,hcp,2.777159 +0,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,12.0,1.0,0.013026881822843495,0.013026881822843495,B,bcc,262.1240732763 +1,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,28.0,1.0,0.0031095834024510373,0.0031095834024510373,B,bcc,262.0980810357 +2,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,38.0,1.0,0.0057803001941284324,0.0057803001941284324,B,bcc,262.1050807155 +3,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,10.0,1.0,0.18825443021541896,-0.18825443021541896,B,bcc,261.59653522419995 +4,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,54.0,1.0,0.006322452421746348,0.006322452421746348,B,bcc,262.10650164189997 +5,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,34.0,1.0,0.012571883879655094,-0.012571883879655094,B,bcc,262.0569814889 +6,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,52.0,1.0,0.005911466125818943,0.005911466125818943,B,bcc,262.1054244882 +7,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,20.0,1.0,0.044236730996048634,-0.044236730996048634,B,bcc,261.9739911129 +8,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,58.0,1.0,0.003353187268255564,-0.003353187268255564,B,bcc,262.0811427645 +9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,6.0,1.0,0.20931361099425827,-0.20931361099425827,B,bcc,261.5413412318 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,8.0,1.0,0.29353436046891923,0.29353436046891923,B,bcc,262.8592551339 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,36.0,1.0,0.007817876945382501,-0.007817876945382501,B,bcc,262.0694412624 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,30.0,1.0,0.03195542546816205,-0.03195542546816205,B,bcc,262.0061791781 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,24.0,1.0,0.01852877509962408,0.01852877509962408,B,bcc,262.1384931846 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,16.0,1.0,0.009338388886771892,-0.009338388886771892,B,bcc,262.0654561537 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,68.0,1.0,0.0017958538055028485,-0.0017958538055028485,B,bcc,262.0852243787 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,32.0,1.0,0.01352841982330406,0.01352841982330406,B,bcc,262.1253877569 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,62.0,1.0,0.006039113188998824,0.006039113188998824,B,bcc,262.1057590383 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,60.0,1.0,0.010592986034311837,-0.010592986034311837,B,bcc,262.0621679809 +19,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,26.0,1.0,0.009759936862780228,-0.009759936862780228,B,bcc,262.0643513189 +20,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,64.0,1.0,0.0036828148873934725,-0.0036828148873934725,B,bcc,262.0802788437 +21,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,40.0,1.0,0.0053930526598439344,-0.0053930526598439344,B,bcc,262.0757964827 +22,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,18.0,1.0,0.10359088536164862,-0.10359088536164862,B,bcc,261.8184298506 +23,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,70.0,1.0,0.0028839360082879724,0.0028839360082879724,B,bcc,262.0974896366 +24,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,14.0,1.0,0.021666560883501874,0.021666560883501874,B,bcc,262.1467170052 +25,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,66.0,1.0,0.004525675538478672,-0.004525675538478672,B,bcc,262.07806979080004 +26,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,48.0,1.0,0.0009184397476365453,-0.0009184397476365453,B,bcc,262.0875239926 +27,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,56.0,1.0,0.0010860268800758747,-0.0010860268800758747,B,bcc,262.0870847636 +28,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,22.0,1.0,0.03364432438039764,0.03364432438039764,B,bcc,262.1781095173 +29,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,46.0,1.0,0.0030660699795914174,0.0030660699795914174,B,bcc,262.09796699139997 +30,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,262.08993113070204,0.00557948097885161,50.0,1.0,0.003810871848056112,-0.003810871848056112,B,bcc,262.0799432193 +0,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,12.0,1.0,0.004739921543291964,-0.004739921543291964,E0,bcc,-9.485547621 +1,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,28.0,1.0,0.0007350953769428107,-0.0007350953769428107,E0,bcc,-9.4859275187 +2,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,38.0,1.0,0.0003427402136522837,-0.0003427402136522837,E0,bcc,-9.4859647375 +3,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,10.0,1.0,0.05808349277500693,-0.05808349277500693,E0,bcc,-9.4804874513 +4,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,54.0,1.0,0.00012023435112298177,-0.00012023435112298177,E0,bcc,-9.4859858444 +5,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,34.0,1.0,0.0005993774375386384,-0.0005993774375386384,E0,bcc,-9.4859403929 +6,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,52.0,1.0,8.909265960376651e-05,-8.909265960376651e-05,E0,bcc,-9.485988798500001 +7,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,20.0,1.0,0.00345474090502932,-0.00345474090502932,E0,bcc,-9.485669533200001 +8,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,58.0,1.0,0.00010248081444745832,-0.00010248081444745832,E0,bcc,-9.4859875285 +9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,6.0,1.0,0.09942928275054608,-0.09942928275054608,E0,bcc,-9.476565390800001 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,8.0,1.0,0.04278918831980884,-0.04278918831980884,E0,bcc,-9.4819382686 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,36.0,1.0,0.0002775304119064813,-0.0002775304119064813,E0,bcc,-9.4859709233 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,30.0,1.0,0.0007658206652239135,-0.0007658206652239135,E0,bcc,-9.4859246041 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,24.0,1.0,0.002090923305350848,-0.002090923305350848,E0,bcc,-9.4857989049 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,16.0,1.0,0.003978198783983027,-0.003978198783983027,E0,bcc,-9.485619878 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,68.0,1.0,0.00010144349600145456,-0.00010144349600145456,E0,bcc,-9.4859876269 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,32.0,1.0,0.00015560227196827848,-0.00015560227196827848,E0,bcc,-9.485982489400001 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,62.0,1.0,6.751290594565838e-06,-6.751290594565838e-06,E0,bcc,-9.4859966094 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,60.0,1.0,8.909687636452362e-05,-8.909687636452362e-05,E0,bcc,-9.4859887981 +19,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,26.0,1.0,0.00048428779844620745,-0.00048428779844620745,E0,bcc,-9.485951310299999 +20,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,64.0,1.0,9.952487854586914e-05,-9.952487854586914e-05,E0,bcc,-9.4859878089 +21,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,40.0,1.0,0.00010760415560318994,-0.00010760415560318994,E0,bcc,-9.4859870425 +22,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,18.0,1.0,0.005941660242968936,-0.005941660242968936,E0,bcc,-9.485433624099999 +23,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,70.0,1.0,9.01357250695437e-06,-9.01357250695437e-06,E0,bcc,-9.4859963948 +24,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,14.0,1.0,0.01713022136149327,-0.01713022136149327,E0,bcc,-9.4843722775 +25,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,66.0,1.0,4.674603127761827e-05,-4.674603127761827e-05,E0,bcc,-9.4859928155 +26,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,48.0,1.0,8.064863439821349e-05,-8.064863439821349e-05,E0,bcc,-9.4859895995 +27,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,56.0,1.0,5.79667808858937e-05,-5.79667808858937e-05,E0,bcc,-9.4859917511 +28,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,22.0,1.0,0.0010419518859092918,-0.0010419518859092918,E0,bcc,-9.485898410299999 +29,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,46.0,1.0,0.0001066775266167747,-0.0001066775266167747,E0,bcc,-9.4859871304 +30,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,-9.485997249827241,1.79048646604179e-06,50.0,1.0,0.00013022592054156751,-0.00013022592054156751,E0,bcc,-9.4859848966 +0,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,12.0,1.0,0.2007907665713964,0.2007907665713964,dB,bcc,4.3155011837 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+7,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,20.0,1.0,0.0347519488283685,0.0347519488283685,dB,bcc,4.3083501352 +8,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,58.0,1.0,0.1579324773941194,-0.1579324773941194,dB,bcc,4.3000514994 +9,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,6.0,1.0,0.3131577578602609,-0.3131577578602609,dB,bcc,4.2933661741 +10,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,8.0,1.0,0.9004254943786473,0.9004254943786473,dB,bcc,4.3456334259 +11,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,36.0,1.0,0.1150811885260866,-0.1150811885260866,dB,bcc,4.3018970416 +12,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,30.0,1.0,0.12141794686126885,0.12141794686126885,dB,bcc,4.3120827127 +13,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,24.0,1.0,0.17609872137217686,-0.17609872137217686,dB,bcc,4.2992691059 +14,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,16.0,1.0,0.02501499567174404,0.02501499567174404,dB,bcc,4.307930778899999 +15,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,68.0,1.0,0.12708338478462913,-0.12708338478462913,dB,bcc,4.3013801246 +16,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,32.0,1.0,0.08257030033114868,-0.08257030033114868,dB,bcc,4.3032972379 +17,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,62.0,1.0,0.09249980457432457,0.09249980457432457,dB,bcc,4.3108372507 +18,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,60.0,1.0,0.09528598732190632,-0.09528598732190632,dB,bcc,4.3027495919 +19,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,26.0,1.0,0.12554587018759836,-0.12554587018759836,dB,bcc,4.3014463431 +20,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,64.0,1.0,0.14435946148125728,-0.14435946148125728,dB,bcc,4.3006360693 +21,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,40.0,1.0,0.09844710937064312,0.09844710937064312,dB,bcc,4.3110933924 +22,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,18.0,1.0,1.0173294220560791,-1.0173294220560791,dB,bcc,4.2630385327 +23,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,70.0,1.0,0.035637818308524666,0.035637818308524666,dB,bcc,4.3083882883 +24,TetraBloechl,allKp_without_spin,VASP,Cr,PBE,4.306853419703471,0.00182111496265467,66.0,1.0,0.05090111247904789,-0.05090111247904789,dB,bcc,4.3046611833999995 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+9,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,28.0,1.0,0.0374220831837511,-0.0374220831837511,B,bcc,201.02120607970002 +10,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,20.0,1.0,0.1690757458851396,0.1690757458851396,B,bcc,201.4364659051 +11,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,26.0,1.0,0.05708098378547534,0.05708098378547534,B,bcc,201.2112484025 +12,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,38.0,1.0,0.02155263177000623,0.02155263177000623,B,bcc,201.1398021441 +13,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,30.0,1.0,0.019573479681082445,0.019573479681082445,B,bcc,201.1358221393 +14,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,32.0,1.0,0.03225658326649236,0.03225658326649236,B,bcc,201.16132741169997 +15,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,22.0,1.0,0.18815786329106654,-0.18815786329106654,B,bcc,200.7180817611 +16,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,8.0,1.0,0.8036063502142554,-0.8036063502142554,B,bcc,199.4804366373 +17,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,14.0,1.0,0.014470805040694184,-0.014470805040694184,B,bcc,201.0673602877 +18,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,201.09646056445203,0.0227196343152664,24.0,1.0,0.10664761724099488,0.10664761724099488,B,bcc,201.310925148 +0,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.862523595295901,1.0406254968646e-05,18.0,1.0,0.0003590947891998709,0.0003590947891998709,E0,bcc,-11.862566193 +1,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,-11.862523595295901,1.0406254968646e-05,16.0,1.0,0.0019034702210277933,0.0019034702210277933,E0,bcc,-11.8627493949 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+18,TetraBloechl,allKp_without_spin,VASP,Ta,PBE,18.11242644061869,0.00010660047111366,12.0,1.0,0.08538666737664861,-0.08538666737664861,v0,bcc,18.0969608433 +0,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,26.0,1.0,0.07083503882797998,-0.07083503882797998,B,fcc,257.3060264111 +1,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,64.0,1.0,0.0033569630924294635,-0.0033569630924294635,B,fcc,257.4797746411 +2,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,16.0,1.0,0.003807352107586232,0.003807352107586232,B,fcc,257.498221923 +3,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,56.0,1.0,0.00438943931648721,-0.00438943931648721,B,fcc,257.4771161344 +4,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,8.0,1.0,0.8043893796407081,-0.8043893796407081,B,fcc,255.4172089406 +5,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,36.0,1.0,0.017782772659374956,-0.017782772659374956,B,fcc,257.4426298522 +6,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,28.0,1.0,0.0504205563948957,0.0504205563948957,B,fcc,257.6182455255 +7,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,22.0,1.0,0.03913119665245746,-0.03913119665245746,B,fcc,257.3876601329 +8,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,42.0,1.0,0.030555494847101943,0.030555494847101943,B,fcc,257.5670952927 +9,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,52.0,1.0,0.007110230214401864,0.007110230214401864,B,fcc,257.5067264516 +10,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,38.0,1.0,0.008014658756199174,-0.008014658756199174,B,fcc,257.46778161419996 +11,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,60.0,1.0,0.0002914529820795212,-0.0002914529820795212,B,fcc,257.4876679746 +12,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,40.0,1.0,0.011441340703909895,0.011441340703909895,B,fcc,257.5178785595 +13,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,58.0,1.0,0.006282843971215208,-0.006282843971215208,B,fcc,257.4722408367 +14,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,30.0,1.0,0.017399048371508522,-0.017399048371508522,B,fcc,257.4436178978 +15,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,10.0,1.0,0.3129157504759243,0.3129157504759243,B,fcc,258.2941402492 +16,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,46.0,1.0,0.027813254906796002,-0.027813254906796002,B,fcc,257.4168025221 +17,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,12.0,1.0,0.15838104812982842,0.15838104812982842,B,fcc,257.8962312882 +18,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,62.0,1.0,0.0004208803380677543,0.0004208803380677543,B,fcc,257.4895021504 +19,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,54.0,1.0,0.01384243751349283,0.01384243751349283,B,fcc,257.5240611057 +20,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,14.0,1.0,0.16829154247496966,-0.16829154247496966,B,fcc,257.05508720119997 +21,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,34.0,1.0,0.028549606472255826,-0.028549606472255826,B,fcc,257.4149065021 +22,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,50.0,1.0,0.00436421493997605,0.00436421493997605,B,fcc,257.4996557803 +23,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,6.0,1.0,1.849993451502347,-1.849993451502347,B,fcc,252.7248995529 +24,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,48.0,1.0,0.00065528924998933,0.00065528924998933,B,fcc,257.4901057262 +25,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,70.0,1.0,0.0019549618210670965,-0.0019549618210670965,B,fcc,257.483384632 +26,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,18.0,1.0,0.02425446499932709,0.02425446499932709,B,fcc,257.5508708706 +27,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,68.0,1.0,0.0007094943474187851,-0.0007094943474187851,B,fcc,257.4865915665 +28,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,44.0,1.0,0.0022256928140061524,0.0022256928140061524,B,fcc,257.4941493335 +29,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,24.0,1.0,0.07551659795412444,0.07551659795412444,B,fcc,257.682864926 +30,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,32.0,1.0,0.00030706228682375364,0.00030706228682375364,B,fcc,257.4892090821 +31,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,66.0,1.0,0.00807595784406072,0.00807595784406072,B,fcc,257.5092130884 +32,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,257.48841843227405,0.00577279166380214,20.0,1.0,0.04796282521209266,-0.04796282521209266,B,fcc,257.3649197122 +0,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,26.0,1.0,0.003220259695266925,-0.003220259695266925,E0,fcc,-7.2758704744000005 +1,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,64.0,1.0,5.152990302500107e-05,-5.152990302500107e-05,E0,fcc,-7.276101034500001 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+8,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,42.0,1.0,0.0007129203303207381,0.0007129203303207381,E0,fcc,-7.2761566567 +9,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,60.0,1.0,4.8686348602666666e-05,-4.8686348602666666e-05,E0,fcc,-7.2761012414 +10,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,52.0,1.0,4.589227119470492e-05,-4.589227119470492e-05,E0,fcc,-7.2761014447 +11,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,38.0,1.0,0.0020311770394951427,-0.0020311770394951427,E0,fcc,-7.2759569933 +12,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,40.0,1.0,0.0004532544640123875,-0.0004532544640123875,E0,fcc,-7.276071804600001 +13,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,58.0,1.0,0.0001793799034971263,-0.0001793799034971263,E0,fcc,-7.276091732 +14,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,10.0,1.0,0.1708054336684622,0.1708054336684622,E0,fcc,-7.2885327662 +15,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,30.0,1.0,0.0010987316993756812,-0.0010987316993756812,E0,fcc,-7.276024839 +16,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,46.0,1.0,0.0007603404758847982,-0.0007603404758847982,E0,fcc,-7.2760494607 +17,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,12.0,1.0,0.08390149332748516,-0.08390149332748516,E0,fcc,-7.270000023300001 +18,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,62.0,1.0,0.0003034078039833639,-0.0003034078039833639,E0,fcc,-7.2760827076 +19,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,54.0,1.0,0.00012296456039757588,0.00012296456039757588,E0,fcc,-7.2761137309000015 +20,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,14.0,1.0,0.05356488650880512,-0.05356488650880512,E0,fcc,-7.2722073465999975 +21,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,34.0,1.0,0.0010385841323898137,-0.0010385841323898137,E0,fcc,-7.2760292153999995 +22,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,50.0,1.0,0.0008870263919681109,-0.0008870263919681109,E0,fcc,-7.2760402429 +23,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,6.0,1.0,1.4785121581567595,-1.4785121581567595,E0,fcc,-7.16852669 +24,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,48.0,1.0,0.00044192230891219766,0.00044192230891219766,E0,fcc,-7.2761369386000005 +25,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,70.0,1.0,6.599231158249203e-05,-6.599231158249203e-05,E0,fcc,-7.2760999822 +26,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,18.0,1.0,0.01963223334697269,-0.01963223334697269,E0,fcc,-7.274676322 +27,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,68.0,1.0,0.0002542578795889171,-0.0002542578795889171,E0,fcc,-7.2760862838 +28,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,44.0,1.0,0.0010085007283456232,-0.0010085007283456232,E0,fcc,-7.276031404299999 +29,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,24.0,1.0,0.005482985492788931,-0.005482985492788931,E0,fcc,-7.2757058361 +30,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,32.0,1.0,0.001802106671548221,-0.001802106671548221,E0,fcc,-7.275973660700001 +31,TetraBloechl,allKp_without_spin,VASP,Rh,PBE,-7.27610478386974,5.91636297037e-06,66.0,1.0,2.544534905371094e-05,2.544534905371094e-05,E0,fcc,-7.2761066353 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+23,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,14.0,1.0,0.08207003772646468,-0.08207003772646468,B,fcc,139.07458908540002 +24,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,52.0,1.0,0.05389781117513055,-0.05389781117513055,B,fcc,139.11380167549999 +25,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,10.0,1.0,0.5657700860756205,0.5657700860756205,B,fcc,139.9763101183 +26,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,34.0,1.0,0.07684780484405346,-0.07684780484405346,B,fcc,139.0818578498 +27,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,12.0,1.0,0.029522222275182093,-0.029522222275182093,B,fcc,139.14772977040002 +28,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,36.0,1.0,0.04193366721148547,0.04193366721148547,B,fcc,139.2471883808 +29,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,56.0,1.0,0.009344473647979513,-0.009344473647979513,B,fcc,139.1758149409 +30,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,26.0,1.0,0.06111876512719845,-0.06111876512719845,B,fcc,139.1037509148 +31,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,22.0,1.0,0.24774695445045525,0.24774695445045525,B,fcc,139.5336574696 +32,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,58.0,1.0,0.032432039427999555,-0.032432039427999555,B,fcc,139.1436796302 +33,TetraBloechl,allKp_without_spin,VASP,Au,PBE,139.188821403637,0.00641911258668119,30.0,1.0,0.015489127033048947,0.015489127033048947,B,fcc,139.21038053700002 +0,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,20.0,1.0,0.011304495280270443,0.011304495280270443,E0,fcc,-3.2207181997000003 +1,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,48.0,1.0,0.0015001522883944195,-0.0015001522883944195,E0,fcc,-3.2203058447000004 +2,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,66.0,1.0,0.00015997049709353265,-0.00015997049709353265,E0,fcc,-3.2203490033 +3,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,16.0,1.0,0.010939876998073509,0.010939876998073509,E0,fcc,-3.2207064577 +4,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,68.0,1.0,0.0001953299620868808,-0.0001953299620868808,E0,fcc,-3.2203478646 +5,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,50.0,1.0,0.0011826251001497276,-0.0011826251001497276,E0,fcc,-3.2203160702 +6,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,28.0,1.0,0.003911976055730447,0.003911976055730447,E0,fcc,-3.2204801344 +7,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,64.0,1.0,0.0001993419431725813,-0.0001993419431725813,E0,fcc,-3.2203477354000003 +8,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,24.0,1.0,0.005582413449026014,0.005582413449026014,E0,fcc,-3.2205339283999996 +9,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,8.0,1.0,0.031592189383794066,0.031592189383794066,E0,fcc,-3.2213715353 +10,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,46.0,1.0,0.001607888886087849,-0.001607888886087849,E0,fcc,-3.2203023751999997 +11,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,60.0,1.0,0.0004038194535212633,-0.0004038194535212633,E0,fcc,-3.2203411505 +12,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,70.0,1.0,0.0002530689532133605,-0.0002530689532133605,E0,fcc,-3.2203460051999997 +13,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,32.0,1.0,0.001596923225721964,0.001596923225721964,E0,fcc,-3.2204055814999997 +14,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,62.0,1.0,0.0002767682099836632,-0.0002767682099836632,E0,fcc,-3.220345242 +15,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,54.0,1.0,0.0006158613492763001,-0.0006158613492763001,E0,fcc,-3.220334322 +16,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,42.0,1.0,0.0017571178146151244,-0.0017571178146151244,E0,fcc,-3.2202975695 +17,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,38.0,1.0,0.0010778167518125012,-0.0010778167518125012,E0,fcc,-3.2203194454000004 +18,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,44.0,1.0,0.0017520438385138426,-0.0017520438385138426,E0,fcc,-3.2202977329 +19,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,4.0,1.0,5.151119458811454,-5.151119458811454,E0,fcc,-3.0544698654 +20,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,6.0,1.0,0.6485144338756971,-0.6485144338756971,E0,fcc,-3.1994696933999998 +21,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,40.0,1.0,0.0014777976042515692,-0.0014777976042515692,E0,fcc,-3.2203065646 +22,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,18.0,1.0,0.01145786350506982,0.01145786350506982,E0,fcc,-3.2207231387 +23,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,14.0,1.0,0.014477208438049338,0.014477208438049338,E0,fcc,-3.2208203723000004 +24,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,52.0,1.0,0.0008850305022022967,-0.0008850305022022967,E0,fcc,-3.2203256538 +25,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,10.0,1.0,0.04573964267879023,0.04573964267879023,E0,fcc,-3.2218271333999997 +26,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,34.0,1.0,0.0002038217889817044,0.0002038217889817044,E0,fcc,-3.2203607187 +27,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,12.0,1.0,0.02131504643370478,0.02131504643370478,E0,fcc,-3.2210405749 +28,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,36.0,1.0,0.00044043964941107373,-0.00044043964941107373,E0,fcc,-3.2203399712 +29,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,56.0,1.0,0.00044222206206207627,-0.00044222206206207627,E0,fcc,-3.2203399137999997 +30,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,26.0,1.0,0.0042446910145423475,0.0042446910145423475,E0,fcc,-3.220490849 +31,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,22.0,1.0,0.009385846056362512,0.009385846056362512,E0,fcc,-3.2206564124 +32,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,58.0,1.0,0.0004277267619325929,-0.0004277267619325929,E0,fcc,-3.2203403806 +33,TetraBloechl,allKp_without_spin,VASP,Au,PBE,-3.2203541549165497,2.72693568337584e-06,30.0,1.0,0.0029245225499933475,0.0029245225499933475,E0,fcc,-3.2204483349 +0,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,20.0,1.0,0.07114506445275025,0.07114506445275025,dB,fcc,5.9639987124000005 +1,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,48.0,1.0,0.138472275077877,-0.138472275077877,dB,fcc,5.9515060249000005 +2,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,66.0,1.0,0.09146525063217556,-0.09146525063217556,dB,fcc,5.9543075301 +3,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,16.0,1.0,0.26164154072087004,0.26164154072087004,dB,fcc,5.9753518426 +4,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,68.0,1.0,0.05432771729435885,0.05432771729435885,dB,fcc,5.9629964390999985 +5,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,50.0,1.0,0.035243126493114195,-0.035243126493114195,dB,fcc,5.957658232999999 +6,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,28.0,1.0,0.526360220747231,0.526360220747231,dB,fcc,5.991128437 +7,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,64.0,1.0,0.04237125240866402,-0.04237125240866402,dB,fcc,5.9572334139 +8,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,24.0,1.0,2.0095219176564383,-2.0095219176564383,dB,fcc,5.8399959822000005 +9,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,8.0,1.0,2.316604505386094,2.316604505386094,dB,fcc,6.0978226754 +10,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,46.0,1.0,0.12809682470260902,-0.12809682470260902,dB,fcc,5.9521243767000005 +11,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,60.0,1.0,0.07446641961416844,-0.07446641961416844,dB,fcc,5.955320619400001 +12,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,70.0,1.0,0.057813600072667524,0.057813600072667524,dB,fcc,5.9632041893 +13,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,32.0,1.0,0.6026143398646561,-0.6026143398646561,dB,fcc,5.9238442781 +14,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,62.0,1.0,0.18870267249082967,0.18870267249082967,dB,fcc,5.9710048621 +15,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,54.0,1.0,0.0960260183638132,0.0960260183638132,dB,fcc,5.9654815572 +16,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,42.0,1.0,0.22843518589820586,0.22843518589820586,dB,fcc,5.973372824 +17,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,38.0,1.0,0.4065506683435298,-0.4065506683435298,dB,fcc,5.9355291997 +18,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,44.0,1.0,0.06795903274366133,0.06795903274366133,dB,fcc,5.9638088326 +19,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,4.0,1.0,14.06720522774406,14.06720522774406,dB,fcc,6.798130117 +20,TetraBloechl,allKp_without_spin,VASP,Au,PBE,5.959758638275571,0.00320218175027734,6.0,1.0,4.189320440276602,4.189320440276602,dB,fcc,6.2094320251 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+9,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,22.0,1.0,0.0014847783771350606,-0.0014847783771350606,E0,fcc,-5.4671142267 +10,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,52.0,1.0,6.135751376151635e-05,-6.135751376151635e-05,E0,fcc,-5.467192047899999 +11,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,8.0,1.0,0.16803819067960515,-0.16803819067960515,E0,fcc,-5.4580084262 +12,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,24.0,1.0,0.0017508458685524587,0.0017508458685524587,E0,fcc,-5.4672911246 +13,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,40.0,1.0,1.1617202669435365e-05,-1.1617202669435365e-05,E0,fcc,-5.4671947673000005 +14,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,50.0,1.0,3.694646015811443e-05,-3.694646015811443e-05,E0,fcc,-5.4671933825 +15,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,26.0,1.0,0.001717333256237517,0.001717333256237517,E0,fcc,-5.4672892924 +16,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,28.0,1.0,0.0015642889795226677,-0.0015642889795226677,E0,fcc,-5.4671098797000015 +17,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,64.0,1.0,8.016606043373876e-05,-8.016606043373876e-05,E0,fcc,-5.4671910196 +18,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,16.0,1.0,0.015055588369933669,-0.015055588369933669,E0,fcc,-5.466372284 +19,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,54.0,1.0,9.214349329903948e-05,9.214349329903948e-05,E0,fcc,-5.4672004401 +20,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,60.0,1.0,7.272768826989359e-05,7.272768826989359e-05,E0,fcc,-5.4671993786 +21,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,32.0,1.0,0.0007601313245382323,0.0007601313245382323,E0,fcc,-5.467236960299998 +22,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,58.0,1.0,9.62821846110355e-05,-9.62821846110355e-05,E0,fcc,-5.4671901385 +23,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,42.0,1.0,8.964989925971836e-05,-8.964989925971836e-05,E0,fcc,-5.4671905011 +24,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,10.0,1.0,0.02969878969583752,0.02969878969583752,E0,fcc,-5.4688190933000005 +25,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,36.0,1.0,0.0001651059485621568,0.0001651059485621568,E0,fcc,-5.4672044291 +26,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,14.0,1.0,0.013784748480627622,-0.013784748480627622,E0,fcc,-5.466441763300001 +27,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,46.0,1.0,0.0003078884801084991,0.0003078884801084991,E0,fcc,-5.4672122353 +28,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,30.0,1.0,0.0017062520781428352,-0.0017062520781428352,E0,fcc,-5.467102118300001 +29,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,6.0,1.0,0.3979695284923917,0.3979695284923917,E0,fcc,-5.4889531742 +30,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,68.0,1.0,6.66276685063447e-05,6.66276685063447e-05,E0,fcc,-5.4671990451 +31,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,66.0,1.0,3.470429657615085e-06,-3.470429657615085e-06,E0,fcc,-5.4671952127 +32,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,18.0,1.0,0.00809772712042222,0.00809772712042222,E0,fcc,-5.467638121 +33,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,-5.467195402435171,1.83813042265116e-06,34.0,1.0,0.001243132169724549,0.001243132169724549,E0,fcc,-5.4672633669 +0,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,62.0,1.0,0.1953341799678011,-0.1953341799678011,dB,fcc,4.8981881311 +1,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,56.0,1.0,0.370919426624682,0.370919426624682,dB,fcc,4.9259785823 +2,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,4.0,1.0,2.15425598308018,-2.15425598308018,dB,fcc,4.8020486626 +3,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,12.0,1.0,6.522278556012871,6.522278556012871,dB,fcc,5.2278734289 +4,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,70.0,1.0,0.23506668851671456,0.23506668851671456,dB,fcc,4.919311236 +5,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,44.0,1.0,0.3793892958986919,-0.3793892958986919,dB,fcc,4.8891551207 +6,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,48.0,1.0,0.20107499159120992,-0.20107499159120992,dB,fcc,4.897906385 +7,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,38.0,1.0,0.8376026106650477,-0.8376026106650477,dB,fcc,4.866667043600001 +8,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,20.0,1.0,0.8079075942615541,-0.8079075942615541,dB,fcc,4.8681244081 +9,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,22.0,1.0,0.24036058477309916,-0.24036058477309916,dB,fcc,4.895978336600001 +10,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,52.0,1.0,0.918834933861382,-0.918834933861382,dB,fcc,4.8626803442 +11,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,8.0,1.0,5.764833619599951,-5.764833619599951,dB,fcc,4.6248496471 +12,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,24.0,1.0,0.5331870692711251,0.5331870692711251,dB,fcc,4.9339423126 +13,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,40.0,1.0,0.8628436756609866,-0.8628436756609866,dB,fcc,4.865428269 +14,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,26.0,1.0,4.434221379002867,-4.434221379002867,dB,fcc,4.690153097900001 +15,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,50.0,1.0,0.4057893118156085,-0.4057893118156085,dB,fcc,4.8878594674 +16,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,28.0,1.0,1.9085659289090948,1.9085659289090948,dB,fcc,5.0014428082 +17,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,64.0,1.0,0.7579518474396421,-0.7579518474396421,dB,fcc,4.8705761236 +18,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,54.0,1.0,0.3319194924552493,-0.3319194924552493,dB,fcc,4.891484831700001 +19,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,16.0,1.0,0.7128884217824497,-0.7128884217824497,dB,fcc,4.872787735 +20,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,60.0,1.0,0.19482694802907694,0.19482694802907694,dB,fcc,4.9173363602 +21,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,32.0,1.0,0.24767342453780045,0.24767342453780045,dB,fcc,4.9199299462 +22,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,42.0,1.0,0.7267240304200935,0.7267240304200935,dB,fcc,4.9434406706 +23,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,58.0,1.0,0.011006734909424784,-0.011006734909424784,dB,fcc,4.9072345068 +24,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,36.0,1.0,0.5870802156850393,-0.5870802156850393,dB,fcc,4.8789621183000005 +25,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,10.0,1.0,0.7502441076916093,0.7502441076916093,dB,fcc,4.944594983 +26,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,14.0,1.0,9.703544954345967,9.703544954345967,dB,fcc,5.3840028161 +27,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,30.0,1.0,0.7377220760479608,0.7377220760479608,dB,fcc,4.9439804299 +28,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,6.0,1.0,0.13461553482455127,-0.13461553482455127,dB,fcc,4.9011680654 +29,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,68.0,1.0,0.14134350667911075,-0.14134350667911075,dB,fcc,4.9008378717 +30,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,66.0,1.0,0.7204845080609386,-0.7204845080609386,dB,fcc,4.8724149362 +31,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,46.0,1.0,0.2455509758557801,-0.2455509758557801,dB,fcc,4.8957236039000005 +32,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,18.0,1.0,0.4558260240495268,-0.4558260240495268,dB,fcc,4.8854037783 +33,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,4.907774692550361,0.0080599446375381,34.0,1.0,0.009100347461279835,0.009100347461279835,dB,fcc,4.9082213171 +0,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,62.0,1.0,0.001466839306081167,0.001466839306081167,v0,fcc,10.8814954975 +1,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,56.0,1.0,0.0012970979820992473,-0.0012970979820992473,v0,fcc,10.8811947442 +2,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,4.0,1.0,1.1943909309696488,-1.1943909309696488,v0,fcc,10.7513701968 +3,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,12.0,1.0,0.040589361068872384,0.040589361068872384,v0,fcc,10.8857525505 +4,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,70.0,1.0,0.0004393705763823061,-0.0004393705763823061,v0,fcc,10.8812880764 +5,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,44.0,1.0,0.00029147237557116323,-0.00029147237557116323,v0,fcc,10.8813041697 +6,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,48.0,1.0,0.0013546664981898544,0.0013546664981898544,v0,fcc,10.8814832916 +7,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,38.0,1.0,0.006302964259156985,0.006302964259156985,v0,fcc,10.8820217325 +8,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,20.0,1.0,0.014634054172332116,-0.014634054172332116,v0,fcc,10.8797435052 +9,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,22.0,1.0,0.002160164805753552,-0.002160164805753552,v0,fcc,10.881100831 +10,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,52.0,1.0,0.0033522769228738754,0.0033522769228738754,v0,fcc,10.8817006583 +11,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,8.0,1.0,0.059389915720187265,0.059389915720187265,v0,fcc,10.887798302 +12,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,24.0,1.0,0.008409982206280149,0.008409982206280149,v0,fcc,10.8822510042 +13,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,40.0,1.0,0.003837497676600122,0.003837497676600122,v0,fcc,10.8817534568 +14,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,26.0,1.0,0.01889534826772031,0.01889534826772031,v0,fcc,10.8833919521 +15,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,50.0,1.0,0.0025390854091848344,0.0025390854091848344,v0,fcc,10.8816121722 +16,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,28.0,1.0,0.0017790277795957964,-0.0017790277795957964,v0,fcc,10.8811423038 +17,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,64.0,1.0,0.002234801998141124,0.002234801998141124,v0,fcc,10.8815790621 +18,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,54.0,1.0,0.0011098307511869883,0.0011098307511869883,v0,fcc,10.8814566502 +19,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,16.0,1.0,0.003729731279878815,-0.003729731279878815,v0,fcc,10.8809300412 +20,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,60.0,1.0,8.050471278008337e-05,-8.050471278008337e-05,v0,fcc,10.881327125799999 +21,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,32.0,1.0,0.002624555396484993,-0.002624555396484993,v0,fcc,10.8810502991 +22,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,58.0,1.0,7.683696458044816e-05,-7.683696458044816e-05,v0,fcc,10.8813275249 +23,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,42.0,1.0,0.0023076954046436,-0.0023076954046436,v0,fcc,10.8810847777 +24,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,10.0,1.0,0.07566741619064345,0.07566741619064345,v0,fcc,10.889569511500001 +25,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,36.0,1.0,0.003785175975828588,0.003785175975828588,v0,fcc,10.881747763499998 +26,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,14.0,1.0,0.01708711900189436,0.01708711900189436,v0,fcc,10.8831951926 +27,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,30.0,1.0,0.005637694623514725,-0.005637694623514725,v0,fcc,10.8807224293 +28,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,6.0,1.0,0.4158936371710245,-0.4158936371710245,v0,fcc,10.8360811022 +29,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,68.0,1.0,0.0003516058340817975,0.0003516058340817975,v0,fcc,10.8813741452 +30,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,46.0,1.0,0.0008150792580202715,0.0008150792580202715,v0,fcc,10.8814245773 +31,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,66.0,1.0,0.002035749232679961,0.002035749232679961,v0,fcc,10.8815574025 +32,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,18.0,1.0,0.01850809872370771,-0.01850809872370771,v0,fcc,10.8793219574 +33,TetraBloechl,allKp_without_spin,VASP,Ni,PBE,10.8813358857882,4.9311593653839895e-05,34.0,1.0,0.0030593237052438968,-0.0030593237052438968,v0,fcc,10.881002990499999 +0,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,62.0,1.0,0.007360699981674524,0.007360699981674524,B,bcc,188.64661455990003 +1,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,38.0,1.0,0.0012886165696949575,0.0012886165696949575,B,bcc,188.6351606232 +2,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,4.0,1.0,65.45115134595957,65.45115134595957,B,bcc,312.0950233862 +3,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,46.0,1.0,0.017475163991774158,-0.017475163991774158,B,bcc,188.59976599169997 +4,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,24.0,1.0,0.13193492887357064,-0.13193492887357064,B,bcc,188.38385741259998 +5,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,40.0,1.0,0.002763316321913904,0.002763316321913904,B,bcc,188.6379423896 +6,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,30.0,1.0,0.17883671685418698,0.17883671685418698,B,bcc,188.9700744516 +7,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,12.0,1.0,0.7808185776654317,-0.7808185776654317,B,bcc,187.15985047220002 +8,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,32.0,1.0,0.036123701509141265,-0.036123701509141265,B,bcc,188.56458874630002 +9,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,26.0,1.0,0.0823437435770552,-0.0823437435770552,B,bcc,188.47740261919998 +10,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,56.0,1.0,0.03506575387653809,-0.03506575387653809,B,bcc,188.5665843818 +11,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,10.0,1.0,4.279350902386351,4.279350902386351,B,bcc,196.7049862985 +12,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,58.0,1.0,0.011540964975653876,-0.011540964975653876,B,bcc,188.61095983330003 +13,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,36.0,1.0,0.16235291489293302,-0.16235291489293302,B,bcc,188.3264791352 +14,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,14.0,1.0,0.014381575459147743,-0.014381575459147743,B,bcc,188.60560151220002 +15,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,34.0,1.0,0.054839487073075725,0.054839487073075725,B,bcc,188.73617509209998 +16,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,6.0,1.0,2.7052480493782496,2.7052480493782496,B,bcc,193.7357131159 +17,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,22.0,1.0,0.14148366622064024,0.14148366622064024,B,bcc,188.8996143725 +18,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,18.0,1.0,0.005147258905518304,-0.005147258905518304,B,bcc,188.62302045560003 +19,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,20.0,1.0,0.8187681811881781,-0.8187681811881781,B,bcc,187.0882650991 +20,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,44.0,1.0,0.018322661030624708,-0.018322661030624708,B,bcc,188.5981673349 +21,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,42.0,1.0,0.05749271119989492,0.05749271119989492,B,bcc,188.7411799412 +22,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,16.0,1.0,1.1676372749300084,-1.1676372749300084,B,bcc,186.4301838039 +23,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,8.0,1.0,15.902264233501045,-15.902264233501045,B,bcc,158.6358547357 +24,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,60.0,1.0,0.008781725538478207,0.008781725538478207,B,bcc,188.6492950792 +25,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,50.0,1.0,0.023197834354104985,0.023197834354104985,B,bcc,188.67648857880002 +26,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,52.0,1.0,0.02113921822599141,0.02113921822599141,B,bcc,188.672605355 +27,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,28.0,1.0,0.25751369516853084,-0.25751369516853084,B,bcc,188.1469747576 +28,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,54.0,1.0,0.010325781003326606,-0.010325781003326606,B,bcc,188.61325206799998 +29,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,188.632729870587,0.0199642284234006,48.0,1.0,0.03830391599410553,-0.03830391599410553,B,bcc,188.5604761482 +0,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,62.0,1.0,6.4249491490653295e-06,6.4249491490653295e-06,E0,bcc,-8.2371310885 +1,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,38.0,1.0,4.801710282899922e-05,4.801710282899922e-05,E0,bcc,-8.237134514500001 +2,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,4.0,1.0,0.24659813053096286,-0.24659813053096286,E0,bcc,-8.2168179493 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+9,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,26.0,1.0,0.0012050224023530582,-0.0012050224023530582,E0,bcc,-8.2370313 +10,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,56.0,1.0,7.166413725088386e-05,-7.166413725088386e-05,E0,bcc,-8.2371246562 +11,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,10.0,1.0,0.0031180752763484225,0.0031180752763484225,E0,bcc,-8.2373873992 +12,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,36.0,1.0,0.00019344440925518397,-0.00019344440925518397,E0,bcc,-8.237114625 +13,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,58.0,1.0,5.240985946125687e-05,-5.240985946125687e-05,E0,bcc,-8.2371262422 +14,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,14.0,1.0,0.007123284343121168,0.007123284343121168,E0,bcc,-8.237717313500001 +15,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,34.0,1.0,0.00012884424343950353,-0.00012884424343950353,E0,bcc,-8.2371199462 +16,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,6.0,1.0,0.22528359478979615,0.22528359478979615,E0,bcc,-8.2556874631 +17,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,22.0,1.0,0.0005087527889571073,0.0005087527889571073,E0,bcc,-8.2371724659 +18,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,18.0,1.0,0.0025937377951369307,-0.0025937377951369307,E0,bcc,-8.2369169097 +19,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,42.0,1.0,2.966043249732956e-05,-2.966043249732956e-05,E0,bcc,-8.237128116100001 +20,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,20.0,1.0,0.0023431444622730173,-0.0023431444622730173,E0,bcc,-8.2369375514 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+27,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,28.0,1.0,0.0009748572997880805,-0.0009748572997880805,E0,bcc,-8.237050259 +28,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,54.0,1.0,3.607164568938464e-05,-3.607164568938464e-05,E0,bcc,-8.237127588 +29,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,-8.23713055926855,1.34006206838018e-06,48.0,1.0,0.0001261139237095136,-0.0001261139237095136,E0,bcc,-8.2371201711 +0,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,62.0,1.0,0.17059814372763546,-0.17059814372763546,dB,bcc,5.3644963536 +1,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,38.0,1.0,1.7714276855168969,1.7714276855168969,dB,bcc,5.4688542911 +2,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,4.0,1.0,556.7312415556885,-556.7312415556885,dB,bcc,-24.5432010444 +3,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,46.0,1.0,0.8816550452044819,0.8816550452044819,dB,bcc,5.4210409015 +4,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,24.0,1.0,1.7431894168441238,1.7431894168441238,dB,bcc,5.4673368615 +5,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,40.0,1.0,0.5235520918419566,0.5235520918419566,dB,bcc,5.401797652999999 +6,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,30.0,1.0,0.33973598648341125,-0.33973598648341125,dB,bcc,5.3554074547 +7,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,12.0,1.0,27.546137310517825,-27.546137310517825,dB,bcc,3.8934269361 +8,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,32.0,1.0,0.2605470714631989,-0.2605470714631989,dB,bcc,5.3596628007 +9,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,26.0,1.0,2.1417866817020204,-2.1417866817020204,dB,bcc,5.2585713102 +10,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,56.0,1.0,0.6486347848615597,0.6486347848615597,dB,bcc,5.4085191763000005 +11,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,10.0,1.0,1.7923940445041575,-1.7923940445041575,dB,bcc,5.2773464956 +12,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,58.0,1.0,0.1273744560091001,0.1273744560091001,dB,bcc,5.3805083991 +13,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,36.0,1.0,0.2050502604776134,-0.2050502604776134,dB,bcc,5.3626450127 +14,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,14.0,1.0,1.1144087690918836,-1.1144087690918836,dB,bcc,5.3137791444 +15,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,34.0,1.0,0.7273865647347002,-0.7273865647347002,dB,bcc,5.3345764162 +16,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,6.0,1.0,4.0400495808356505,-4.0400495808356505,dB,bcc,5.1565650454 +17,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,22.0,1.0,2.146229386200377,-2.146229386200377,dB,bcc,5.2583325742 +18,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,18.0,1.0,1.4104162588883489,-1.4104162588883489,dB,bcc,5.2978726973 +19,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,20.0,1.0,4.539151816790589,-4.539151816790589,dB,bcc,5.1297449696 +20,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,44.0,1.0,0.0351923982125623,0.0351923982125623,dB,bcc,5.3755548453 +21,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,42.0,1.0,0.6944673276777719,-0.6944673276777719,dB,bcc,5.3363453853 +22,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,16.0,1.0,3.0360386402664687,-3.0360386402664687,dB,bcc,5.2105172171 +23,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,8.0,1.0,65.23865111245404,-65.23865111245404,dB,bcc,1.8679579952 +24,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,60.0,1.0,0.19177439439033805,-0.19177439439033805,dB,bcc,5.3633584131 +25,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,50.0,1.0,0.2785176265550188,-0.2785176265550188,dB,bcc,5.3586971235 +26,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,52.0,1.0,0.11515426311034192,-0.11515426311034192,dB,bcc,5.3674757213 +27,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,28.0,1.0,3.2599157340028424,3.2599157340028424,dB,bcc,5.5488406334 +28,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,54.0,1.0,0.08857279517112475,-0.08857279517112475,dB,bcc,5.36890412 +29,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,5.373663724163588,0.00893690372979657,48.0,1.0,1.0482621062258597,1.0482621062258597,dB,bcc,5.4299938047000005 +0,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,62.0,1.0,0.0008198987039776749,0.0008198987039776749,v0,bcc,11.3556973452 +1,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,38.0,1.0,0.004008685388730251,-0.004008685388730251,v0,bcc,11.3551490303 +2,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,4.0,1.0,1.1489179966649283,1.1489179966649283,v0,bcc,11.4860708215 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+9,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,26.0,1.0,0.012191190557988748,0.012191190557988748,v0,bcc,11.356988624100001 +10,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,56.0,1.0,0.000360106315216858,-0.000360106315216858,v0,bcc,11.355563348499999 +11,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,10.0,1.0,0.036970920780558345,-0.036970920780558345,v0,bcc,11.3514059693 +12,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,58.0,1.0,0.00014626564688185976,-0.00014626564688185976,v0,bcc,11.3555876314 +13,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,36.0,1.0,0.0011069102914650648,0.0011069102914650648,v0,bcc,11.3557299371 +14,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,14.0,1.0,0.024057890659807683,0.024057890659807683,v0,bcc,11.3583361596 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+27,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,28.0,1.0,0.00853247020113122,-0.00853247020113122,v0,bcc,11.3546353272 +28,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,54.0,1.0,0.0009330366729343958,0.0009330366729343958,v0,bcc,11.3557101927 +29,TetraBloechl,allKp_without_spin,VASP,Fe,PBE,11.355604240748,3.3873538399912394e-05,48.0,1.0,0.0015632241511426585,-0.0015632241511426585,v0,bcc,11.355426727200001 +0,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,36.0,1.0,0.049642785292570664,-0.049642785292570664,B,fcc,168.1624850175 +1,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,34.0,1.0,0.00628490715244485,-0.00628490715244485,B,fcc,168.2354329162 +2,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,40.0,1.0,0.04612530623746991,0.04612530623746991,B,fcc,168.3236110075 +3,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,48.0,1.0,0.01338665557043904,0.01338665557043904,B,fcc,168.268529535 +4,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,60.0,1.0,0.003051048617360973,0.003051048617360973,B,fcc,168.251140289 +5,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,64.0,1.0,0.019911884877431056,-0.019911884877431056,B,fcc,168.2125060703 +6,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,24.0,1.0,0.03534542559538216,-0.03534542559538216,B,fcc,168.18653975430001 +7,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,54.0,1.0,0.03192674731480373,-0.03192674731480373,B,fcc,168.192291544 +8,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,42.0,1.0,0.01840210723399192,-0.01840210723399192,B,fcc,168.2150462109 +9,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,70.0,1.0,0.006316373515854115,-0.006316373515854115,B,fcc,168.23537997530002 +10,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,68.0,1.0,0.006249289155279968,0.006249289155279968,B,fcc,168.256521201 +11,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,58.0,1.0,0.008821161128119117,0.008821161128119117,B,fcc,168.2608482729 +12,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,46.0,1.0,0.012839452271940771,0.012839452271940771,B,fcc,168.26760888729999 +13,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,14.0,1.0,0.31842655205508885,-0.31842655205508885,B,fcc,167.7102670624 +14,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,20.0,1.0,0.10748846809056382,0.10748846809056382,B,fcc,168.4268520771 +15,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,16.0,1.0,0.08485105659044903,-0.08485105659044903,B,fcc,168.1032485069 +16,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,18.0,1.0,0.05013046221073039,0.05013046221073039,B,fcc,168.3303495225 +17,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,52.0,1.0,0.006342516033449415,0.006342516033449415,B,fcc,168.2566780515 +18,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,32.0,1.0,0.03158078760360023,-0.03158078760360023,B,fcc,168.1928736074 +19,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,44.0,1.0,0.01974744965255456,-0.01974744965255456,B,fcc,168.212782726 +20,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,56.0,1.0,0.01833980103020421,-0.01833980103020421,B,fcc,168.2151510386 +21,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,38.0,1.0,0.024860600920915608,0.024860600920915608,B,fcc,168.2878339899 +22,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,22.0,1.0,0.17704178393422312,-0.17704178393422312,B,fcc,167.9481412893 +23,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,66.0,1.0,0.0009718843852209623,0.0009718843852209623,B,fcc,168.2476421782 +24,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,8.0,1.0,0.06607540044427848,0.06607540044427848,B,fcc,168.3571762444 +25,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,26.0,1.0,0.04013027516447554,0.04013027516447554,B,fcc,168.3135246071 +26,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,62.0,1.0,0.009005848899016435,0.009005848899016435,B,fcc,168.2611590027 +27,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,28.0,1.0,0.025555519641836125,0.025555519641836125,B,fcc,168.2890031629 +28,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,4.0,1.0,1.2200511956330231,1.2200511956330231,B,fcc,170.2986944418 +29,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,30.0,1.0,0.019459961487708368,0.019459961487708368,B,fcc,168.2787476297 +30,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,168.246007021529,0.00905599698654783,50.0,1.0,0.0415524341210956,-0.0415524341210956,B,fcc,168.17609671030002 +0,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,36.0,1.0,0.0022290495135319274,-0.0022290495135319274,E0,fcc,-5.215618876600001 +1,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,34.0,1.0,0.001036469784041698,-0.001036469784041698,E0,fcc,-5.215681078399999 +2,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,40.0,1.0,0.0007287463852276675,0.0007287463852276675,E0,fcc,-5.2157731474 +3,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,48.0,1.0,0.00020652925109964742,-0.00020652925109964742,E0,fcc,-5.2157243659 +4,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,60.0,1.0,0.0002497017378490243,0.0002497017378490243,E0,fcc,-5.2157481617000006 +5,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,64.0,1.0,0.00019861090423938841,-0.00019861090423938841,E0,fcc,-5.215724778899999 +6,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,24.0,1.0,0.0012056034215284172,0.0012056034215284172,E0,fcc,-5.215798019 +7,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,54.0,1.0,0.00019668715932065736,0.00019668715932065736,E0,fcc,-5.2157453966 +8,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,42.0,1.0,0.0007357528268676056,-0.0007357528268676056,E0,fcc,-5.215696763 +9,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,70.0,1.0,8.307781366129102e-05,-8.307781366129102e-05,E0,fcc,-5.215730804800001 +10,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,68.0,1.0,0.00025516788963912896,0.00025516788963912896,E0,fcc,-5.2157484468 +11,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,58.0,1.0,8.939451787499735e-05,8.939451787499735e-05,E0,fcc,-5.2157398005 +12,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,8.0,1.0,0.1378683029059819,-0.1378683029059819,E0,fcc,-5.2085442924 +13,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,46.0,1.0,0.0007738867142136282,0.0007738867142136282,E0,fcc,-5.2157755018000005 +14,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,14.0,1.0,0.06662916591478818,-0.06662916591478818,E0,fcc,-5.2122599371 +15,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,20.0,1.0,0.0031286075110275604,0.0031286075110275604,E0,fcc,-5.2158983178 +16,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,16.0,1.0,0.006256832643718841,-0.006256832643718841,E0,fcc,-5.2154087981 +17,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,18.0,1.0,0.01822850194919246,0.01822850194919246,E0,fcc,-5.2166858883 +18,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,52.0,1.0,0.0004870910927931678,0.0004870910927931678,E0,fcc,-5.2157605433 +19,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,32.0,1.0,0.002904353408961986,0.002904353408961986,E0,fcc,-5.2158866213 +20,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,38.0,1.0,0.0012564246371355725,0.0012564246371355725,E0,fcc,-5.2158006697 +21,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,44.0,1.0,0.000473434341048825,0.000473434341048825,E0,fcc,-5.215759831000001 +22,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,56.0,1.0,0.00011378872895585335,-0.00011378872895585335,E0,fcc,-5.215729203 +23,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,22.0,1.0,0.01468674114892674,-0.01468674114892674,E0,fcc,-5.2149691164 +24,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,66.0,1.0,0.00021256603311765624,0.00021256603311765624,E0,fcc,-5.2157462248 +25,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,26.0,1.0,0.0038869627371794454,0.0038869627371794454,E0,fcc,-5.2159378716 +26,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,62.0,1.0,8.368295484692851e-05,8.368295484692851e-05,E0,fcc,-5.2157395026 +27,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,28.0,1.0,0.005299510259065292,-0.005299510259065292,E0,fcc,-5.2154587295 +28,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,4.0,1.0,3.147726470765412,3.147726470765412,E0,fcc,-5.3799122135 +29,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,30.0,1.0,0.0014634807800277625,0.0014634807800277625,E0,fcc,-5.2158114692 +30,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,-5.21573513791872,5.20827743525111e-06,50.0,1.0,0.0004956677828907731,-0.0004956677828907731,E0,fcc,-5.2157092852 +0,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,36.0,1.0,0.2645826518455884,-0.2645826518455884,dB,fcc,5.4926081381 +1,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,34.0,1.0,0.4420481774129272,0.4420481774129272,dB,fcc,5.531523564 +2,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,40.0,1.0,0.13293811312646964,0.13293811312646964,dB,fcc,5.5145003189 +3,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,48.0,1.0,0.10080143450839277,-0.10080143450839277,dB,fcc,5.5016278632 +4,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,60.0,1.0,0.2729694930690048,0.2729694930690048,dB,fcc,5.5222120979 +5,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,64.0,1.0,0.10558877599587467,0.10558877599587467,dB,fcc,5.5129941419 +6,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,24.0,1.0,0.19781120169653266,-0.19781120169653266,dB,fcc,5.4962853615 +7,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,54.0,1.0,0.1960479300972319,0.1960479300972319,dB,fcc,5.517975889600001 +8,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,42.0,1.0,0.6860038535181612,0.6860038535181612,dB,fcc,5.5449586402 +9,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,70.0,1.0,0.16595848237459254,0.16595848237459254,dB,fcc,5.5163188098000004 +10,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,68.0,1.0,0.2283333555147122,-0.2283333555147122,dB,fcc,5.4946044518 +11,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,58.0,1.0,0.2276884459297903,0.2276884459297903,dB,fcc,5.5197183895 +12,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,46.0,1.0,0.2208096412332233,0.2208096412332233,dB,fcc,5.5193395614 +13,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,14.0,1.0,6.426992748819263,6.426992748819263,dB,fcc,5.8611251853 +14,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,20.0,1.0,0.6750865371553632,-0.6750865371553632,dB,fcc,5.4700009536000005 +15,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,16.0,1.0,1.2124188780721803,-1.2124188780721803,dB,fcc,5.4404090988 +16,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,18.0,1.0,0.06799697797372367,-0.06799697797372367,dB,fcc,5.5034344634000005 +17,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,52.0,1.0,0.32914286421882977,0.32914286421882977,dB,fcc,5.5253056661 +18,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,32.0,1.0,0.2709209470468634,0.2709209470468634,dB,fcc,5.5220992808 +19,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,44.0,1.0,0.07667073244023681,-0.07667073244023681,dB,fcc,5.502956784199999 +20,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,56.0,1.0,0.10070506164290914,0.10070506164290914,dB,fcc,5.512725187000001 +21,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,38.0,1.0,0.02889478687982288,0.02889478687982288,dB,fcc,5.5087704665 +22,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,22.0,1.0,0.34064144233729515,0.34064144233729515,dB,fcc,5.5259389134 +23,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,66.0,1.0,0.1341406852209902,0.1341406852209902,dB,fcc,5.514566546699999 +24,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,26.0,1.0,0.14629680504684306,0.14629680504684306,dB,fcc,5.515236006 +25,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,62.0,1.0,0.07049757708526883,0.07049757708526883,dB,fcc,5.511061606699999 +26,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,28.0,1.0,0.9626633920095864,0.9626633920095864,dB,fcc,5.5601947766999995 +27,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,4.0,1.0,1.2081676599367532,-1.2081676599367532,dB,fcc,5.440643221 +28,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,8.0,1.0,1.1752011907619846,1.1752011907619846,dB,fcc,5.5718996140999995 +29,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,30.0,1.0,0.307295730487845,0.307295730487845,dB,fcc,5.5241025053 +30,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,5.507179178813192,0.0040119716620805705,50.0,1.0,0.12389004906645468,0.12389004906645468,dB,fcc,5.514002025800001 +0,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,15.294206224365801,2.4508146084730104e-05,36.0,1.0,0.00652319590544921,0.00652319590544921,v0,fcc,15.2952038954 +1,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,15.294206224365801,2.4508146084730104e-05,34.0,1.0,0.0030611145092139533,-0.0030611145092139533,v0,fcc,15.293738051199998 +2,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,15.294206224365801,2.4508146084730104e-05,40.0,1.0,0.0033269393542764304,-0.0033269393542764304,v0,fcc,15.293697395399999 +3,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,15.294206224365801,2.4508146084730104e-05,48.0,1.0,7.153777082147492e-05,7.153777082147492e-05,v0,fcc,15.2942171655 +4,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,15.294206224365801,2.4508146084730104e-05,60.0,1.0,0.000631342119925,-0.000631342119925,v0,fcc,15.294109665599999 +5,TetraBloechl,allKp_without_spin,VASP,Pd,PBE,15.294206224365801,2.4508146084730104e-05,64.0,1.0,0.0006315276045261147,0.0006315276045261147,v0,fcc,15.294302811500001 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+13,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,20.0,1.0,0.015488211558825874,0.015488211558825874,E0,fcc,-8.8499415522 +14,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,68.0,1.0,8.459791643392795e-05,8.459791643392795e-05,E0,fcc,-8.8485785525 +15,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,54.0,1.0,5.62123896008556e-05,-5.62123896008556e-05,E0,fcc,-8.8485660928 +16,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,30.0,1.0,0.0020840505416258627,-0.0020840505416258627,E0,fcc,-8.848386658099999 +17,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,44.0,1.0,0.001555238605238393,-0.001555238605238393,E0,fcc,-8.8484334504 +18,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,48.0,1.0,0.0005405924459025076,0.0005405924459025076,E0,fcc,-8.8486189015 +19,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,46.0,1.0,8.59369629930359e-05,-8.59369629930359e-05,E0,fcc,-8.8485634626 +20,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,36.0,1.0,0.0005335007526766604,-0.0005335007526766604,E0,fcc,-8.8485238596 +21,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,16.0,1.0,0.035412940344712665,-0.035412940344712665,E0,fcc,-8.8454375276 +22,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,22.0,1.0,0.013438716650034823,-0.013438716650034823,E0,fcc,-8.8473819324 +23,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,40.0,1.0,0.00038066153848857114,0.00038066153848857114,E0,fcc,-8.8486047499 +24,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,38.0,1.0,0.0008064589491775509,-0.0008064589491775509,E0,fcc,-8.8484997067 +25,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,26.0,1.0,0.002576905412588973,0.002576905412588973,E0,fcc,-8.8487990861 +26,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,28.0,1.0,0.0008330283635598237,0.0008330283635598237,E0,fcc,-8.848644777899999 +27,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,60.0,1.0,0.00016942275911083077,-0.00016942275911083077,E0,fcc,-8.8485560753 +28,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,6.0,1.0,0.7006636486868546,-0.7006636486868546,E0,fcc,-8.7865723459 +29,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,56.0,1.0,0.00010197910120377456,-0.00010197910120377456,E0,fcc,-8.8485620431 +30,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,8.0,1.0,0.46889256672126,-0.46889256672126,E0,fcc,-8.807080774800001 +31,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,52.0,1.0,0.00024850219405072585,-0.00024850219405072585,E0,fcc,-8.8485490779 +32,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,58.0,1.0,0.0001968791696450744,-0.0001968791696450744,E0,fcc,-8.848553645800001 +33,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,-8.848571066793243,6.7500478733722e-06,50.0,1.0,0.00035403900816102584,-0.00035403900816102584,E0,fcc,-8.848539739400001 +0,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,4.0,1.0,0.7655106815374682,-0.7655106815374682,dB,fcc,5.1163993398 +1,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,66.0,1.0,0.10621420224567267,-0.10621420224567267,dB,fcc,5.1503917964 +2,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,24.0,1.0,0.14332216888754531,-0.14332216888754531,dB,fcc,5.1484785586 +3,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,42.0,1.0,0.056777541530616524,-0.056777541530616524,dB,fcc,5.1529406854 +4,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,14.0,1.0,0.039781722597458005,-0.039781722597458005,dB,fcc,5.1538169674 +5,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,18.0,1.0,0.19611380490393626,-0.19611380490393626,dB,fcc,5.1457566915 +6,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,12.0,1.0,0.0975691253463293,0.0975691253463293,dB,fcc,5.1608985959 +7,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,10.0,1.0,0.13041612295718708,-0.13041612295718708,dB,fcc,5.1491439773000005 +8,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,34.0,1.0,0.02539559030524584,-0.02539559030524584,dB,fcc,5.1545586974 +9,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,70.0,1.0,0.03163143257709555,-0.03163143257709555,dB,fcc,5.1542371856 +10,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,62.0,1.0,0.020131640630530225,-0.020131640630530225,dB,fcc,5.154830099700001 +11,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,64.0,1.0,0.08398823589923626,-0.08398823589923626,dB,fcc,5.1515377379 +12,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,32.0,1.0,0.05910493623100309,-0.05910493623100309,dB,fcc,5.152820688 +13,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,20.0,1.0,3.981619864804566e-05,3.981619864804566e-05,dB,fcc,5.1558701134 +14,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,68.0,1.0,0.031160866643756287,0.031160866643756287,dB,fcc,5.1574746737 +15,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,54.0,1.0,0.036761253528596834,-0.036761253528596834,dB,fcc,5.1539726988 +16,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,30.0,1.0,0.4079515628096063,-0.4079515628096063,dB,fcc,5.1348346162 +17,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,44.0,1.0,0.02489988134410152,-0.02489988134410152,dB,fcc,5.1545842555000005 +18,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,48.0,1.0,0.062222777845896714,-0.062222777845896714,dB,fcc,5.1526599362 +19,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,46.0,1.0,0.0039250416863508475,0.0039250416863508475,dB,fcc,5.1560704305 +20,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,36.0,1.0,0.04405028491819505,0.04405028491819505,dB,fcc,5.1581392351 +21,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,16.0,1.0,0.23469753661787865,-0.23469753661787865,dB,fcc,5.1437673651999996 +22,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,22.0,1.0,0.01887177906625612,-0.01887177906625612,dB,fcc,5.1548950565 +23,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,40.0,1.0,0.1526479990747186,-0.1526479990747186,dB,fcc,5.1479977311 +24,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,38.0,1.0,0.22316149083437872,-0.22316149083437872,dB,fcc,5.1443621485 +25,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,26.0,1.0,0.20041118407265207,-0.20041118407265207,dB,fcc,5.1455351243 +26,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,28.0,1.0,0.2757904714084316,-0.2757904714084316,dB,fcc,5.1416486677 +27,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,60.0,1.0,0.12832673861424362,-0.12832673861424362,dB,fcc,5.1492517032 +28,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,6.0,1.0,1.1473407471807484,-1.1473407471807484,dB,fcc,5.0967126854 +29,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,56.0,1.0,0.16208627977328818,-0.16208627977328818,dB,fcc,5.1475111058 +30,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,8.0,1.0,0.10017114225378776,-0.10017114225378776,dB,fcc,5.1507033686 +31,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,52.0,1.0,0.09209587354806886,-0.09209587354806886,dB,fcc,5.1511197187999995 +32,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,58.0,1.0,0.05115793302630984,-0.05115793302630984,dB,fcc,5.153230425 +33,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,5.155868060529331,0.00104496385421771,50.0,1.0,0.10682869624801056,-0.10682869624801056,dB,fcc,5.1503601139 +0,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,4.0,1.0,1.0962871054848795,-1.0962871054848795,v0,fcc,14.359951013900002 +1,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,66.0,1.0,0.0004090462326609953,0.0004090462326609953,v0,fcc,14.5191816692 +2,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,24.0,1.0,0.00313544382327299,0.00313544382327299,v0,fcc,14.5195775182 +3,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,42.0,1.0,0.0006175964054600491,-0.0006175964054600491,v0,fcc,14.5190326097 +4,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,14.0,1.0,0.006939205813694075,-0.006939205813694075,v0,fcc,14.5181147675 +5,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,10.0,1.0,0.022879452444889987,-0.022879452444889987,v0,fcc,14.515800383599998 +6,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,18.0,1.0,0.0027957208079825943,0.0027957208079825943,v0,fcc,14.5195281934 +7,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,12.0,1.0,0.025931515038450842,-0.025931515038450842,v0,fcc,14.5153572509 +8,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,34.0,1.0,0.00022408845849438683,-0.00022408845849438683,v0,fcc,14.519089743599999 +9,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,70.0,1.0,9.046154750436921e-05,9.046154750436921e-05,v0,fcc,14.519135413499999 +10,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,62.0,1.0,0.00018481955579255311,-0.00018481955579255311,v0,fcc,14.5190954451 +11,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,64.0,1.0,0.00029956854046205944,0.00029956854046205944,v0,fcc,14.519165774000001 +12,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,32.0,1.0,0.00018988353543861867,0.00018988353543861867,v0,fcc,14.5191498487 +13,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,20.0,1.0,0.012865378783718514,-0.012865378783718514,v0,fcc,14.5172543392 +14,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,68.0,1.0,2.987630530678997e-05,-2.987630530678997e-05,v0,fcc,14.519117941500001 +15,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,54.0,1.0,0.000534302426873967,0.000534302426873967,v0,fcc,14.5191998553 +16,TetraBloechl,allKp_without_spin,VASP,Ir,PBE,14.519122279277301,1.2244994332439e-05,30.0,1.0,0.0016048444128716622,0.0016048444128716622,v0,fcc,14.519355288599998 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+3,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +4,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +5,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +6,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +7,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +8,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +9,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +10,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +11,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +12,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +13,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +14,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +15,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +16,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +17,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +18,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +19,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +20,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +21,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +22,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +23,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +24,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +25,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +26,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +27,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +28,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +29,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +30,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +31,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +32,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +33,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +34,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +35,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +36,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +37,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +38,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +39,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +40,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +41,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +42,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +43,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +44,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +45,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +46,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +47,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +48,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +49,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +50,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +51,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +52,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +53,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +54,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +55,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +56,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +57,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +58,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +59,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +60,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +61,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +62,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +63,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +64,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +65,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +66,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +67,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +68,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +69,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +70,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +71,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +72,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +73,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +74,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +75,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +76,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +77,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +78,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +79,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +80,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +81,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +82,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +83,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +84,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +85,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +86,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +87,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +88,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +89,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +90,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +91,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +92,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +93,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +94,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +95,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +96,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +97,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +98,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +99,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +100,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +101,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +102,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +103,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +104,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +105,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +106,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +107,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +108,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +109,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +110,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +111,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +112,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +113,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +114,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +115,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +116,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +117,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +118,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +119,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +120,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +121,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +122,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +123,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +124,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +125,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +126,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +127,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +128,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +129,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +130,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +131,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +132,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +133,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +134,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +135,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +136,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +137,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +138,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +139,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +140,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +141,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +142,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +143,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +144,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +145,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +146,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +147,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +148,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +149,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +150,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +151,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +152,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +153,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +154,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +155,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +156,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +157,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +158,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +159,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +160,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +161,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +162,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +163,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +164,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +165,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +166,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +167,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +168,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +169,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +170,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +171,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +172,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +173,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +174,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +175,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +176,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +177,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +178,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +179,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +180,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +181,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +182,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +183,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +184,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +185,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +186,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +187,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +188,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +189,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +190,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +191,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +192,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +193,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +194,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +195,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +196,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +197,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +198,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +199,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +200,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +201,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +202,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +203,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +204,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +205,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +206,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +207,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +208,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +209,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +210,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +211,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +212,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +213,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +214,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +215,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +216,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +217,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +218,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +219,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +220,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +221,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +222,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +223,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +224,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +225,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +226,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +227,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +228,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +229,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +230,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +231,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +232,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +233,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +234,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +235,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +236,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +237,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +238,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +239,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +240,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +241,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +242,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +243,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +244,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +245,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +246,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +247,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +248,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +249,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +250,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +251,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +252,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +253,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +254,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +255,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +256,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +257,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +258,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +259,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +260,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +261,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +262,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +263,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +264,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +265,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +266,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +267,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +268,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +269,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +270,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +271,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +272,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +273,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +274,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +275,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +276,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +277,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +278,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +279,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +280,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +281,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +282,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +283,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +284,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +285,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +286,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +287,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +288,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +289,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +290,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +291,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +292,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +293,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +294,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +295,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +296,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +297,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +298,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +299,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +300,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +301,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +302,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +303,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +304,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +305,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +306,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +307,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +308,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +309,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +310,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +311,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +312,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +313,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +314,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +315,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +316,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +317,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +318,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +319,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +320,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +321,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +322,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +323,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +324,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +325,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +326,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +327,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +328,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +329,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +330,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +331,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +332,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +333,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +334,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +335,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +336,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +337,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +338,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +339,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +340,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +341,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +342,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +343,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +344,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +345,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +346,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +347,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +348,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +349,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +350,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +351,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +352,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +353,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +354,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +355,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +356,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +357,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +358,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +359,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +360,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +361,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +362,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +363,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +364,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +365,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +366,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +367,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +368,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +369,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +370,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +371,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +372,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +373,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +374,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +375,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +376,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +377,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +378,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +379,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +380,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +381,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +382,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +383,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +384,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +385,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +386,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +387,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +388,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +389,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +390,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +391,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +392,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +393,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +394,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +395,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +396,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +397,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +398,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +399,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +400,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +401,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +402,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +403,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +404,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +405,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +406,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +407,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +408,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +409,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +410,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +411,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +412,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +413,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +414,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +415,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +416,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +417,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +418,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +419,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +420,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +421,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +422,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +423,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +424,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +425,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +426,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +427,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +428,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +429,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +430,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +431,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +432,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +433,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +434,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +435,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +436,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +437,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +438,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +439,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +440,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +441,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +442,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +443,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +444,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +445,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +446,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +447,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +448,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +449,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +450,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +451,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +452,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +453,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +454,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +455,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +456,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +457,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +458,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +459,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +460,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +461,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +462,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +463,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +464,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +465,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +466,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +467,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +468,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +469,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +470,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +471,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +472,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +473,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +474,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +475,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +476,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +477,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +478,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +479,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +480,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +481,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +482,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +483,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +484,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +485,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +486,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +487,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +488,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +489,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +490,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +491,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +492,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +493,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +494,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +495,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +496,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +497,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +498,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +499,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +500,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +501,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +502,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +503,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +504,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +505,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +506,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +507,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +508,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +509,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +510,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +511,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +512,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +513,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +514,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +515,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +516,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +517,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +518,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +519,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +520,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +521,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +522,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +523,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +524,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +525,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +526,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +527,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +528,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +529,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +530,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +531,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +532,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +533,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +534,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +535,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +536,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +537,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +538,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +539,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +540,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +541,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +542,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +543,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +544,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +545,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +546,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +547,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +548,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +549,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +550,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +551,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +552,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +553,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +554,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +555,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +556,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +557,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +558,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +559,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +560,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +561,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +562,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +563,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +564,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +565,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +566,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +567,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +568,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +569,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +570,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +571,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +572,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +573,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +574,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +575,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +576,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +577,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +578,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +579,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +580,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +581,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +582,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +583,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +584,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +585,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +586,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +587,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +588,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +589,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +590,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +591,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +592,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +593,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +594,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +595,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +596,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +597,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +598,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +599,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +600,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +601,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +602,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +603,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +604,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +605,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +606,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +607,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +608,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +609,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +610,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +611,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +612,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +613,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +614,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +615,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +616,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +617,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +618,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +619,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +620,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +621,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +622,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +623,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +624,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +625,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +626,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +627,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +628,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +629,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +630,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +631,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +632,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +633,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +634,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +635,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +636,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +637,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +638,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +639,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +640,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +641,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +642,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +643,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +644,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +645,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +646,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +647,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +648,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +649,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +650,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +651,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +652,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +653,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +654,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +655,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +656,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +657,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +658,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +659,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +660,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +661,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +662,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +663,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +664,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +665,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +666,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +667,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +668,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +669,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +670,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +671,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +672,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +673,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +674,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +675,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +676,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +677,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +678,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +679,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +680,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +681,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +682,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +683,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +684,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +685,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +686,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +687,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +688,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +689,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +690,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +691,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +692,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +693,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +694,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +695,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +696,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +697,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +698,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +699,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +700,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +701,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +702,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +703,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +704,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +705,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +706,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +707,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +708,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +709,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +710,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +711,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +712,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +713,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +714,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +715,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +716,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +717,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +718,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +719,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +720,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +721,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +722,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +723,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +724,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +725,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +726,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +727,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +728,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +729,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +730,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +731,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +732,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +733,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +734,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +735,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +736,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +737,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +738,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +739,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +740,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +741,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +742,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +743,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +744,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +745,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +746,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +747,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +748,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +749,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +750,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +751,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +752,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +753,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +754,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +755,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +756,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +757,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +758,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +759,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +760,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +761,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +762,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +763,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +764,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +765,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +766,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +767,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +768,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +769,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +770,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +771,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +772,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +773,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +774,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +775,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +776,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +777,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +778,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +779,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +780,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +781,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +782,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +783,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +784,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +785,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +786,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +787,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +788,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +789,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +790,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +791,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +792,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +793,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +794,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +795,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +796,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +797,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +798,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +799,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +800,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +801,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +802,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +803,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +804,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +805,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +806,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +807,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +808,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +809,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +810,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +811,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +812,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +813,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +814,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +815,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +816,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +817,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +818,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +819,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +820,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +821,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +822,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +823,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +824,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +825,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +826,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +827,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +828,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +829,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +830,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +831,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +832,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +833,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +834,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +835,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +836,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +837,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +838,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +839,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +840,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +841,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +842,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +843,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +844,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +845,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +846,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +847,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +848,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +849,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +850,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +851,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +852,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +853,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +854,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +855,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +856,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +857,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +858,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +859,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +860,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +861,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +862,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +863,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +864,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +865,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +866,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +867,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +868,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +869,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +870,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +871,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +872,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +873,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +874,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +875,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +876,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +877,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +878,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +879,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +880,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +881,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +882,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +883,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +884,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +885,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +886,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +887,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +888,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +889,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +890,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +891,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +892,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +893,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +894,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +895,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +896,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +897,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +898,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +899,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +900,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +901,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +902,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +903,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +904,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +905,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +906,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +907,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +908,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +909,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +910,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +911,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +912,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +913,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +914,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +915,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +916,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +917,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +918,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +919,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +920,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +921,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +922,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +923,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +924,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +925,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +926,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +927,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +928,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +929,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +930,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +931,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +932,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +933,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +934,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +935,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +936,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +937,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +938,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +939,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +940,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +941,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +942,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +943,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +944,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +945,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +946,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +947,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +948,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +949,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +950,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +951,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +952,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +953,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +954,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +955,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +956,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +957,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +958,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +959,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +960,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +961,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +962,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +963,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +964,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +965,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +966,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +967,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +968,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +969,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +970,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +971,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +972,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +973,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +974,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +975,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +976,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +977,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +978,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +979,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +980,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +981,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +982,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +983,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +984,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +985,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +986,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +987,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +988,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +989,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +990,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +991,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +992,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +993,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +994,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +995,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +996,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +997,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +998,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +999,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +1000,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +1001,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +1002,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +1003,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +1004,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +1005,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +1006,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +1007,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +1008,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +1009,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +1010,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +1011,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +1012,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +1013,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +1014,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +1015,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +1016,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +1017,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +1018,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,2.886338502388468,-2.886338502388468,E0,fcc,-2.6390945079 +1019,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,0.1841565853115359,-0.1841565853115359,E0,fcc,-2.7125271573000003 +1020,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +1021,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,0.04581877161267855,-0.04581877161267855,E0,fcc,-2.7162865312 +1022,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,0.03127148726035492,0.03127148726035492,E0,fcc,-2.7183814833999995 +1023,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,0.017901368932031942,0.017901368932031942,E0,fcc,-2.7180181462 +1024,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,0.02186544048846151,0.02186544048846151,E0,fcc,-2.7181258711000003 +1025,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,0.0212077075835464,0.0212077075835464,E0,fcc,-2.718107997 +1026,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,0.013191823082985443,0.013191823082985443,E0,fcc,-2.7178901628 +1027,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +1028,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +1029,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +1030,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +1031,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,0.013578239922683649,0.013578239922683649,E0,fcc,-2.7179006638 +1032,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,0.00393204507559187,0.00393204507559187,E0,fcc,-2.7176385254000004 +1033,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,8.961331587305216e-05,8.961331587305216e-05,E0,fcc,-2.7175341061 +1034,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,0.0003731926979325601,-0.0003731926979325601,E0,fcc,-2.7175215292000003 +1035,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,0.0018309677967716762,-0.0018309677967716762,E0,fcc,-2.7174819137 +1036,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,0.0019168398410592624,-0.0019168398410592624,E0,fcc,-2.7174795801 +1037,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,0.001828634797269175,-0.001828634797269175,E0,fcc,-2.7174819771000003 +1038,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,0.0015721226073756801,-0.0015721226073756801,E0,fcc,-2.7174889479 +1039,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,0.0013994401672749975,-0.0013994401672749975,E0,fcc,-2.7174936406 +1040,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,0.000790232915785124,-0.000790232915785124,E0,fcc,-2.717510196 +1041,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,0.0004783248673494279,-0.0004783248673494279,E0,fcc,-2.7175186722 +1042,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,0.009790854439568395,0.009790854439568395,E0,fcc,-2.7177977404 +1043,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,0.00020327747489183045,-0.00020327747489183045,E0,fcc,-2.7175261467 +1044,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,0.00016979637402765032,0.00016979637402765032,E0,fcc,-2.7175362851 +1045,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,0.00013899268518863665,0.00013899268518863665,E0,fcc,-2.717535448 +1046,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,0.00033349271831210534,0.00033349271831210534,E0,fcc,-2.7175407336 +1047,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,0.00028996792658960644,0.00028996792658960644,E0,fcc,-2.7175395507999998 +1048,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,0.00020254668231194613,0.00020254668231194613,E0,fcc,-2.7175371751 +1049,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,8.727414030963419e-06,8.727414030963419e-06,E0,fcc,-2.717531908 +1050,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,5.901052699063665e-05,-5.901052699063665e-05,E0,fcc,-2.7175300672000002 +1051,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,0.00034511942806759733,-0.00034511942806759733,E0,fcc,-2.7175222921 +1052,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,0.007594776997651381,0.007594776997651381,E0,fcc,-2.7177380613 +1053,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,0.004843868855452588,0.004843868855452588,E0,fcc,-2.7176633045000003 +0,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +1,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +2,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +3,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +4,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +5,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +6,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +7,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +8,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +9,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +10,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +11,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +12,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +13,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +14,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +15,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +16,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +17,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +18,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +19,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +20,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +21,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +22,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +23,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +24,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +25,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +26,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +27,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +28,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +29,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +30,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +31,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +32,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +33,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +34,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +35,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +36,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +37,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +38,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +39,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +40,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +41,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +42,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +43,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +44,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +45,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +46,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +47,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +48,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +49,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +50,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +51,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +52,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +53,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +54,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +55,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +56,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +57,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +58,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +59,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +60,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +61,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +62,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +63,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +64,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +65,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +66,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +67,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +68,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +69,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +70,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +71,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +72,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +73,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +74,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +75,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +76,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +77,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +78,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +79,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +80,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +81,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +82,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +83,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +84,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +85,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +86,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +87,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +88,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +89,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +90,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +91,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +92,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +93,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +94,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +95,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +96,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +97,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +98,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +99,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +100,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +101,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +102,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +103,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +104,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +105,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +106,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +107,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +108,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +109,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +110,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +111,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +112,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 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+119,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +120,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +121,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +122,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +123,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +124,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +125,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +126,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +127,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +128,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +129,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +130,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +131,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +132,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +133,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +134,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +135,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +136,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 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+161,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +162,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +163,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +164,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +165,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +166,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 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+185,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +186,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +187,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +188,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +189,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +190,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +191,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +192,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +193,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +194,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +195,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +196,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +197,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +198,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +199,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +200,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +201,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +202,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 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+209,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +210,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +211,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +212,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +213,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +214,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 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+353,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +354,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +355,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +356,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +357,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +358,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +359,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +360,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +361,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +362,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +363,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +364,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +365,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +366,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +367,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +368,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +369,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +370,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +371,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +372,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +373,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +374,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +375,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +376,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +377,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +378,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +379,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +380,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +381,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +382,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 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+395,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +396,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +397,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +398,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +399,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +400,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 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+431,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +432,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +433,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +434,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +435,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +436,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +437,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +438,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +439,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +440,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +441,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +442,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +443,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +444,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +445,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +446,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +447,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +448,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 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+455,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +456,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +457,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +458,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +459,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +460,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 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+473,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +474,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +475,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +476,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +477,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +478,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +479,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +480,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +481,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +482,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +483,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +484,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +485,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +486,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +487,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +488,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +489,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +490,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 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+599,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +600,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +601,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +602,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +603,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +604,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 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+653,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +654,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +655,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +656,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +657,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +658,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +659,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +660,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +661,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +662,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +663,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +664,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +665,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +666,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +667,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +668,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +669,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +670,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +671,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +672,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +673,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +674,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +675,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +676,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +677,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +678,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +679,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +680,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +681,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +682,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +683,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +684,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +685,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +686,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +687,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +688,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +689,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +690,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +691,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +692,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +693,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +694,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +695,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +696,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +697,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +698,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +699,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +700,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +701,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +702,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +703,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +704,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +705,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +706,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +707,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +708,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +709,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +710,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +711,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +712,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +713,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +714,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +715,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +716,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +717,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +718,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +719,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +720,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +721,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +722,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +723,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +724,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 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+731,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +732,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +733,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +734,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +735,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +736,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +737,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +738,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +739,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +740,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +741,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +742,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +743,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +744,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +745,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +746,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +747,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +748,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +749,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +750,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +751,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +752,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +753,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +754,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +755,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +756,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +757,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +758,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +759,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +760,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +761,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +762,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +763,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +764,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +765,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +766,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +767,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +768,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +769,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +770,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +771,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +772,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +773,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +774,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +775,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +776,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +777,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +778,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +779,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +780,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +781,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +782,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +783,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +784,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +785,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +786,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +787,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +788,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +789,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +790,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +791,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +792,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +793,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +794,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +795,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +796,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +797,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +798,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +799,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +800,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +801,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +802,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +803,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +804,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +805,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +806,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +807,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +808,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +809,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +810,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +811,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +812,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +813,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +814,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +815,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +816,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +817,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +818,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +819,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +820,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +821,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +822,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +823,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +824,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +825,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +826,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +827,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +828,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +829,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +830,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +831,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +832,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +833,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +834,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +835,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +836,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +837,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +838,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +839,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +840,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +841,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +842,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +843,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +844,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +845,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +846,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +847,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +848,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +849,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +850,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +851,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +852,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +853,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +854,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +855,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +856,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +857,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +858,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +859,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +860,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +861,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +862,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +863,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +864,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +865,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +866,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +867,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +868,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +869,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +870,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +871,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +872,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +873,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +874,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +875,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +876,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +877,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +878,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +879,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +880,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +881,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +882,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +883,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +884,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +885,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +886,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +887,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +888,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +889,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +890,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +891,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +892,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +893,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +894,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +895,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +896,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +897,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +898,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +899,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +900,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +901,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +902,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +903,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +904,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +905,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +906,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +907,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +908,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +909,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +910,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +911,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +912,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +913,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +914,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +915,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +916,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +917,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +918,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +919,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +920,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +921,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +922,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +923,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +924,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +925,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +926,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +927,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +928,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +929,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +930,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +931,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +932,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +933,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +934,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +935,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +936,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +937,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +938,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +939,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +940,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +941,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +942,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +943,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +944,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +945,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +946,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +947,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +948,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +949,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +950,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +951,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +952,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +953,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +954,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +955,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 +956,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,fcc,5.774078851900001 +957,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,fcc,5.7840434861 +958,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +959,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +960,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +961,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +962,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +963,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +964,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +965,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +966,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +967,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +968,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +969,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 +970,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.3724788550181152,0.3724788550181152,dB,fcc,5.8107535329 +971,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.3693003286088624,-0.3693003286088624,dB,fcc,5.7678105264 +972,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.054403745082536564,-0.054403745082536564,dB,fcc,5.786040487999999 +973,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134445,0.0017646063866134445,dB,fcc,5.7892921806 +974,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,fcc,5.7905131807000005 +975,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.2795184320345939,-0.2795184320345939,dB,fcc,5.773008171 +976,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367002,-0.17971048004367002,dB,fcc,5.778786243 +977,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,fcc,5.777429004199999 +978,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,fcc,5.798241568 +979,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.025643360762014882,-0.025643360762014882,dB,fcc,5.7877054813 +980,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881286,15.179691943881286,dB,fcc,6.6679712359000005 +981,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +982,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 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+989,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279203,-0.07486632957279203,dB,fcc,5.7848558701 +990,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,fcc,5.805153785 +991,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,fcc,5.7600968083 +992,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,fcc,5.7734439723 +993,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,fcc,5.811001719 +994,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,fcc,5.771233229 +995,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.47041154855012,-1.47041154855012,dB,fcc,5.7040651055 +996,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,fcc,5.7549201006 +997,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,fcc,5.8125487608 +998,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,fcc,5.790507814600001 +999,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,fcc,5.7968412321 +1000,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,fcc,5.7811852464 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+1019,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156702,6.905179575156702,dB,fcc,6.1889439913 +1020,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,fcc,5.948303996799999 +1021,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,fcc,5.8481056722 +1022,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685545,-6.052875452685545,dB,fcc,5.4387775623 +1023,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,fcc,5.754528215700001 +1024,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,fcc,5.648902934 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+79,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,fcc,17.9372819057 +80,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421039,0.0018611276201421039,v0,fcc,17.937478872899998 +81,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,fcc,18.5039823399 +82,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,fcc,17.9962150596 +83,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.037975220947975286,0.037975220947975286,v0,fcc,17.9439567102 +84,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,fcc,17.9222041276 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+157,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,fcc,17.9381461798 +158,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,fcc,17.9385864277 +159,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,fcc,17.9391192401 +160,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,fcc,17.938608609 +161,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,fcc,17.9386750121 +162,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,fcc,17.9383521533 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+715,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,fcc,17.9381461798 +716,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,fcc,17.9385864277 +717,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,fcc,17.9391192401 +718,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,fcc,17.938608609 +719,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,fcc,17.9386750121 +720,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,fcc,17.9383521533 +721,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.0065679418769782035,0.0065679418769782035,v0,fcc,17.938323140999998 +722,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,fcc,17.937689700500005 +723,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,fcc,17.9380056511 +724,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,fcc,17.9376560751 +725,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,fcc,18.5039823399 +726,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,fcc,17.9962150596 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+859,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,fcc,17.9222041276 +860,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.018106631976282192,-0.018106631976282192,v0,fcc,17.9338972269 +861,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,fcc,17.940275799000002 +862,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.00046932072642163586,-0.00046932072642163586,v0,fcc,17.937060857 +863,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,fcc,17.9374308439 +864,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,fcc,17.9360533844 +865,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,fcc,17.935960173599998 +866,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,fcc,17.9359272389 +867,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,fcc,17.9365897695 +868,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.0048469031023179315,-0.0048469031023179315,v0,fcc,17.9362756437 +869,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600933,-0.0032734866005600933,v0,fcc,17.9365578697 +870,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,fcc,17.9381461798 +871,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,fcc,17.9385864277 +872,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,fcc,17.9391192401 +873,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,fcc,17.938608609 +874,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,fcc,17.9386750121 +875,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,fcc,17.9383521533 +876,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.0065679418769782035,0.0065679418769782035,v0,fcc,17.938323140999998 +877,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,fcc,17.937689700500005 +878,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,fcc,17.9380056511 +879,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,fcc,17.9376560751 +880,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104227,0.0019131827269104227,v0,fcc,17.9374882101 +881,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,fcc,17.9374937521 +882,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.0018451462586196981,0.0018451462586196981,v0,fcc,17.937476006300002 +883,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,fcc,17.9373409455 +884,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.0014218408784449552,0.0014218408784449552,v0,fcc,17.9374000774 +885,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,fcc,17.9372819057 +886,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421039,0.0018611276201421039,v0,fcc,17.937478872899998 +887,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,fcc,18.5039823399 +888,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,fcc,17.9962150596 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+937,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,fcc,17.9383521533 +938,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.0065679418769782035,0.0065679418769782035,v0,fcc,17.938323140999998 +939,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,fcc,17.937689700500005 +940,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,fcc,17.9380056511 +941,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,fcc,17.9376560751 +942,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104227,0.0019131827269104227,v0,fcc,17.9374882101 +943,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,fcc,17.9374937521 +944,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.0018451462586196981,0.0018451462586196981,v0,fcc,17.937476006300002 +945,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,fcc,17.9373409455 +946,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.0014218408784449552,0.0014218408784449552,v0,fcc,17.9374000774 +947,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,fcc,17.9372819057 +948,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421039,0.0018611276201421039,v0,fcc,17.937478872899998 +949,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,fcc,18.5039823399 +950,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,fcc,17.9962150596 +951,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.037975220947975286,0.037975220947975286,v0,fcc,17.9439567102 +952,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,fcc,17.9222041276 +953,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.018106631976282192,-0.018106631976282192,v0,fcc,17.9338972269 +954,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,fcc,17.940275799000002 +955,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.00046932072642163586,-0.00046932072642163586,v0,fcc,17.937060857 +956,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,fcc,17.9374308439 +957,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,fcc,17.9360533844 +958,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,fcc,17.935960173599998 +959,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,fcc,17.9359272389 +960,TetraBloechl,allKp_without_spin,VASP,Ag,PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,fcc,17.9365897695 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+7714,Mo,FindHistory,18.0,B,0.02578844212797997 +7798,Nb,FindHistory,18.0,B,0.015140486938544247 +7930,Ni,FindHistory,18.0,B,0.03857034237787597 +8150,Os,hcp,18.0,B,0.036905340903605366 +8350,Pd,FindHistory,18.0,B,0.05013046221073039 +8501,Re,hcp,18.0,B,0.00031663824914255733 +8724,Rh,FindHistory,18.0,B,0.02425446499932709 +8867,Sc,hcp,18.0,B,0.1907630572187943 +8981,Ta,FindHistory,18.0,B,0.03360224225643118 +9263,Tc,hcp,18.0,B,0.03268209053358713 +9493,Ti,hcp,18.0,B,0.2306398692347583 +9733,V,FindHistory,18.0,B,0.10691255319439397 +9928,Y,hcp,18.0,B,0.15981766282874826 +2153,Ag,FindHistory,20.0,B,0.06086656927499168 +2190,Ag,FindHistory,20.0,B,0.06086656927499168 +2221,Ag,FindHistory,20.0,B,0.06086656927499168 +2252,Ag,FindHistory,20.0,B,0.06086656927499168 +2283,Ag,FindHistory,20.0,B,0.06086656927499168 +2314,Ag,FindHistory,20.0,B,0.06086656927499168 +2345,Ag,FindHistory,20.0,B,0.06086656927499168 +2376,Ag,FindHistory,20.0,B,0.06086656927499168 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+8869,Sc,hcp,20.0,B,0.17119510947839045 +8988,Ta,FindHistory,20.0,B,0.1690757458851396 +9223,Tc,hcp,20.0,B,0.03647603203904505 +9483,Ti,hcp,20.0,B,0.09030469156340318 +9724,V,FindHistory,20.0,B,0.009609977210456212 +9939,Y,hcp,20.0,B,0.011785220939084944 +10095,Zn,hcp,20.0,B,0.2099387053667806 +10106,Zn,hcp,20.0,B,0.2099387053667806 +2154,Ag,FindHistory,22.0,B,0.045888814739645616 +2191,Ag,FindHistory,22.0,B,0.045888814739645616 +2222,Ag,FindHistory,22.0,B,0.045888814739645616 +2253,Ag,FindHistory,22.0,B,0.045888814739645616 +2284,Ag,FindHistory,22.0,B,0.045888814739645616 +2315,Ag,FindHistory,22.0,B,0.045888814739645616 +2346,Ag,FindHistory,22.0,B,0.045888814739645616 +2377,Ag,FindHistory,22.0,B,0.045888814739645616 +2408,Ag,FindHistory,22.0,B,0.045888814739645616 +2447,Ag,FindHistory,22.0,B,0.045888814739645616 +2466,Ag,FindHistory,22.0,B,0.045888814739645616 +2495,Ag,FindHistory,22.0,B,0.045888814739645616 +2532,Ag,FindHistory,22.0,B,0.045888814739645616 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+3067,Ag,FindHistory,38.0,B,0.10604234623109594 +3098,Ag,FindHistory,38.0,B,0.10604234623109594 +3129,Ag,FindHistory,38.0,B,0.10604234623109594 +3169,Ag,FindHistory,38.0,B,0.10604234623109594 +6365,Au,FindHistory,38.0,B,0.02133780898315428 +6537,Cd,bcc,38.0,B,1.9526620052640888 +6760,Cd,fcc,38.0,B,0.08424362746595276 +7025,Cd,hcp,38.0,B,0.6754968648826537 +7184,Cr,FindHistory,38.0,B,0.0057803001941284324 +7307,Fe,FindHistory,38.0,B,0.0012886165696949575 +7586,Ir,FindHistory,38.0,B,0.004299132231602512 +7708,Mo,FindHistory,38.0,B,0.016690466676009 +7786,Nb,FindHistory,38.0,B,0.01756736483257381 +7905,Ni,FindHistory,38.0,B,0.08443524751086423 +8103,Os,hcp,38.0,B,0.030282532045244937 +8355,Pd,FindHistory,38.0,B,0.024860600920915608 +8461,Re,hcp,38.0,B,0.009533284816132914 +8708,Rh,FindHistory,38.0,B,0.008014658756199174 +8855,Sc,hcp,38.0,B,0.11703755393870174 +8990,Ta,FindHistory,38.0,B,0.02155263177000623 +9250,Tc,hcp,38.0,B,0.0010604717769057373 +9480,Ti,hcp,38.0,B,0.06713492421204892 +9737,V,FindHistory,38.0,B,0.012048182751557116 +9906,Y,hcp,38.0,B,0.026751709026188186 +9940,Y,hcp,38.0,B,0.026751709026188186 +2138,Ag,FindHistory,40.0,B,0.09873738348911837 +2164,Ag,FindHistory,40.0,B,0.09873738348911837 +2200,Ag,FindHistory,40.0,B,0.09873738348911837 +2231,Ag,FindHistory,40.0,B,0.09873738348911837 +2262,Ag,FindHistory,40.0,B,0.09873738348911837 +2293,Ag,FindHistory,40.0,B,0.09873738348911837 +2324,Ag,FindHistory,40.0,B,0.09873738348911837 +2355,Ag,FindHistory,40.0,B,0.09873738348911837 +2386,Ag,FindHistory,40.0,B,0.09873738348911837 +2417,Ag,FindHistory,40.0,B,0.09873738348911837 +2457,Ag,FindHistory,40.0,B,0.09873738348911837 +2479,Ag,FindHistory,40.0,B,0.09873738348911837 +2505,Ag,FindHistory,40.0,B,0.09873738348911837 +2541,Ag,FindHistory,40.0,B,0.09873738348911837 +2572,Ag,FindHistory,40.0,B,0.09873738348911837 +2603,Ag,FindHistory,40.0,B,0.09873738348911837 +2634,Ag,FindHistory,40.0,B,0.09873738348911837 +2665,Ag,FindHistory,40.0,B,0.09873738348911837 +2696,Ag,FindHistory,40.0,B,0.09873738348911837 +2727,Ag,FindHistory,40.0,B,0.09873738348911837 +2758,Ag,FindHistory,40.0,B,0.09873738348911837 +2789,Ag,FindHistory,40.0,B,0.09873738348911837 +2829,Ag,FindHistory,40.0,B,0.09873738348911837 +2851,Ag,FindHistory,40.0,B,0.09873738348911837 +2877,Ag,FindHistory,40.0,B,0.09873738348911837 +2913,Ag,FindHistory,40.0,B,0.09873738348911837 +2944,Ag,FindHistory,40.0,B,0.09873738348911837 +2975,Ag,FindHistory,40.0,B,0.09873738348911837 +3006,Ag,FindHistory,40.0,B,0.09873738348911837 +3037,Ag,FindHistory,40.0,B,0.09873738348911837 +3068,Ag,FindHistory,40.0,B,0.09873738348911837 +3099,Ag,FindHistory,40.0,B,0.09873738348911837 +3130,Ag,FindHistory,40.0,B,0.09873738348911837 +3170,Ag,FindHistory,40.0,B,0.09873738348911837 +6369,Au,FindHistory,40.0,B,0.11884166405671127 +6520,Cd,bcc,40.0,B,0.4641145418840476 +6741,Cd,fcc,40.0,B,0.10089199454433867 +7203,Cr,FindHistory,40.0,B,0.0053930526598439344 +7311,Fe,FindHistory,40.0,B,0.002763316321913904 +7585,Ir,FindHistory,40.0,B,0.0017930016995332046 +7703,Mo,FindHistory,40.0,B,0.009072051013543659 +7787,Nb,FindHistory,40.0,B,0.04074347985574569 +7911,Ni,FindHistory,40.0,B,0.1231510290890524 +8124,Os,hcp,40.0,B,0.03140602434468388 +8336,Pd,FindHistory,40.0,B,0.04612530623746991 +8481,Re,hcp,40.0,B,0.005984312657316436 +8710,Rh,FindHistory,40.0,B,0.011441340703909895 +8850,Sc,hcp,40.0,B,0.0908609152024289 +8984,Ta,FindHistory,40.0,B,0.003679669364275424 +9216,Tc,hcp,40.0,B,0.005097446122306449 +9515,Ti,hcp,40.0,B,0.06499959662713968 +9715,V,FindHistory,40.0,B,0.014903756525946225 +9910,Y,hcp,40.0,B,0.019554626282318556 +9933,Y,hcp,40.0,B,0.019554626282318556 +2139,Ag,FindHistory,42.0,B,0.10911739749305596 +2165,Ag,FindHistory,42.0,B,0.10911739749305596 +2201,Ag,FindHistory,42.0,B,0.10911739749305596 +2232,Ag,FindHistory,42.0,B,0.10911739749305596 +2263,Ag,FindHistory,42.0,B,0.10911739749305596 +2294,Ag,FindHistory,42.0,B,0.10911739749305596 +2325,Ag,FindHistory,42.0,B,0.10911739749305596 +2356,Ag,FindHistory,42.0,B,0.10911739749305596 +2387,Ag,FindHistory,42.0,B,0.10911739749305596 +2418,Ag,FindHistory,42.0,B,0.10911739749305596 +2458,Ag,FindHistory,42.0,B,0.10911739749305596 +2480,Ag,FindHistory,42.0,B,0.10911739749305596 +2506,Ag,FindHistory,42.0,B,0.10911739749305596 +2542,Ag,FindHistory,42.0,B,0.10911739749305596 +2573,Ag,FindHistory,42.0,B,0.10911739749305596 +2604,Ag,FindHistory,42.0,B,0.10911739749305596 +2635,Ag,FindHistory,42.0,B,0.10911739749305596 +2666,Ag,FindHistory,42.0,B,0.10911739749305596 +2697,Ag,FindHistory,42.0,B,0.10911739749305596 +2728,Ag,FindHistory,42.0,B,0.10911739749305596 +2759,Ag,FindHistory,42.0,B,0.10911739749305596 +2790,Ag,FindHistory,42.0,B,0.10911739749305596 +2830,Ag,FindHistory,42.0,B,0.10911739749305596 +2852,Ag,FindHistory,42.0,B,0.10911739749305596 +2878,Ag,FindHistory,42.0,B,0.10911739749305596 +2914,Ag,FindHistory,42.0,B,0.10911739749305596 +2945,Ag,FindHistory,42.0,B,0.10911739749305596 +2976,Ag,FindHistory,42.0,B,0.10911739749305596 +3007,Ag,FindHistory,42.0,B,0.10911739749305596 +3038,Ag,FindHistory,42.0,B,0.10911739749305596 +3069,Ag,FindHistory,42.0,B,0.10911739749305596 +3100,Ag,FindHistory,42.0,B,0.10911739749305596 +3131,Ag,FindHistory,42.0,B,0.10911739749305596 +3171,Ag,FindHistory,42.0,B,0.10911739749305596 +6364,Au,FindHistory,42.0,B,0.15703767345162442 +6501,Cd,bcc,42.0,B,1.0782775581024855 +6795,Cd,fcc,42.0,B,0.002745337066043967 +7327,Fe,FindHistory,42.0,B,0.05749271119989492 +7565,Ir,FindHistory,42.0,B,0.01139866627389504 +7790,Nb,FindHistory,42.0,B,0.031820920698041016 +7921,Ni,FindHistory,42.0,B,0.05132588371714146 +8117,Os,hcp,42.0,B,0.03364892587088879 +8342,Pd,FindHistory,42.0,B,0.01840210723399192 +8706,Rh,FindHistory,42.0,B,0.030555494847101943 +8846,Sc,hcp,42.0,B,0.11367784529588496 +9220,Tc,hcp,42.0,B,0.014196355663502162 +9494,Ti,hcp,42.0,B,0.002492064672524145 +9536,Ti,hcp,42.0,B,0.002492064672524145 +9731,V,FindHistory,42.0,B,0.0017990365168108376 +9909,Y,hcp,42.0,B,0.024387909497864527 +9927,Y,hcp,42.0,B,0.024387909497864527 +10094,Zn,hcp,42.0,B,0.028132406300503864 +10105,Zn,hcp,42.0,B,0.028132406300503864 +2140,Ag,FindHistory,44.0,B,0.08586078227634601 +2166,Ag,FindHistory,44.0,B,0.08586078227634601 +2202,Ag,FindHistory,44.0,B,0.08586078227634601 +2233,Ag,FindHistory,44.0,B,0.08586078227634601 +2264,Ag,FindHistory,44.0,B,0.08586078227634601 +2295,Ag,FindHistory,44.0,B,0.08586078227634601 +2326,Ag,FindHistory,44.0,B,0.08586078227634601 +2357,Ag,FindHistory,44.0,B,0.08586078227634601 +2388,Ag,FindHistory,44.0,B,0.08586078227634601 +2419,Ag,FindHistory,44.0,B,0.08586078227634601 +2459,Ag,FindHistory,44.0,B,0.08586078227634601 +2481,Ag,FindHistory,44.0,B,0.08586078227634601 +2507,Ag,FindHistory,44.0,B,0.08586078227634601 +2543,Ag,FindHistory,44.0,B,0.08586078227634601 +2574,Ag,FindHistory,44.0,B,0.08586078227634601 +2605,Ag,FindHistory,44.0,B,0.08586078227634601 +2636,Ag,FindHistory,44.0,B,0.08586078227634601 +2667,Ag,FindHistory,44.0,B,0.08586078227634601 +2698,Ag,FindHistory,44.0,B,0.08586078227634601 +2729,Ag,FindHistory,44.0,B,0.08586078227634601 +2760,Ag,FindHistory,44.0,B,0.08586078227634601 +2791,Ag,FindHistory,44.0,B,0.08586078227634601 +2831,Ag,FindHistory,44.0,B,0.08586078227634601 +2853,Ag,FindHistory,44.0,B,0.08586078227634601 +2879,Ag,FindHistory,44.0,B,0.08586078227634601 +2915,Ag,FindHistory,44.0,B,0.08586078227634601 +2946,Ag,FindHistory,44.0,B,0.08586078227634601 +2977,Ag,FindHistory,44.0,B,0.08586078227634601 +3008,Ag,FindHistory,44.0,B,0.08586078227634601 +3039,Ag,FindHistory,44.0,B,0.08586078227634601 +3070,Ag,FindHistory,44.0,B,0.08586078227634601 +3101,Ag,FindHistory,44.0,B,0.08586078227634601 +3132,Ag,FindHistory,44.0,B,0.08586078227634601 +3172,Ag,FindHistory,44.0,B,0.08586078227634601 +6366,Au,FindHistory,44.0,B,0.07994900748120748 +6535,Cd,bcc,44.0,B,1.0929337656892852 +6796,Cd,fcc,44.0,B,0.07074449336494505 +7017,Cd,hcp,44.0,B,0.5833850309387323 +7326,Fe,FindHistory,44.0,B,0.018322661030624708 +7579,Ir,FindHistory,44.0,B,0.011499134880841588 +7792,Nb,FindHistory,44.0,B,0.032217979521320154 +7903,Ni,FindHistory,44.0,B,0.010319058958075328 +8126,Os,hcp,44.0,B,0.03356251567258984 +8353,Pd,FindHistory,44.0,B,0.01974744965255456 +8497,Re,hcp,44.0,B,0.0094525872685578 +8726,Rh,FindHistory,44.0,B,0.0022256928140061524 +8844,Sc,hcp,44.0,B,0.13398165743631313 +9207,Tc,hcp,44.0,B,0.012384656854641204 +9481,Ti,hcp,44.0,B,0.00920976578994002 +9502,Ti,hcp,44.0,B,0.00920976578994002 +9729,V,FindHistory,44.0,B,0.0022446389245667697 +9904,Y,hcp,44.0,B,0.031401821492055025 +9917,Y,hcp,44.0,B,0.031401821492055025 +2141,Ag,FindHistory,46.0,B,0.034961337471400164 +2167,Ag,FindHistory,46.0,B,0.034961337471400164 +2203,Ag,FindHistory,46.0,B,0.034961337471400164 +2234,Ag,FindHistory,46.0,B,0.034961337471400164 +2265,Ag,FindHistory,46.0,B,0.034961337471400164 +2296,Ag,FindHistory,46.0,B,0.034961337471400164 +2327,Ag,FindHistory,46.0,B,0.034961337471400164 +2358,Ag,FindHistory,46.0,B,0.034961337471400164 +2389,Ag,FindHistory,46.0,B,0.034961337471400164 +2420,Ag,FindHistory,46.0,B,0.034961337471400164 +2460,Ag,FindHistory,46.0,B,0.034961337471400164 +2482,Ag,FindHistory,46.0,B,0.034961337471400164 +2508,Ag,FindHistory,46.0,B,0.034961337471400164 +2544,Ag,FindHistory,46.0,B,0.034961337471400164 +2575,Ag,FindHistory,46.0,B,0.034961337471400164 +2606,Ag,FindHistory,46.0,B,0.034961337471400164 +2637,Ag,FindHistory,46.0,B,0.034961337471400164 +2668,Ag,FindHistory,46.0,B,0.034961337471400164 +2699,Ag,FindHistory,46.0,B,0.034961337471400164 +2730,Ag,FindHistory,46.0,B,0.034961337471400164 +2761,Ag,FindHistory,46.0,B,0.034961337471400164 +2792,Ag,FindHistory,46.0,B,0.034961337471400164 +2832,Ag,FindHistory,46.0,B,0.034961337471400164 +2854,Ag,FindHistory,46.0,B,0.034961337471400164 +2880,Ag,FindHistory,46.0,B,0.034961337471400164 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+8714,Rh,FindHistory,46.0,B,0.027813254906796002 +8852,Sc,hcp,46.0,B,0.11963320437243008 +9236,Tc,hcp,46.0,B,0.021936392378010768 +9510,Ti,hcp,46.0,B,0.052919538002486964 +9725,V,FindHistory,46.0,B,0.009275965309714041 +9912,Y,hcp,46.0,B,0.003030605517453004 +9942,Y,hcp,46.0,B,0.003030605517453004 +2142,Ag,FindHistory,48.0,B,0.0155253445970061 +2168,Ag,FindHistory,48.0,B,0.0155253445970061 +2204,Ag,FindHistory,48.0,B,0.0155253445970061 +2235,Ag,FindHistory,48.0,B,0.0155253445970061 +2266,Ag,FindHistory,48.0,B,0.0155253445970061 +2297,Ag,FindHistory,48.0,B,0.0155253445970061 +2328,Ag,FindHistory,48.0,B,0.0155253445970061 +2359,Ag,FindHistory,48.0,B,0.0155253445970061 +2390,Ag,FindHistory,48.0,B,0.0155253445970061 +2421,Ag,FindHistory,48.0,B,0.0155253445970061 +2461,Ag,FindHistory,48.0,B,0.0155253445970061 +2483,Ag,FindHistory,48.0,B,0.0155253445970061 +2509,Ag,FindHistory,48.0,B,0.0155253445970061 +2545,Ag,FindHistory,48.0,B,0.0155253445970061 +2576,Ag,FindHistory,48.0,B,0.0155253445970061 +2607,Ag,FindHistory,48.0,B,0.0155253445970061 +2638,Ag,FindHistory,48.0,B,0.0155253445970061 +2669,Ag,FindHistory,48.0,B,0.0155253445970061 +2700,Ag,FindHistory,48.0,B,0.0155253445970061 +2731,Ag,FindHistory,48.0,B,0.0155253445970061 +2762,Ag,FindHistory,48.0,B,0.0155253445970061 +2793,Ag,FindHistory,48.0,B,0.0155253445970061 +2833,Ag,FindHistory,48.0,B,0.0155253445970061 +2855,Ag,FindHistory,48.0,B,0.0155253445970061 +2881,Ag,FindHistory,48.0,B,0.0155253445970061 +2917,Ag,FindHistory,48.0,B,0.0155253445970061 +2948,Ag,FindHistory,48.0,B,0.0155253445970061 +2979,Ag,FindHistory,48.0,B,0.0155253445970061 +3010,Ag,FindHistory,48.0,B,0.0155253445970061 +3041,Ag,FindHistory,48.0,B,0.0155253445970061 +3072,Ag,FindHistory,48.0,B,0.0155253445970061 +3103,Ag,FindHistory,48.0,B,0.0155253445970061 +3134,Ag,FindHistory,48.0,B,0.0155253445970061 +3174,Ag,FindHistory,48.0,B,0.0155253445970061 +6349,Au,FindHistory,48.0,B,0.0587014788350536 +6509,Cd,bcc,48.0,B,0.6900523826284117 +6766,Cd,fcc,48.0,B,0.028228393645249587 +7208,Cr,FindHistory,48.0,B,0.0009184397476365453 +7335,Fe,FindHistory,48.0,B,0.03830391599410553 +7580,Ir,FindHistory,48.0,B,0.011567745130057693 +7784,Nb,FindHistory,48.0,B,0.012823313187206678 +7904,Ni,FindHistory,48.0,B,0.05301100693042469 +8130,Os,hcp,48.0,B,0.03274328246128997 +8337,Pd,FindHistory,48.0,B,0.01338665557043904 +8480,Re,hcp,48.0,B,0.006137767454276043 +8722,Rh,FindHistory,48.0,B,0.00065528924998933 +8845,Sc,hcp,48.0,B,0.101597318080762 +9247,Tc,hcp,48.0,B,0.003983751040934608 +9482,Ti,hcp,48.0,B,0.009038667989555323 +9507,Ti,hcp,48.0,B,0.009038667989555323 +9726,V,FindHistory,48.0,B,0.011849867661290002 +9907,Y,hcp,48.0,B,0.009135552707186058 +9941,Y,hcp,48.0,B,0.009135552707186058 +2143,Ag,FindHistory,50.0,B,0.0007788959189504817 +2169,Ag,FindHistory,50.0,B,0.0007788959189504817 +2205,Ag,FindHistory,50.0,B,0.0007788959189504817 +2236,Ag,FindHistory,50.0,B,0.0007788959189504817 +2267,Ag,FindHistory,50.0,B,0.0007788959189504817 +2298,Ag,FindHistory,50.0,B,0.0007788959189504817 +2329,Ag,FindHistory,50.0,B,0.0007788959189504817 +2360,Ag,FindHistory,50.0,B,0.0007788959189504817 +2391,Ag,FindHistory,50.0,B,0.0007788959189504817 +2422,Ag,FindHistory,50.0,B,0.0007788959189504817 +2462,Ag,FindHistory,50.0,B,0.0007788959189504817 +2484,Ag,FindHistory,50.0,B,0.0007788959189504817 +2510,Ag,FindHistory,50.0,B,0.0007788959189504817 +2546,Ag,FindHistory,50.0,B,0.0007788959189504817 +2577,Ag,FindHistory,50.0,B,0.0007788959189504817 +2608,Ag,FindHistory,50.0,B,0.0007788959189504817 +2639,Ag,FindHistory,50.0,B,0.0007788959189504817 +2670,Ag,FindHistory,50.0,B,0.0007788959189504817 +2701,Ag,FindHistory,50.0,B,0.0007788959189504817 +2732,Ag,FindHistory,50.0,B,0.0007788959189504817 +2763,Ag,FindHistory,50.0,B,0.0007788959189504817 +2794,Ag,FindHistory,50.0,B,0.0007788959189504817 +2834,Ag,FindHistory,50.0,B,0.0007788959189504817 +2856,Ag,FindHistory,50.0,B,0.0007788959189504817 +2882,Ag,FindHistory,50.0,B,0.0007788959189504817 +2918,Ag,FindHistory,50.0,B,0.0007788959189504817 +2949,Ag,FindHistory,50.0,B,0.0007788959189504817 +2980,Ag,FindHistory,50.0,B,0.0007788959189504817 +3011,Ag,FindHistory,50.0,B,0.0007788959189504817 +3042,Ag,FindHistory,50.0,B,0.0007788959189504817 +3073,Ag,FindHistory,50.0,B,0.0007788959189504817 +3104,Ag,FindHistory,50.0,B,0.0007788959189504817 +3135,Ag,FindHistory,50.0,B,0.0007788959189504817 +3175,Ag,FindHistory,50.0,B,0.0007788959189504817 +6353,Au,FindHistory,50.0,B,0.044910346252400736 +6488,Cd,bcc,50.0,B,0.837199303321407 +6770,Cd,fcc,50.0,B,0.18257436335674307 +7212,Cr,FindHistory,50.0,B,0.003810871848056112 +7331,Fe,FindHistory,50.0,B,0.023197834354104985 +7595,Ir,FindHistory,50.0,B,0.002312143711047809 +7776,Nb,FindHistory,50.0,B,0.011399592595329402 +7913,Ni,FindHistory,50.0,B,0.03632229669193957 +8138,Os,hcp,50.0,B,0.03182934352433495 +8364,Pd,FindHistory,50.0,B,0.0415524341210956 +8489,Re,hcp,50.0,B,0.0007381602676093179 +8720,Rh,FindHistory,50.0,B,0.00436421493997605 +8838,Sc,hcp,50.0,B,0.10209675369105614 +9233,Tc,hcp,50.0,B,0.00028971083022716224 +9484,Ti,hcp,50.0,B,0.008429237291164406 +9517,Ti,hcp,50.0,B,0.008429237291164406 +9713,V,FindHistory,50.0,B,0.0021002958183076684 +2151,Ag,FindHistory,52.0,B,0.00930619030478419 +2170,Ag,FindHistory,52.0,B,0.00930619030478419 +2206,Ag,FindHistory,52.0,B,0.00930619030478419 +2237,Ag,FindHistory,52.0,B,0.00930619030478419 +2268,Ag,FindHistory,52.0,B,0.00930619030478419 +2299,Ag,FindHistory,52.0,B,0.00930619030478419 +2330,Ag,FindHistory,52.0,B,0.00930619030478419 +2361,Ag,FindHistory,52.0,B,0.00930619030478419 +2392,Ag,FindHistory,52.0,B,0.00930619030478419 +2423,Ag,FindHistory,52.0,B,0.00930619030478419 +2463,Ag,FindHistory,52.0,B,0.00930619030478419 +2492,Ag,FindHistory,52.0,B,0.00930619030478419 +2511,Ag,FindHistory,52.0,B,0.00930619030478419 +2547,Ag,FindHistory,52.0,B,0.00930619030478419 +2578,Ag,FindHistory,52.0,B,0.00930619030478419 +2609,Ag,FindHistory,52.0,B,0.00930619030478419 +2640,Ag,FindHistory,52.0,B,0.00930619030478419 +2671,Ag,FindHistory,52.0,B,0.00930619030478419 +2702,Ag,FindHistory,52.0,B,0.00930619030478419 +2733,Ag,FindHistory,52.0,B,0.00930619030478419 +2764,Ag,FindHistory,52.0,B,0.00930619030478419 +2795,Ag,FindHistory,52.0,B,0.00930619030478419 +2835,Ag,FindHistory,52.0,B,0.00930619030478419 +2864,Ag,FindHistory,52.0,B,0.00930619030478419 +2883,Ag,FindHistory,52.0,B,0.00930619030478419 +2919,Ag,FindHistory,52.0,B,0.00930619030478419 +2950,Ag,FindHistory,52.0,B,0.00930619030478419 +2981,Ag,FindHistory,52.0,B,0.00930619030478419 +3012,Ag,FindHistory,52.0,B,0.00930619030478419 +3043,Ag,FindHistory,52.0,B,0.00930619030478419 +3074,Ag,FindHistory,52.0,B,0.00930619030478419 +3105,Ag,FindHistory,52.0,B,0.00930619030478419 +3136,Ag,FindHistory,52.0,B,0.00930619030478419 +3176,Ag,FindHistory,52.0,B,0.00930619030478419 +6372,Au,FindHistory,52.0,B,0.05389781117513055 +6533,Cd,bcc,52.0,B,0.21177148828116607 +6743,Cd,fcc,52.0,B,0.03749060889256016 +7188,Cr,FindHistory,52.0,B,0.005911466125818943 +7332,Fe,FindHistory,52.0,B,0.02113921822599141 +7593,Ir,FindHistory,52.0,B,0.009651760671039743 +7788,Nb,FindHistory,52.0,B,0.007227993314137691 +7908,Ni,FindHistory,52.0,B,0.014617133272490082 +8109,Os,hcp,52.0,B,0.0063341028734670134 +8154,Os,hcp,52.0,B,0.0063341028734670134 +8351,Pd,FindHistory,52.0,B,0.006342516033449415 +8493,Re,hcp,52.0,B,0.010825087924808298 +8707,Rh,FindHistory,52.0,B,0.007110230214401864 +8865,Sc,hcp,52.0,B,0.11625600195559027 +9256,Tc,hcp,52.0,B,0.002868286239688167 +9489,Ti,hcp,52.0,B,0.010759210986887844 +9535,Ti,hcp,52.0,B,0.010759210986887844 +9708,V,FindHistory,52.0,B,0.003463529658151572 +10093,Zn,hcp,52.0,B,0.00949451694654496 +10104,Zn,hcp,52.0,B,0.00949451694654496 +2162,Ag,FindHistory,54.0,B,0.020795122822893444 +2171,Ag,FindHistory,54.0,B,0.020795122822893444 +2207,Ag,FindHistory,54.0,B,0.020795122822893444 +2238,Ag,FindHistory,54.0,B,0.020795122822893444 +2269,Ag,FindHistory,54.0,B,0.020795122822893444 +2300,Ag,FindHistory,54.0,B,0.020795122822893444 +2331,Ag,FindHistory,54.0,B,0.020795122822893444 +2362,Ag,FindHistory,54.0,B,0.020795122822893444 +2393,Ag,FindHistory,54.0,B,0.020795122822893444 +2424,Ag,FindHistory,54.0,B,0.020795122822893444 +2464,Ag,FindHistory,54.0,B,0.020795122822893444 +2503,Ag,FindHistory,54.0,B,0.020795122822893444 +2512,Ag,FindHistory,54.0,B,0.020795122822893444 +2548,Ag,FindHistory,54.0,B,0.020795122822893444 +2579,Ag,FindHistory,54.0,B,0.020795122822893444 +2610,Ag,FindHistory,54.0,B,0.020795122822893444 +2641,Ag,FindHistory,54.0,B,0.020795122822893444 +2672,Ag,FindHistory,54.0,B,0.020795122822893444 +2703,Ag,FindHistory,54.0,B,0.020795122822893444 +2734,Ag,FindHistory,54.0,B,0.020795122822893444 +2765,Ag,FindHistory,54.0,B,0.020795122822893444 +2796,Ag,FindHistory,54.0,B,0.020795122822893444 +2836,Ag,FindHistory,54.0,B,0.020795122822893444 +2875,Ag,FindHistory,54.0,B,0.020795122822893444 +2884,Ag,FindHistory,54.0,B,0.020795122822893444 +2920,Ag,FindHistory,54.0,B,0.020795122822893444 +2951,Ag,FindHistory,54.0,B,0.020795122822893444 +2982,Ag,FindHistory,54.0,B,0.020795122822893444 +3013,Ag,FindHistory,54.0,B,0.020795122822893444 +3044,Ag,FindHistory,54.0,B,0.020795122822893444 +3075,Ag,FindHistory,54.0,B,0.020795122822893444 +3106,Ag,FindHistory,54.0,B,0.020795122822893444 +3137,Ag,FindHistory,54.0,B,0.020795122822893444 +3177,Ag,FindHistory,54.0,B,0.020795122822893444 +6363,Au,FindHistory,54.0,B,0.018067738187155853 +6504,Cd,bcc,54.0,B,0.4874597969255928 +6746,Cd,fcc,54.0,B,0.1479922273628853 +7186,Cr,FindHistory,54.0,B,0.006322452421746348 +7334,Fe,FindHistory,54.0,B,0.010325781003326606 +7577,Ir,FindHistory,54.0,B,0.0059645281912838214 +7802,Nb,FindHistory,54.0,B,0.01810507652572559 +7916,Ni,FindHistory,54.0,B,0.06780966029822093 +8152,Os,hcp,54.0,B,0.03106144047925055 +8341,Pd,FindHistory,54.0,B,0.03192674731480373 +8476,Re,hcp,54.0,B,0.014553909887079962 +8717,Rh,FindHistory,54.0,B,0.01384243751349283 +8841,Sc,hcp,54.0,B,0.032673981133680294 +8870,Sc,hcp,54.0,B,0.032673981133680294 +9213,Tc,hcp,54.0,B,0.006997533288198557 +9490,Ti,hcp,54.0,B,0.01028660974961335 +9532,Ti,hcp,54.0,B,0.01028660974961335 +9709,V,FindHistory,54.0,B,0.011847440567397623 +10099,Zn,hcp,54.0,B,0.0008524614018386862 +10110,Zn,hcp,54.0,B,0.0008524614018386862 +2172,Ag,FindHistory,56.0,B,0.031347520468717464 +2173,Ag,FindHistory,56.0,B,0.031347520468717464 +2208,Ag,FindHistory,56.0,B,0.031347520468717464 +2239,Ag,FindHistory,56.0,B,0.031347520468717464 +2270,Ag,FindHistory,56.0,B,0.031347520468717464 +2301,Ag,FindHistory,56.0,B,0.031347520468717464 +2332,Ag,FindHistory,56.0,B,0.031347520468717464 +2363,Ag,FindHistory,56.0,B,0.031347520468717464 +2394,Ag,FindHistory,56.0,B,0.031347520468717464 +2425,Ag,FindHistory,56.0,B,0.031347520468717464 +2465,Ag,FindHistory,56.0,B,0.031347520468717464 +2513,Ag,FindHistory,56.0,B,0.031347520468717464 +2514,Ag,FindHistory,56.0,B,0.031347520468717464 +2549,Ag,FindHistory,56.0,B,0.031347520468717464 +2580,Ag,FindHistory,56.0,B,0.031347520468717464 +2611,Ag,FindHistory,56.0,B,0.031347520468717464 +2642,Ag,FindHistory,56.0,B,0.031347520468717464 +2673,Ag,FindHistory,56.0,B,0.031347520468717464 +2704,Ag,FindHistory,56.0,B,0.031347520468717464 +2735,Ag,FindHistory,56.0,B,0.031347520468717464 +2766,Ag,FindHistory,56.0,B,0.031347520468717464 +2797,Ag,FindHistory,56.0,B,0.031347520468717464 +2837,Ag,FindHistory,56.0,B,0.031347520468717464 +2885,Ag,FindHistory,56.0,B,0.031347520468717464 +2886,Ag,FindHistory,56.0,B,0.031347520468717464 +2921,Ag,FindHistory,56.0,B,0.031347520468717464 +2952,Ag,FindHistory,56.0,B,0.031347520468717464 +2983,Ag,FindHistory,56.0,B,0.031347520468717464 +3014,Ag,FindHistory,56.0,B,0.031347520468717464 +3045,Ag,FindHistory,56.0,B,0.031347520468717464 +3076,Ag,FindHistory,56.0,B,0.031347520468717464 +3107,Ag,FindHistory,56.0,B,0.031347520468717464 +3138,Ag,FindHistory,56.0,B,0.031347520468717464 +3178,Ag,FindHistory,56.0,B,0.031347520468717464 +6377,Au,FindHistory,56.0,B,0.009344473647979513 +6518,Cd,bcc,56.0,B,0.5189353078698388 +6761,Cd,fcc,56.0,B,0.2334496491642233 +7209,Cr,FindHistory,56.0,B,0.0010860268800758747 +7316,Fe,FindHistory,56.0,B,0.03506575387653809 +7591,Ir,FindHistory,56.0,B,0.01099975112937134 +7781,Nb,FindHistory,56.0,B,0.005841059352994902 +7899,Ni,FindHistory,56.0,B,0.04639117938378719 +8114,Os,hcp,56.0,B,0.0053118241295792255 +8156,Os,hcp,56.0,B,0.0053118241295792255 +8354,Pd,FindHistory,56.0,B,0.01833980103020421 +8507,Re,hcp,56.0,B,0.003209124013368831 +8701,Rh,FindHistory,56.0,B,0.00438943931648721 +8866,Sc,hcp,56.0,B,0.10166932967302347 +9229,Tc,hcp,56.0,B,0.0026413223220405845 +9487,Ti,hcp,56.0,B,0.01128692973460347 +9528,Ti,hcp,56.0,B,0.01128692973460347 +9728,V,FindHistory,56.0,B,0.0005873020874828463 +10100,Zn,hcp,56.0,B,0.05152771182549479 +10111,Zn,hcp,56.0,B,0.05152771182549479 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+7594,Ir,FindHistory,58.0,B,0.007722386802890128 +7785,Nb,FindHistory,58.0,B,0.012943902004583771 +7920,Ni,FindHistory,58.0,B,0.006998961541327069 +8345,Pd,FindHistory,58.0,B,0.008821161128119117 +8464,Re,hcp,58.0,B,0.0002615144116122114 +8711,Rh,FindHistory,58.0,B,0.006282843971215208 +8839,Sc,hcp,58.0,B,0.11151471556777312 +9212,Tc,hcp,58.0,B,0.009114652027476857 +9736,V,FindHistory,58.0,B,0.01984309832512093 +10092,Zn,hcp,58.0,B,0.009121862104862391 +10103,Zn,hcp,58.0,B,0.009121862104862391 +2175,Ag,FindHistory,60.0,B,0.008301635667301637 +2179,Ag,FindHistory,60.0,B,0.008301635667301637 +2210,Ag,FindHistory,60.0,B,0.008301635667301637 +2241,Ag,FindHistory,60.0,B,0.008301635667301637 +2272,Ag,FindHistory,60.0,B,0.008301635667301637 +2303,Ag,FindHistory,60.0,B,0.008301635667301637 +2334,Ag,FindHistory,60.0,B,0.008301635667301637 +2365,Ag,FindHistory,60.0,B,0.008301635667301637 +2396,Ag,FindHistory,60.0,B,0.008301635667301637 +2427,Ag,FindHistory,60.0,B,0.008301635667301637 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+9531,Ti,hcp,60.0,B,0.006000874673117889 +9738,V,FindHistory,60.0,B,0.00764097461161918 +2176,Ag,FindHistory,62.0,B,0.0004944267674581997 +2180,Ag,FindHistory,62.0,B,0.0004944267674581997 +2211,Ag,FindHistory,62.0,B,0.0004944267674581997 +2242,Ag,FindHistory,62.0,B,0.0004944267674581997 +2273,Ag,FindHistory,62.0,B,0.0004944267674581997 +2304,Ag,FindHistory,62.0,B,0.0004944267674581997 +2335,Ag,FindHistory,62.0,B,0.0004944267674581997 +2366,Ag,FindHistory,62.0,B,0.0004944267674581997 +2397,Ag,FindHistory,62.0,B,0.0004944267674581997 +2428,Ag,FindHistory,62.0,B,0.0004944267674581997 +2469,Ag,FindHistory,62.0,B,0.0004944267674581997 +2517,Ag,FindHistory,62.0,B,0.0004944267674581997 +2521,Ag,FindHistory,62.0,B,0.0004944267674581997 +2552,Ag,FindHistory,62.0,B,0.0004944267674581997 +2583,Ag,FindHistory,62.0,B,0.0004944267674581997 +2614,Ag,FindHistory,62.0,B,0.0004944267674581997 +2645,Ag,FindHistory,62.0,B,0.0004944267674581997 +2676,Ag,FindHistory,62.0,B,0.0004944267674581997 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+3080,Ag,FindHistory,64.0,B,0.04021246532463612 +3111,Ag,FindHistory,64.0,B,0.04021246532463612 +3142,Ag,FindHistory,64.0,B,0.04021246532463612 +3183,Ag,FindHistory,64.0,B,0.04021246532463612 +6355,Au,FindHistory,64.0,B,0.012644182887330598 +6764,Cd,fcc,64.0,B,0.05996276083342349 +7202,Cr,FindHistory,64.0,B,0.0036828148873934725 +7573,Ir,FindHistory,64.0,B,0.004307989588555068 +7777,Nb,FindHistory,64.0,B,0.0028923195439428213 +7915,Ni,FindHistory,64.0,B,0.006113926049257261 +8339,Pd,FindHistory,64.0,B,0.019911884877431056 +8470,Re,hcp,64.0,B,0.004230111481311167 +8699,Rh,FindHistory,64.0,B,0.0033569630924294635 +8842,Sc,hcp,64.0,B,0.02054751871192106 +8871,Sc,hcp,64.0,B,0.02054751871192106 +9241,Tc,hcp,64.0,B,0.002251904497268465 +9739,V,FindHistory,64.0,B,0.002263215952692861 +9840,Y,bcc,64.0,B,0.06618743125795121 +9843,Y,bcc,64.0,B,0.06618743125795121 +6350,Au,FindHistory,66.0,B,0.006157075152005804 +6490,Cd,bcc,66.0,B,0.2196807992538098 +6763,Cd,fcc,66.0,B,0.04267121906923939 +7207,Cr,FindHistory,66.0,B,0.004525675538478672 +7563,Ir,FindHistory,66.0,B,0.0008043749256799697 +7929,Ni,FindHistory,66.0,B,0.0068043612172918 +8099,Os,hcp,66.0,B,0.005034136822596214 +8115,Os,hcp,66.0,B,0.005034136822596214 +8357,Pd,FindHistory,66.0,B,0.0009718843852209623 +8729,Rh,FindHistory,66.0,B,0.00807595784406072 +9210,Tc,hcp,66.0,B,0.011917222361571351 +9720,V,FindHistory,66.0,B,0.0035553102456136704 +6352,Au,FindHistory,68.0,B,0.01378046091890763 +6498,Cd,bcc,68.0,B,0.2237926935344264 +6771,Cd,fcc,68.0,B,0.020962789878900986 +7197,Cr,FindHistory,68.0,B,0.0017958538055028485 +7429,Hg,bcc,68.0,B,0.14168023158422918 +7435,Hg,bcc,68.0,B,0.14168023158422918 +7576,Ir,FindHistory,68.0,B,0.0022283889643263033 +7927,Ni,FindHistory,68.0,B,0.011234632079262214 +8344,Pd,FindHistory,68.0,B,0.006249289155279968 +8503,Re,hcp,68.0,B,0.005855367155365393 +8725,Rh,FindHistory,68.0,B,0.0007094943474187851 +8830,Sc,bcc,68.0,B,2.3477992377934314 +8831,Sc,bcc,68.0,B,2.3477992377934314 +9257,Tc,hcp,68.0,B,0.003957466058374167 +9711,V,FindHistory,68.0,B,0.00029787365509350536 +9842,Y,bcc,68.0,B,0.04715660219265829 +9845,Y,bcc,68.0,B,0.04715660219265829 +6360,Au,FindHistory,70.0,B,0.01823123199198149 +6785,Cd,fcc,70.0,B,0.028411846708553495 +7205,Cr,FindHistory,70.0,B,0.0028839360082879724 +7571,Ir,FindHistory,70.0,B,0.0016384198289301015 +7902,Ni,FindHistory,70.0,B,0.006638943560160714 +8037,Os,bcc,70.0,B,0.018456559027779467 +8044,Os,bcc,70.0,B,0.018456559027779467 +8343,Pd,FindHistory,70.0,B,0.006316373515854115 +8723,Rh,FindHistory,70.0,B,0.0019549618210670965 +9254,Tc,hcp,70.0,B,0.0024130145020513807 +9735,V,FindHistory,70.0,B,0.001394607120021716 +3198,Ag,FindHistory,4.0,E0,-2.886338502388468 +3236,Ag,FindHistory,4.0,E0,-2.886338502388468 +3267,Ag,FindHistory,4.0,E0,-2.886338502388468 +3298,Ag,FindHistory,4.0,E0,-2.886338502388468 +3329,Ag,FindHistory,4.0,E0,-2.886338502388468 +3360,Ag,FindHistory,4.0,E0,-2.886338502388468 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+3704,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3735,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3766,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3797,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3828,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3859,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3867,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3915,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3952,Ag,FindHistory,10.0,E0,-0.03127148726035492 +3983,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4014,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4045,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4076,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4107,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4138,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4169,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4200,Ag,FindHistory,10.0,E0,-0.03127148726035492 +4208,Ag,FindHistory,10.0,E0,-0.03127148726035492 +6407,Au,FindHistory,10.0,E0,-0.04573964267879023 +6559,Cd,bcc,10.0,E0,-0.7901505622473324 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+3676,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3707,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3738,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3769,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3800,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3831,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3862,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3870,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3918,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3955,Ag,FindHistory,16.0,E0,-0.0212077075835464 +3986,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4017,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4048,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4079,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4110,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4141,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4172,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4203,Ag,FindHistory,16.0,E0,-0.0212077075835464 +4211,Ag,FindHistory,16.0,E0,-0.0212077075835464 +6385,Au,FindHistory,16.0,E0,-0.010939876998073509 +6598,Cd,bcc,16.0,E0,-0.09843584960683123 +6830,Cd,fcc,16.0,E0,-0.1093955286205149 +7061,Cd,hcp,16.0,E0,-0.07635068998045946 +7227,Cr,FindHistory,16.0,E0,-0.003978198783983027 +7358,Fe,FindHistory,16.0,E0,-0.0022143180472689377 +7617,Ir,FindHistory,16.0,E0,-0.035412940344712665 +7724,Mo,FindHistory,16.0,E0,-0.001788627512029969 +7812,Nb,FindHistory,16.0,E0,-0.010376205873267172 +7950,Ni,FindHistory,16.0,E0,-0.015055588369933669 +8170,Os,hcp,16.0,E0,-0.005164768670543493 +8381,Pd,FindHistory,16.0,E0,-0.006256832643718841 +8569,Re,hcp,16.0,E0,-0.002243237399143133 +8733,Rh,FindHistory,16.0,E0,-0.00829633091043363 +8896,Sc,hcp,16.0,E0,-0.00010340118174835814 +8998,Ta,FindHistory,16.0,E0,-0.0019034702210277933 +9270,Tc,hcp,16.0,E0,-0.007062423115178289 +9579,Ti,hcp,16.0,E0,-0.0024194161685978147 +9760,V,FindHistory,16.0,E0,-0.001610269502563962 +9952,Y,hcp,16.0,E0,-0.00027880408525164527 +3206,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3243,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3274,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3305,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3336,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3367,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3398,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3429,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3460,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3493,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3499,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3547,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3584,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3615,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3646,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3677,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3708,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3739,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3770,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3801,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3832,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3865,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3871,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3919,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3956,Ag,FindHistory,18.0,E0,-0.013191823082985443 +3987,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4018,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4049,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4080,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4111,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4142,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4173,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4206,Ag,FindHistory,18.0,E0,-0.013191823082985443 +4212,Ag,FindHistory,18.0,E0,-0.013191823082985443 +6404,Au,FindHistory,18.0,E0,-0.01145786350506982 +6587,Cd,bcc,18.0,E0,-0.2226997896460572 +6838,Cd,fcc,18.0,E0,-0.009831964480474568 +7053,Cd,hcp,18.0,E0,-0.09970257894553723 +7235,Cr,FindHistory,18.0,E0,-0.005941660242968936 +7354,Fe,FindHistory,18.0,E0,-0.0025937377951369307 +7602,Ir,FindHistory,18.0,E0,-0.00212436778577039 +7733,Mo,FindHistory,18.0,E0,-0.0068398130095043905 +7829,Nb,FindHistory,18.0,E0,-0.00498201697688995 +7964,Ni,FindHistory,18.0,E0,-0.00809772712042222 +8209,Os,hcp,18.0,E0,-0.0046585473373554785 +8382,Pd,FindHistory,18.0,E0,-0.01822850194919246 +8561,Re,hcp,18.0,E0,-0.0035222514684368233 +8757,Rh,FindHistory,18.0,E0,-0.01963223334697269 +8902,Sc,hcp,18.0,E0,-0.0005192906971047303 +8997,Ta,FindHistory,18.0,E0,-0.0003590947891998709 +9328,Tc,hcp,18.0,E0,-0.0014903012811719946 +9550,Ti,hcp,18.0,E0,-0.0008699208298304227 +9766,V,FindHistory,18.0,E0,-0.004050063758954896 +9967,Y,hcp,18.0,E0,-4.489259824522233e-05 +3207,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3244,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3275,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3306,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3337,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3368,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3399,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3430,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3461,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3500,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3504,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3548,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3585,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3616,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3647,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3678,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3709,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3740,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3771,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3802,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3833,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3872,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3876,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3920,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3957,Ag,FindHistory,20.0,E0,-0.013578239922683649 +3988,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4019,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4050,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4081,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4112,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4143,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4174,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4213,Ag,FindHistory,20.0,E0,-0.013578239922683649 +4217,Ag,FindHistory,20.0,E0,-0.013578239922683649 +6382,Au,FindHistory,20.0,E0,-0.011304495280270443 +6573,Cd,bcc,20.0,E0,-0.10352799447931654 +6810,Cd,fcc,20.0,E0,-0.09004673459589885 +7037,Cd,hcp,20.0,E0,-0.02413676634299422 +7080,Cd,hcp,20.0,E0,-0.02413676634299422 +7220,Cr,FindHistory,20.0,E0,-0.00345474090502932 +7356,Fe,FindHistory,20.0,E0,-0.0023431444622730173 +7524,Hg,hcp,20.0,E0,-0.0012404092220237306 +7531,Hg,hcp,20.0,E0,-0.0012404092220237306 +7609,Ir,FindHistory,20.0,E0,-0.015488211558825874 +7734,Mo,FindHistory,20.0,E0,-0.002719339656366282 +7825,Nb,FindHistory,20.0,E0,-0.0002569778899191961 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+3462,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3501,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3515,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3549,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3586,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3617,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3648,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3679,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3710,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3741,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3772,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3803,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3834,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3873,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3887,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3921,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3958,Ag,FindHistory,22.0,E0,-0.009790854439568395 +3989,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4020,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4051,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4082,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4113,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4144,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4175,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4214,Ag,FindHistory,22.0,E0,-0.009790854439568395 +4228,Ag,FindHistory,22.0,E0,-0.009790854439568395 +6413,Au,FindHistory,22.0,E0,-0.009385846056362512 +6556,Cd,bcc,22.0,E0,-0.0215119847208023 +6815,Cd,fcc,22.0,E0,-0.024797791554519756 +7075,Cd,hcp,22.0,E0,-0.010234871055615932 +7241,Cr,FindHistory,22.0,E0,-0.0010419518859092918 +7353,Fe,FindHistory,22.0,E0,-0.0005087527889571073 +7521,Hg,hcp,22.0,E0,-0.0007194983911308772 +7528,Hg,hcp,22.0,E0,-0.0007194983911308772 +7618,Ir,FindHistory,22.0,E0,-0.013438716650034823 +7728,Mo,FindHistory,22.0,E0,-0.0017230424434508144 +7835,Nb,FindHistory,22.0,E0,-0.0013199499147837266 +7941,Ni,FindHistory,22.0,E0,-0.0014847783771350606 +8175,Os,hcp,22.0,E0,-0.0025799519038034943 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+3550,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3587,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3618,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3649,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3680,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3711,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3742,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3773,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3804,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3835,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3874,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3897,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3922,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3959,Ag,FindHistory,24.0,E0,-0.007594776997651381 +3990,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4021,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4052,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4083,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4114,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4145,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4176,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4215,Ag,FindHistory,24.0,E0,-0.007594776997651381 +4238,Ag,FindHistory,24.0,E0,-0.007594776997651381 +6390,Au,FindHistory,24.0,E0,-0.005582413449026014 +6588,Cd,bcc,24.0,E0,-0.06847777569044415 +6848,Cd,fcc,24.0,E0,-0.028042496070196682 +7072,Cd,hcp,24.0,E0,-0.008886283224002393 +7226,Cr,FindHistory,24.0,E0,-0.002090923305350848 +7340,Fe,FindHistory,24.0,E0,-0.0006005534110934684 +7523,Hg,hcp,24.0,E0,-0.0010565319023922628 +7530,Hg,hcp,24.0,E0,-0.0010565319023922628 +7598,Ir,FindHistory,24.0,E0,-0.005270867914405597 +7717,Mo,FindHistory,24.0,E0,-0.003919839942114551 +7832,Nb,FindHistory,24.0,E0,-0.0006667908706517338 +7944,Ni,FindHistory,24.0,E0,-0.0017508458685524587 +8178,Os,hcp,24.0,E0,-0.0068435936493616905 +8371,Pd,FindHistory,24.0,E0,-0.0012056034215284172 +8533,Re,hcp,24.0,E0,-0.0006198449281997302 +8760,Rh,FindHistory,24.0,E0,-0.005482985492788931 +8878,Sc,hcp,24.0,E0,-0.0003226537871849932 +9014,Ta,FindHistory,24.0,E0,-0.000461181766772201 +9276,Tc,hcp,24.0,E0,-0.0009940392292245297 +9573,Ti,hcp,24.0,E0,-0.00014798822262699563 +9749,V,FindHistory,24.0,E0,-0.00020903916291724917 +9965,Y,hcp,24.0,E0,-0.00031786300681544327 +10120,Zn,hcp,24.0,E0,-0.03259057655009996 +10131,Zn,hcp,24.0,E0,-0.03259057655009996 +3210,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3247,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3278,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3309,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3340,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3371,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3402,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3433,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3464,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3503,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3526,Ag,FindHistory,26.0,E0,-0.004843868855452588 +3551,Ag,FindHistory,26.0,E0,-0.004843868855452588 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+3187,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3213,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3249,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3280,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3311,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3342,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3373,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3404,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3435,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3466,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3506,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3528,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3554,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3590,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3621,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3652,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3683,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3714,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3745,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3776,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3807,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3838,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3878,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3900,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3926,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3962,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +3993,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +4024,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +4055,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +4086,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +4117,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +4148,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +4179,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +4219,Ag,FindHistory,30.0,E0,-8.961331587305216e-05 +6415,Au,FindHistory,30.0,E0,-0.0029245225499933475 +6546,Cd,bcc,30.0,E0,-0.03979965916731059 +6824,Cd,fcc,30.0,E0,-0.020001282666275016 +7040,Cd,hcp,30.0,E0,-0.0018476322249011887 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+3281,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3312,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3343,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3374,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3405,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3436,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3467,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3507,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3529,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3555,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3591,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3622,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3653,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3684,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3715,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3746,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3777,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3808,Ag,FindHistory,32.0,E0,-0.0003731926979325601 +3839,Ag,FindHistory,32.0,E0,-0.0003731926979325601 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+8999,Ta,FindHistory,36.0,E0,-0.0002091611932494107 +9280,Tc,hcp,36.0,E0,-0.00032261772879891545 +9565,Ti,hcp,36.0,E0,-0.0003427177740432142 +9767,V,FindHistory,36.0,E0,-8.666268608038255e-05 +9960,Y,hcp,36.0,E0,-2.095846627950177e-05 +3191,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3217,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3253,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3284,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3315,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3346,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3377,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3408,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3439,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3470,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3510,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3532,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3558,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3594,Ag,FindHistory,38.0,E0,-0.001828634797269175 +3625,Ag,FindHistory,38.0,E0,-0.001828634797269175 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+9979,Y,hcp,38.0,E0,-1.179258131011732e-05 +3192,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3218,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3254,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3285,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3316,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3347,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3378,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3409,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3440,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3471,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3511,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3533,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3559,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3595,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3626,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3657,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3688,Ag,FindHistory,40.0,E0,-0.0015721226073756801 +3719,Ag,FindHistory,40.0,E0,-0.0015721226073756801 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+3442,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3473,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3513,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3535,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3561,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3597,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3628,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3659,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3690,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3721,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3752,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3783,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3814,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3845,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3885,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3907,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3933,Ag,FindHistory,44.0,E0,-0.000790232915785124 +3969,Ag,FindHistory,44.0,E0,-0.000790232915785124 +4000,Ag,FindHistory,44.0,E0,-0.000790232915785124 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+9272,Tc,hcp,44.0,E0,-8.971061151529135e-05 +9538,Ti,hcp,44.0,E0,-7.955833100418905e-05 +9559,Ti,hcp,44.0,E0,-7.955833100418905e-05 +9762,V,FindHistory,44.0,E0,-2.4492997599157628e-05 +9943,Y,hcp,44.0,E0,-4.05947940551642e-05 +9956,Y,hcp,44.0,E0,-4.05947940551642e-05 +3195,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3221,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3257,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3288,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3319,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3350,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3381,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3412,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3443,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3474,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3514,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3536,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3562,Ag,FindHistory,46.0,E0,-0.0004783248673494279 +3598,Ag,FindHistory,46.0,E0,-0.0004783248673494279 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+5814,Ag,FindHistory,14.0,v0,0.017454055557153708 +5845,Ag,FindHistory,14.0,v0,0.017454055557153708 +5876,Ag,FindHistory,14.0,v0,0.017454055557153708 +5907,Ag,FindHistory,14.0,v0,0.017454055557153708 +5938,Ag,FindHistory,14.0,v0,0.017454055557153708 +5969,Ag,FindHistory,14.0,v0,0.017454055557153708 +5977,Ag,FindHistory,14.0,v0,0.017454055557153708 +6025,Ag,FindHistory,14.0,v0,0.017454055557153708 +6062,Ag,FindHistory,14.0,v0,0.017454055557153708 +6093,Ag,FindHistory,14.0,v0,0.017454055557153708 +6124,Ag,FindHistory,14.0,v0,0.017454055557153708 +6155,Ag,FindHistory,14.0,v0,0.017454055557153708 +6186,Ag,FindHistory,14.0,v0,0.017454055557153708 +6217,Ag,FindHistory,14.0,v0,0.017454055557153708 +6248,Ag,FindHistory,14.0,v0,0.017454055557153708 +6279,Ag,FindHistory,14.0,v0,0.017454055557153708 +6310,Ag,FindHistory,14.0,v0,0.017454055557153708 +6318,Ag,FindHistory,14.0,v0,0.017454055557153708 +6473,Au,FindHistory,14.0,v0,0.018926881081634782 +6681,Cd,bcc,14.0,v0,0.06683163490119595 +6927,Cd,fcc,14.0,v0,0.0683038635224148 +7167,Cd,hcp,14.0,v0,0.6185623575311467 +7299,Cr,FindHistory,14.0,v0,0.02121939440364311 +7410,Fe,FindHistory,14.0,v0,0.024057890659807683 +7668,Ir,FindHistory,14.0,v0,0.006939205813694075 +7767,Mo,FindHistory,14.0,v0,0.04566823669567634 +7890,Nb,FindHistory,14.0,v0,0.026554666754898374 +8026,Ni,FindHistory,14.0,v0,0.01708711900189436 +8300,Os,hcp,14.0,v0,0.03735417405844471 +8440,Pd,FindHistory,14.0,v0,0.001485054084317801 +8668,Re,hcp,14.0,v0,0.008427203465619482 +8817,Rh,FindHistory,14.0,v0,0.041148996262161286 +8954,Sc,hcp,14.0,v0,0.008724483164281305 +9051,Ta,FindHistory,14.0,v0,0.02484747382382157 +9462,Tc,hcp,14.0,v0,0.01494530529874101 +9668,Ti,hcp,14.0,v0,0.010658618479161835 +9822,V,FindHistory,14.0,v0,0.02063046685708788 +10037,Y,hcp,14.0,v0,0.0024486456677767702 +5313,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5350,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5381,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5412,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5443,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5474,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5505,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5536,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5567,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5598,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5606,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5654,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5691,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5722,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5753,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5784,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5815,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5846,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5877,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5908,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5939,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5970,Ag,FindHistory,16.0,v0,0.00046932072642163586 +5978,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6026,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6063,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6094,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6125,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6156,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6187,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6218,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6249,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6280,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6311,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6319,Ag,FindHistory,16.0,v0,0.00046932072642163586 +6453,Au,FindHistory,16.0,v0,0.0010617245182420443 +6726,Cd,bcc,16.0,v0,0.08359324048853492 +6954,Cd,fcc,16.0,v0,0.2871782534811619 +7159,Cd,hcp,16.0,v0,0.6402064558850237 +7289,Cr,FindHistory,16.0,v0,0.0005273760151162597 +7418,Fe,FindHistory,16.0,v0,0.07327987023480867 +7685,Ir,FindHistory,16.0,v0,0.019668380551994432 +7762,Mo,FindHistory,16.0,v0,0.004651523328039358 +7873,Nb,FindHistory,16.0,v0,0.03459655559235721 +8019,Ni,FindHistory,16.0,v0,0.003729731279878815 +8288,Os,hcp,16.0,v0,0.027301811855890284 +8442,Pd,FindHistory,16.0,v0,0.02519217066695596 +8689,Re,hcp,16.0,v0,0.0020562452507638185 +8799,Rh,FindHistory,16.0,v0,0.012453952565724742 +8966,Sc,hcp,16.0,v0,0.0007572182878053205 +9036,Ta,FindHistory,16.0,v0,0.014463007426955169 +9400,Tc,hcp,16.0,v0,0.02248081987345505 +9693,Ti,hcp,16.0,v0,0.009148112270393713 +9826,V,FindHistory,16.0,v0,0.0033639666076188466 +10030,Y,hcp,16.0,v0,0.0012186314459675693 +5314,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5351,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5382,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5413,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5444,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5475,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5506,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5537,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5568,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5604,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5607,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5655,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5692,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5723,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5754,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5785,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5816,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5847,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5878,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5909,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5940,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5976,Ag,FindHistory,18.0,v0,0.0015933648301772385 +5979,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6027,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6064,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6095,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6126,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6157,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6188,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6219,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6250,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6281,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6317,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6320,Ag,FindHistory,18.0,v0,0.0015933648301772385 +6472,Au,FindHistory,18.0,v0,0.003765594291064254 +6715,Cd,bcc,18.0,v0,0.14110979713052052 +6962,Cd,fcc,18.0,v0,0.18285826863563992 +7151,Cd,hcp,18.0,v0,0.20893503017839174 +7297,Cr,FindHistory,18.0,v0,0.00989282759068452 +7414,Fe,FindHistory,18.0,v0,0.028967067557675683 +7670,Ir,FindHistory,18.0,v0,0.0027957208079825943 +7771,Mo,FindHistory,18.0,v0,0.004331348140337685 +7891,Nb,FindHistory,18.0,v0,0.004800100009568442 +8032,Ni,FindHistory,18.0,v0,0.01850809872370771 +8327,Os,hcp,18.0,v0,0.030088221838327444 +8443,Pd,FindHistory,18.0,v0,0.0135344955824176 +8681,Re,hcp,18.0,v0,0.0019554415576401103 +8823,Rh,FindHistory,18.0,v0,0.0022511238567395433 +8972,Sc,hcp,18.0,v0,0.002584551050963977 +9035,Ta,FindHistory,18.0,v0,0.008686795906951948 +9458,Tc,hcp,18.0,v0,0.007992418848015409 +9664,Ti,hcp,18.0,v0,0.004948141840739592 +9832,V,FindHistory,18.0,v0,0.008945524347700507 +10045,Y,hcp,18.0,v0,0.0004843606281820403 +5315,Ag,FindHistory,20.0,v0,0.006086003859471778 +5352,Ag,FindHistory,20.0,v0,0.006086003859471778 +5383,Ag,FindHistory,20.0,v0,0.006086003859471778 +5414,Ag,FindHistory,20.0,v0,0.006086003859471778 +5445,Ag,FindHistory,20.0,v0,0.006086003859471778 +5476,Ag,FindHistory,20.0,v0,0.006086003859471778 +5507,Ag,FindHistory,20.0,v0,0.006086003859471778 +5538,Ag,FindHistory,20.0,v0,0.006086003859471778 +5569,Ag,FindHistory,20.0,v0,0.006086003859471778 +5608,Ag,FindHistory,20.0,v0,0.006086003859471778 +5615,Ag,FindHistory,20.0,v0,0.006086003859471778 +5656,Ag,FindHistory,20.0,v0,0.006086003859471778 +5693,Ag,FindHistory,20.0,v0,0.006086003859471778 +5724,Ag,FindHistory,20.0,v0,0.006086003859471778 +5755,Ag,FindHistory,20.0,v0,0.006086003859471778 +5786,Ag,FindHistory,20.0,v0,0.006086003859471778 +5817,Ag,FindHistory,20.0,v0,0.006086003859471778 +5848,Ag,FindHistory,20.0,v0,0.006086003859471778 +5879,Ag,FindHistory,20.0,v0,0.006086003859471778 +5910,Ag,FindHistory,20.0,v0,0.006086003859471778 +5941,Ag,FindHistory,20.0,v0,0.006086003859471778 +5980,Ag,FindHistory,20.0,v0,0.006086003859471778 +5987,Ag,FindHistory,20.0,v0,0.006086003859471778 +6028,Ag,FindHistory,20.0,v0,0.006086003859471778 +6065,Ag,FindHistory,20.0,v0,0.006086003859471778 +6096,Ag,FindHistory,20.0,v0,0.006086003859471778 +6127,Ag,FindHistory,20.0,v0,0.006086003859471778 +6158,Ag,FindHistory,20.0,v0,0.006086003859471778 +6189,Ag,FindHistory,20.0,v0,0.006086003859471778 +6220,Ag,FindHistory,20.0,v0,0.006086003859471778 +6251,Ag,FindHistory,20.0,v0,0.006086003859471778 +6282,Ag,FindHistory,20.0,v0,0.006086003859471778 +6321,Ag,FindHistory,20.0,v0,0.006086003859471778 +6328,Ag,FindHistory,20.0,v0,0.006086003859471778 +6450,Au,FindHistory,20.0,v0,0.0032326763175470874 +6700,Cd,bcc,20.0,v0,0.06821529027554532 +6934,Cd,fcc,20.0,v0,0.033648074958232535 +7135,Cd,hcp,20.0,v0,0.09032260734568733 +7178,Cd,hcp,20.0,v0,0.09032260734568733 +7282,Cr,FindHistory,20.0,v0,0.0016540675456679942 +7415,Fe,FindHistory,20.0,v0,0.0008042183406774072 +7552,Hg,hcp,20.0,v0,0.0028925619358450587 +7559,Hg,hcp,20.0,v0,0.0028925619358450587 +7677,Ir,FindHistory,20.0,v0,0.012865378783718514 +7772,Mo,FindHistory,20.0,v0,0.00023711755064414238 +7887,Nb,FindHistory,20.0,v0,0.001843384875918296 +8008,Ni,FindHistory,20.0,v0,0.014634054172332116 +8323,Os,hcp,20.0,v0,0.029437121104541962 +8441,Pd,FindHistory,20.0,v0,0.01634693183238505 +8684,Re,hcp,20.0,v0,1.7373471350941718 +8829,Rh,FindHistory,20.0,v0,0.005497839612485853 +8974,Sc,hcp,20.0,v0,0.005580391283723877 +9044,Ta,FindHistory,20.0,v0,0.00497191097860034 +9418,Tc,hcp,20.0,v0,0.007072420582746412 +9654,Ti,hcp,20.0,v0,0.01319607826595496 +9823,V,FindHistory,20.0,v0,0.004391356308399772 +10056,Y,hcp,20.0,v0,0.0009722469201685472 +10161,Zn,hcp,20.0,v0,0.2870353915039029 +10172,Zn,hcp,20.0,v0,0.2870353915039029 +5316,Ag,FindHistory,22.0,v0,0.006605656233338414 +5353,Ag,FindHistory,22.0,v0,0.006605656233338414 +5384,Ag,FindHistory,22.0,v0,0.006605656233338414 +5415,Ag,FindHistory,22.0,v0,0.006605656233338414 +5446,Ag,FindHistory,22.0,v0,0.006605656233338414 +5477,Ag,FindHistory,22.0,v0,0.006605656233338414 +5508,Ag,FindHistory,22.0,v0,0.006605656233338414 +5539,Ag,FindHistory,22.0,v0,0.006605656233338414 +5570,Ag,FindHistory,22.0,v0,0.006605656233338414 +5609,Ag,FindHistory,22.0,v0,0.006605656233338414 +5626,Ag,FindHistory,22.0,v0,0.006605656233338414 +5657,Ag,FindHistory,22.0,v0,0.006605656233338414 +5694,Ag,FindHistory,22.0,v0,0.006605656233338414 +5725,Ag,FindHistory,22.0,v0,0.006605656233338414 +5756,Ag,FindHistory,22.0,v0,0.006605656233338414 +5787,Ag,FindHistory,22.0,v0,0.006605656233338414 +5818,Ag,FindHistory,22.0,v0,0.006605656233338414 +5849,Ag,FindHistory,22.0,v0,0.006605656233338414 +5880,Ag,FindHistory,22.0,v0,0.006605656233338414 +5911,Ag,FindHistory,22.0,v0,0.006605656233338414 +5942,Ag,FindHistory,22.0,v0,0.006605656233338414 +5981,Ag,FindHistory,22.0,v0,0.006605656233338414 +5998,Ag,FindHistory,22.0,v0,0.006605656233338414 +6029,Ag,FindHistory,22.0,v0,0.006605656233338414 +6066,Ag,FindHistory,22.0,v0,0.006605656233338414 +6097,Ag,FindHistory,22.0,v0,0.006605656233338414 +6128,Ag,FindHistory,22.0,v0,0.006605656233338414 +6159,Ag,FindHistory,22.0,v0,0.006605656233338414 +6190,Ag,FindHistory,22.0,v0,0.006605656233338414 +6221,Ag,FindHistory,22.0,v0,0.006605656233338414 +6252,Ag,FindHistory,22.0,v0,0.006605656233338414 +6283,Ag,FindHistory,22.0,v0,0.006605656233338414 +6322,Ag,FindHistory,22.0,v0,0.006605656233338414 +6339,Ag,FindHistory,22.0,v0,0.006605656233338414 +6481,Au,FindHistory,22.0,v0,0.008314860972630254 +6684,Cd,bcc,22.0,v0,0.017302008872992068 +6939,Cd,fcc,22.0,v0,0.14597656979497428 +7173,Cd,hcp,22.0,v0,0.2151576649153577 +7303,Cr,FindHistory,22.0,v0,0.0003735698667426609 +7413,Fe,FindHistory,22.0,v0,0.0043950972701944585 +7549,Hg,hcp,22.0,v0,0.00042943252369107937 +7556,Hg,hcp,22.0,v0,0.00042943252369107937 +7686,Ir,FindHistory,22.0,v0,0.0009836401949891926 +7766,Mo,FindHistory,22.0,v0,0.003176986843908556 +7897,Nb,FindHistory,22.0,v0,0.008759390147779413 +8009,Ni,FindHistory,22.0,v0,0.002160164805753552 +8293,Os,hcp,22.0,v0,0.029089611230559774 +8450,Pd,FindHistory,22.0,v0,0.026590867643207918 +8678,Re,hcp,22.0,v0,0.002160740513392587 +8804,Rh,FindHistory,22.0,v0,0.015132550860553153 +8969,Sc,hcp,22.0,v0,0.0070341748627078616 +9049,Ta,FindHistory,22.0,v0,0.005598949343608846 +9423,Tc,hcp,22.0,v0,0.0042698883448691475 +9676,Ti,hcp,22.0,v0,0.0065059308364792574 +9817,V,FindHistory,22.0,v0,0.0020238085977947514 +10041,Y,hcp,22.0,v0,0.0006517379543241004 +5317,Ag,FindHistory,24.0,v0,0.006789267950394586 +5354,Ag,FindHistory,24.0,v0,0.006789267950394586 +5385,Ag,FindHistory,24.0,v0,0.006789267950394586 +5416,Ag,FindHistory,24.0,v0,0.006789267950394586 +5447,Ag,FindHistory,24.0,v0,0.006789267950394586 +5478,Ag,FindHistory,24.0,v0,0.006789267950394586 +5509,Ag,FindHistory,24.0,v0,0.006789267950394586 +5540,Ag,FindHistory,24.0,v0,0.006789267950394586 +5571,Ag,FindHistory,24.0,v0,0.006789267950394586 +5610,Ag,FindHistory,24.0,v0,0.006789267950394586 +5633,Ag,FindHistory,24.0,v0,0.006789267950394586 +5658,Ag,FindHistory,24.0,v0,0.006789267950394586 +5695,Ag,FindHistory,24.0,v0,0.006789267950394586 +5726,Ag,FindHistory,24.0,v0,0.006789267950394586 +5757,Ag,FindHistory,24.0,v0,0.006789267950394586 +5788,Ag,FindHistory,24.0,v0,0.006789267950394586 +5819,Ag,FindHistory,24.0,v0,0.006789267950394586 +5850,Ag,FindHistory,24.0,v0,0.006789267950394586 +5881,Ag,FindHistory,24.0,v0,0.006789267950394586 +5912,Ag,FindHistory,24.0,v0,0.006789267950394586 +5943,Ag,FindHistory,24.0,v0,0.006789267950394586 +5982,Ag,FindHistory,24.0,v0,0.006789267950394586 +6005,Ag,FindHistory,24.0,v0,0.006789267950394586 +6030,Ag,FindHistory,24.0,v0,0.006789267950394586 +6067,Ag,FindHistory,24.0,v0,0.006789267950394586 +6098,Ag,FindHistory,24.0,v0,0.006789267950394586 +6129,Ag,FindHistory,24.0,v0,0.006789267950394586 +6160,Ag,FindHistory,24.0,v0,0.006789267950394586 +6191,Ag,FindHistory,24.0,v0,0.006789267950394586 +6222,Ag,FindHistory,24.0,v0,0.006789267950394586 +6253,Ag,FindHistory,24.0,v0,0.006789267950394586 +6284,Ag,FindHistory,24.0,v0,0.006789267950394586 +6323,Ag,FindHistory,24.0,v0,0.006789267950394586 +6346,Ag,FindHistory,24.0,v0,0.006789267950394586 +6458,Au,FindHistory,24.0,v0,0.007286940762974701 +6716,Cd,bcc,24.0,v0,0.10589588786428793 +6972,Cd,fcc,24.0,v0,0.03614403799280205 +7170,Cd,hcp,24.0,v0,0.20759358462315905 +7288,Cr,FindHistory,24.0,v0,0.003861897908633465 +7400,Fe,FindHistory,24.0,v0,0.00978803090028812 +7551,Hg,hcp,24.0,v0,0.0028473494246233433 +7558,Hg,hcp,24.0,v0,0.0028473494246233433 +7666,Ir,FindHistory,24.0,v0,0.00313544382327299 +7755,Mo,FindHistory,24.0,v0,0.0005749471244417337 +7894,Nb,FindHistory,24.0,v0,0.00360637141126136 +8012,Ni,FindHistory,24.0,v0,0.008409982206280149 +8296,Os,hcp,24.0,v0,0.030543067118027917 +8433,Pd,FindHistory,24.0,v0,0.007476236539663737 +8653,Re,hcp,24.0,v0,0.001506150722915386 +8826,Rh,FindHistory,24.0,v0,0.002853615521509025 +8948,Sc,hcp,24.0,v0,0.004846071544173899 +9052,Ta,FindHistory,24.0,v0,0.003401186587069798 +9406,Tc,hcp,24.0,v0,0.003623974625878653 +9687,Ti,hcp,24.0,v0,0.006071975502910907 +9815,V,FindHistory,24.0,v0,0.0022928601145543047 +10043,Y,hcp,24.0,v0,0.004993115279689026 +10164,Zn,hcp,24.0,v0,0.17116191925514915 +10175,Zn,hcp,24.0,v0,0.17116191925514915 +5318,Ag,FindHistory,26.0,v0,0.00309564447502082 +5355,Ag,FindHistory,26.0,v0,0.00309564447502082 +5386,Ag,FindHistory,26.0,v0,0.00309564447502082 +5417,Ag,FindHistory,26.0,v0,0.00309564447502082 +5448,Ag,FindHistory,26.0,v0,0.00309564447502082 +5479,Ag,FindHistory,26.0,v0,0.00309564447502082 +5510,Ag,FindHistory,26.0,v0,0.00309564447502082 +5541,Ag,FindHistory,26.0,v0,0.00309564447502082 +5572,Ag,FindHistory,26.0,v0,0.00309564447502082 +5611,Ag,FindHistory,26.0,v0,0.00309564447502082 +5634,Ag,FindHistory,26.0,v0,0.00309564447502082 +5659,Ag,FindHistory,26.0,v0,0.00309564447502082 +5696,Ag,FindHistory,26.0,v0,0.00309564447502082 +5727,Ag,FindHistory,26.0,v0,0.00309564447502082 +5758,Ag,FindHistory,26.0,v0,0.00309564447502082 +5789,Ag,FindHistory,26.0,v0,0.00309564447502082 +5820,Ag,FindHistory,26.0,v0,0.00309564447502082 +5851,Ag,FindHistory,26.0,v0,0.00309564447502082 +5882,Ag,FindHistory,26.0,v0,0.00309564447502082 +5913,Ag,FindHistory,26.0,v0,0.00309564447502082 +5944,Ag,FindHistory,26.0,v0,0.00309564447502082 +5983,Ag,FindHistory,26.0,v0,0.00309564447502082 +6006,Ag,FindHistory,26.0,v0,0.00309564447502082 +6031,Ag,FindHistory,26.0,v0,0.00309564447502082 +6068,Ag,FindHistory,26.0,v0,0.00309564447502082 +6099,Ag,FindHistory,26.0,v0,0.00309564447502082 +6130,Ag,FindHistory,26.0,v0,0.00309564447502082 +6161,Ag,FindHistory,26.0,v0,0.00309564447502082 +6192,Ag,FindHistory,26.0,v0,0.00309564447502082 +6223,Ag,FindHistory,26.0,v0,0.00309564447502082 +6254,Ag,FindHistory,26.0,v0,0.00309564447502082 +6285,Ag,FindHistory,26.0,v0,0.00309564447502082 +6324,Ag,FindHistory,26.0,v0,0.00309564447502082 +6347,Ag,FindHistory,26.0,v0,0.00309564447502082 +6480,Au,FindHistory,26.0,v0,0.003489685926645177 +6689,Cd,bcc,26.0,v0,0.041296465404358725 +6931,Cd,fcc,26.0,v0,0.0010091495616405878 +7146,Cd,hcp,26.0,v0,0.1146569567074401 +7294,Cr,FindHistory,26.0,v0,0.0013722955380286908 +7405,Fe,FindHistory,26.0,v0,0.012191190557988748 +7550,Hg,hcp,26.0,v0,0.0010598470115984018 +7557,Hg,hcp,26.0,v0,0.0010598470115984018 +7689,Ir,FindHistory,26.0,v0,0.0008788136103850662 +7768,Mo,FindHistory,26.0,v0,0.0003181346633162462 +7896,Nb,FindHistory,26.0,v0,0.0051647660379707284 +8014,Ni,FindHistory,26.0,v0,0.01889534826772031 +8321,Os,hcp,26.0,v0,0.028906421632406733 +8452,Pd,FindHistory,26.0,v0,0.0035841086340877436 +8658,Re,hcp,26.0,v0,0.00048179454737990715 +8797,Rh,FindHistory,26.0,v0,0.0012196612193082856 +8953,Sc,hcp,26.0,v0,0.004251833885515663 +9045,Ta,FindHistory,26.0,v0,0.0017095350660139915 +9439,Tc,hcp,26.0,v0,0.006290838381264609 +9695,Ti,hcp,26.0,v0,0.007850713683762937 +9818,V,FindHistory,26.0,v0,0.00271228152455338 +10022,Y,hcp,26.0,v0,0.0012355274624066366 +10035,Y,hcp,26.0,v0,0.0012355274624066366 +5294,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5319,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5356,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5387,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5418,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5449,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5480,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5511,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5542,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5573,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5612,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5635,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5660,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5697,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5728,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5759,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5790,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5821,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5852,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5883,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5914,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5945,Ag,FindHistory,28.0,v0,0.0048469031023179315 +5984,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6007,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6032,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6069,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6100,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6131,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6162,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6193,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6224,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6255,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6286,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6325,Ag,FindHistory,28.0,v0,0.0048469031023179315 +6456,Au,FindHistory,28.0,v0,0.0023264841880454115 +6718,Cd,bcc,28.0,v0,0.05301295590353833 +6960,Cd,fcc,28.0,v0,0.02634087837882837 +7148,Cd,hcp,28.0,v0,0.08117552079476907 +7276,Cr,FindHistory,28.0,v0,0.0008927502700076008 +7423,Fe,FindHistory,28.0,v0,0.00853247020113122 +7690,Ir,FindHistory,28.0,v0,0.0007544152821000763 +7764,Mo,FindHistory,28.0,v0,0.002236964155457616 +7869,Nb,FindHistory,28.0,v0,0.0016357271394141035 +8016,Ni,FindHistory,28.0,v0,0.0017790277795957964 +8278,Os,hcp,28.0,v0,0.030185687007628168 +8454,Pd,FindHistory,28.0,v0,0.008634536153290599 +8664,Re,hcp,28.0,v0,0.0008616436044459878 +8803,Rh,FindHistory,28.0,v0,0.0016576661002170045 +8952,Sc,hcp,28.0,v0,0.005855916619694887 +9043,Ta,FindHistory,28.0,v0,0.002147764795442565 +9430,Tc,hcp,28.0,v0,0.0001051481849949932 +9701,Ti,hcp,28.0,v0,0.007197772967940337 +9816,V,FindHistory,28.0,v0,0.003133913409117566 +10032,Y,hcp,28.0,v0,0.0017876838319141825 +5295,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5320,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5357,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5388,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5419,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5450,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5481,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5512,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5543,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5574,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5613,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5636,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5661,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5698,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5729,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5760,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5791,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5822,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5853,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5884,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5915,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5946,Ag,FindHistory,30.0,v0,0.0032734866005600933 +5985,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6008,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6033,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6070,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6101,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6132,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6163,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6194,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6225,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6256,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6287,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6326,Ag,FindHistory,30.0,v0,0.0032734866005600933 +6483,Au,FindHistory,30.0,v0,0.0008110799769394286 +6674,Cd,bcc,30.0,v0,0.06177884707090898 +6948,Cd,fcc,30.0,v0,0.011061517695623023 +7138,Cd,hcp,30.0,v0,0.07145356431362619 +7158,Cd,hcp,30.0,v0,0.07145356431362619 +7287,Cr,FindHistory,30.0,v0,4.504511294106921e-05 +7402,Fe,FindHistory,30.0,v0,0.002362549295585865 +7680,Ir,FindHistory,30.0,v0,0.0016048444128716622 +7770,Mo,FindHistory,30.0,v0,0.002210021030260629 +7893,Nb,FindHistory,30.0,v0,0.004046040367913893 +8027,Ni,FindHistory,30.0,v0,0.005637694623514725 +8302,Os,hcp,30.0,v0,0.02920763898372162 +8456,Pd,FindHistory,30.0,v0,0.0022944154737462303 +8691,Re,hcp,30.0,v0,0.0008152523853173651 +8812,Rh,FindHistory,30.0,v0,0.005576395808894045 +8961,Sc,hcp,30.0,v0,0.005191939900020162 +9047,Ta,FindHistory,30.0,v0,0.002085077239910388 +9404,Tc,hcp,30.0,v0,0.002187463200779825 +9691,Ti,hcp,30.0,v0,0.006467558745669511 +9820,V,FindHistory,30.0,v0,0.002452228899424339 +10033,Y,hcp,30.0,v0,0.00017501697559472017 +5296,Ag,FindHistory,32.0,v0,0.005581379078910308 +5321,Ag,FindHistory,32.0,v0,0.005581379078910308 +5358,Ag,FindHistory,32.0,v0,0.005581379078910308 +5389,Ag,FindHistory,32.0,v0,0.005581379078910308 +5420,Ag,FindHistory,32.0,v0,0.005581379078910308 +5451,Ag,FindHistory,32.0,v0,0.005581379078910308 +5482,Ag,FindHistory,32.0,v0,0.005581379078910308 +5513,Ag,FindHistory,32.0,v0,0.005581379078910308 +5544,Ag,FindHistory,32.0,v0,0.005581379078910308 +5575,Ag,FindHistory,32.0,v0,0.005581379078910308 +5614,Ag,FindHistory,32.0,v0,0.005581379078910308 +5637,Ag,FindHistory,32.0,v0,0.005581379078910308 +5662,Ag,FindHistory,32.0,v0,0.005581379078910308 +5699,Ag,FindHistory,32.0,v0,0.005581379078910308 +5730,Ag,FindHistory,32.0,v0,0.005581379078910308 +5761,Ag,FindHistory,32.0,v0,0.005581379078910308 +5792,Ag,FindHistory,32.0,v0,0.005581379078910308 +5823,Ag,FindHistory,32.0,v0,0.005581379078910308 +5854,Ag,FindHistory,32.0,v0,0.005581379078910308 +5885,Ag,FindHistory,32.0,v0,0.005581379078910308 +5916,Ag,FindHistory,32.0,v0,0.005581379078910308 +5947,Ag,FindHistory,32.0,v0,0.005581379078910308 +5986,Ag,FindHistory,32.0,v0,0.005581379078910308 +6009,Ag,FindHistory,32.0,v0,0.005581379078910308 +6034,Ag,FindHistory,32.0,v0,0.005581379078910308 +6071,Ag,FindHistory,32.0,v0,0.005581379078910308 +6102,Ag,FindHistory,32.0,v0,0.005581379078910308 +6133,Ag,FindHistory,32.0,v0,0.005581379078910308 +6164,Ag,FindHistory,32.0,v0,0.005581379078910308 +6195,Ag,FindHistory,32.0,v0,0.005581379078910308 +6226,Ag,FindHistory,32.0,v0,0.005581379078910308 +6257,Ag,FindHistory,32.0,v0,0.005581379078910308 +6288,Ag,FindHistory,32.0,v0,0.005581379078910308 +6327,Ag,FindHistory,32.0,v0,0.005581379078910308 +6463,Au,FindHistory,32.0,v0,0.0016927477107371706 +6736,Cd,bcc,32.0,v0,0.04062429193257162 +6980,Cd,fcc,32.0,v0,0.020235847512952442 +7141,Cd,hcp,32.0,v0,0.03628375363894104 +7166,Cd,hcp,32.0,v0,0.03628375363894104 +7291,Cr,FindHistory,32.0,v0,0.0002257569404006273 +7403,Fe,FindHistory,32.0,v0,0.003801319091845921 +7676,Ir,FindHistory,32.0,v0,0.00018988353543861867 +7759,Mo,FindHistory,32.0,v0,0.0009165905034613448 +7889,Nb,FindHistory,32.0,v0,0.0003939432216189236 +8021,Ni,FindHistory,32.0,v0,0.002624555396484993 +8282,Os,hcp,32.0,v0,0.029753591120147124 +8446,Pd,FindHistory,32.0,v0,0.0008123577253969117 +8690,Re,hcp,32.0,v0,0.0003750348764027585 +8827,Rh,FindHistory,32.0,v0,0.0005987324983633057 +8968,Sc,hcp,32.0,v0,0.005039184604053037 +9048,Ta,FindHistory,32.0,v0,0.00030267186381497936 +9448,Tc,hcp,32.0,v0,0.002226052749221145 +9680,Ti,hcp,32.0,v0,0.006539274935254696 +9829,V,FindHistory,32.0,v0,0.0014873886414174724 +10031,Y,hcp,32.0,v0,0.0010531448296365324 +5297,Ag,FindHistory,34.0,v0,0.008035771341576212 +5323,Ag,FindHistory,34.0,v0,0.008035771341576212 +5359,Ag,FindHistory,34.0,v0,0.008035771341576212 +5390,Ag,FindHistory,34.0,v0,0.008035771341576212 +5421,Ag,FindHistory,34.0,v0,0.008035771341576212 +5452,Ag,FindHistory,34.0,v0,0.008035771341576212 +5483,Ag,FindHistory,34.0,v0,0.008035771341576212 +5514,Ag,FindHistory,34.0,v0,0.008035771341576212 +5545,Ag,FindHistory,34.0,v0,0.008035771341576212 +5576,Ag,FindHistory,34.0,v0,0.008035771341576212 +5616,Ag,FindHistory,34.0,v0,0.008035771341576212 +5638,Ag,FindHistory,34.0,v0,0.008035771341576212 +5664,Ag,FindHistory,34.0,v0,0.008035771341576212 +5700,Ag,FindHistory,34.0,v0,0.008035771341576212 +5731,Ag,FindHistory,34.0,v0,0.008035771341576212 +5762,Ag,FindHistory,34.0,v0,0.008035771341576212 +5793,Ag,FindHistory,34.0,v0,0.008035771341576212 +5824,Ag,FindHistory,34.0,v0,0.008035771341576212 +5855,Ag,FindHistory,34.0,v0,0.008035771341576212 +5886,Ag,FindHistory,34.0,v0,0.008035771341576212 +5917,Ag,FindHistory,34.0,v0,0.008035771341576212 +5948,Ag,FindHistory,34.0,v0,0.008035771341576212 +5988,Ag,FindHistory,34.0,v0,0.008035771341576212 +6010,Ag,FindHistory,34.0,v0,0.008035771341576212 +6036,Ag,FindHistory,34.0,v0,0.008035771341576212 +6072,Ag,FindHistory,34.0,v0,0.008035771341576212 +6103,Ag,FindHistory,34.0,v0,0.008035771341576212 +6134,Ag,FindHistory,34.0,v0,0.008035771341576212 +6165,Ag,FindHistory,34.0,v0,0.008035771341576212 +6196,Ag,FindHistory,34.0,v0,0.008035771341576212 +6227,Ag,FindHistory,34.0,v0,0.008035771341576212 +6258,Ag,FindHistory,34.0,v0,0.008035771341576212 +6289,Ag,FindHistory,34.0,v0,0.008035771341576212 +6329,Ag,FindHistory,34.0,v0,0.008035771341576212 +6476,Au,FindHistory,34.0,v0,0.003943725027466961 +6708,Cd,bcc,34.0,v0,0.03836493887032601 +6944,Cd,fcc,34.0,v0,0.003957015570674615 +7139,Cd,hcp,34.0,v0,0.057458546030571336 +7160,Cd,hcp,34.0,v0,0.057458546030571336 +7280,Cr,FindHistory,34.0,v0,0.0015249123827278774 +7411,Fe,FindHistory,34.0,v0,0.004432003276352446 +7672,Ir,FindHistory,34.0,v0,0.00022408845849438683 +7769,Mo,FindHistory,34.0,v0,0.0012945322197268786 +7872,Nb,FindHistory,34.0,v0,0.0015142819623641206 +8033,Ni,FindHistory,34.0,v0,0.0030593237052438968 +8308,Os,hcp,34.0,v0,0.029176974627282456 +8428,Pd,FindHistory,34.0,v0,0.0030611145092139533 +8685,Re,hcp,34.0,v0,0.3965492931016693 +8818,Rh,FindHistory,34.0,v0,0.0009910353396577311 +8965,Sc,hcp,34.0,v0,0.004094339724010972 +9038,Ta,FindHistory,34.0,v0,0.0010263661762934812 +9459,Tc,hcp,34.0,v0,0.001152146531371556 +9684,Ti,hcp,34.0,v0,0.00759032545047187 +9831,V,FindHistory,34.0,v0,1.9416640862589057e-06 +10055,Y,hcp,34.0,v0,1.0440101162161096e-05 +5298,Ag,FindHistory,36.0,v0,0.011006212840594234 +5324,Ag,FindHistory,36.0,v0,0.011006212840594234 +5360,Ag,FindHistory,36.0,v0,0.011006212840594234 +5391,Ag,FindHistory,36.0,v0,0.011006212840594234 +5422,Ag,FindHistory,36.0,v0,0.011006212840594234 +5453,Ag,FindHistory,36.0,v0,0.011006212840594234 +5484,Ag,FindHistory,36.0,v0,0.011006212840594234 +5515,Ag,FindHistory,36.0,v0,0.011006212840594234 +5546,Ag,FindHistory,36.0,v0,0.011006212840594234 +5577,Ag,FindHistory,36.0,v0,0.011006212840594234 +5617,Ag,FindHistory,36.0,v0,0.011006212840594234 +5639,Ag,FindHistory,36.0,v0,0.011006212840594234 +5665,Ag,FindHistory,36.0,v0,0.011006212840594234 +5701,Ag,FindHistory,36.0,v0,0.011006212840594234 +5732,Ag,FindHistory,36.0,v0,0.011006212840594234 +5763,Ag,FindHistory,36.0,v0,0.011006212840594234 +5794,Ag,FindHistory,36.0,v0,0.011006212840594234 +5825,Ag,FindHistory,36.0,v0,0.011006212840594234 +5856,Ag,FindHistory,36.0,v0,0.011006212840594234 +5887,Ag,FindHistory,36.0,v0,0.011006212840594234 +5918,Ag,FindHistory,36.0,v0,0.011006212840594234 +5949,Ag,FindHistory,36.0,v0,0.011006212840594234 +5989,Ag,FindHistory,36.0,v0,0.011006212840594234 +6011,Ag,FindHistory,36.0,v0,0.011006212840594234 +6037,Ag,FindHistory,36.0,v0,0.011006212840594234 +6073,Ag,FindHistory,36.0,v0,0.011006212840594234 +6104,Ag,FindHistory,36.0,v0,0.011006212840594234 +6135,Ag,FindHistory,36.0,v0,0.011006212840594234 +6166,Ag,FindHistory,36.0,v0,0.011006212840594234 +6197,Ag,FindHistory,36.0,v0,0.011006212840594234 +6228,Ag,FindHistory,36.0,v0,0.011006212840594234 +6259,Ag,FindHistory,36.0,v0,0.011006212840594234 +6290,Ag,FindHistory,36.0,v0,0.011006212840594234 +6330,Ag,FindHistory,36.0,v0,0.011006212840594234 +6478,Au,FindHistory,36.0,v0,0.00196360290434127 +6712,Cd,bcc,36.0,v0,0.033678155813246916 +6973,Cd,fcc,36.0,v0,0.02719448494018827 +7149,Cd,hcp,36.0,v0,0.058454540743622864 +7286,Cr,FindHistory,36.0,v0,0.000227663816601007 +7409,Fe,FindHistory,36.0,v0,0.0011069102914650648 +7684,Ir,FindHistory,36.0,v0,0.00010400850966406435 +7773,Mo,FindHistory,36.0,v0,0.00033844660391609184 +7876,Nb,FindHistory,36.0,v0,0.0010075439648897918 +8025,Ni,FindHistory,36.0,v0,0.003785175975828588 +8304,Os,hcp,36.0,v0,0.029430110217274208 +8427,Pd,FindHistory,36.0,v0,0.00652319590544921 +8686,Re,hcp,36.0,v0,0.0014807960574089113 +8802,Rh,FindHistory,36.0,v0,0.0009858679726353944 +8959,Sc,hcp,36.0,v0,0.0049599266799086345 +9037,Ta,FindHistory,36.0,v0,0.0013903919472900625 +9410,Tc,hcp,36.0,v0,0.0015919836130849408 +9679,Ti,hcp,36.0,v0,0.0073999807721105175 +9833,V,FindHistory,36.0,v0,0.00015913839751122337 +10038,Y,hcp,36.0,v0,0.001638326909490942 +5299,Ag,FindHistory,38.0,v0,0.00815943260400772 +5325,Ag,FindHistory,38.0,v0,0.00815943260400772 +5361,Ag,FindHistory,38.0,v0,0.00815943260400772 +5392,Ag,FindHistory,38.0,v0,0.00815943260400772 +5423,Ag,FindHistory,38.0,v0,0.00815943260400772 +5454,Ag,FindHistory,38.0,v0,0.00815943260400772 +5485,Ag,FindHistory,38.0,v0,0.00815943260400772 +5516,Ag,FindHistory,38.0,v0,0.00815943260400772 +5547,Ag,FindHistory,38.0,v0,0.00815943260400772 +5578,Ag,FindHistory,38.0,v0,0.00815943260400772 +5618,Ag,FindHistory,38.0,v0,0.00815943260400772 +5640,Ag,FindHistory,38.0,v0,0.00815943260400772 +5666,Ag,FindHistory,38.0,v0,0.00815943260400772 +5702,Ag,FindHistory,38.0,v0,0.00815943260400772 +5733,Ag,FindHistory,38.0,v0,0.00815943260400772 +5764,Ag,FindHistory,38.0,v0,0.00815943260400772 +5795,Ag,FindHistory,38.0,v0,0.00815943260400772 +5826,Ag,FindHistory,38.0,v0,0.00815943260400772 +5857,Ag,FindHistory,38.0,v0,0.00815943260400772 +5888,Ag,FindHistory,38.0,v0,0.00815943260400772 +5919,Ag,FindHistory,38.0,v0,0.00815943260400772 +5950,Ag,FindHistory,38.0,v0,0.00815943260400772 +5990,Ag,FindHistory,38.0,v0,0.00815943260400772 +6012,Ag,FindHistory,38.0,v0,0.00815943260400772 +6038,Ag,FindHistory,38.0,v0,0.00815943260400772 +6074,Ag,FindHistory,38.0,v0,0.00815943260400772 +6105,Ag,FindHistory,38.0,v0,0.00815943260400772 +6136,Ag,FindHistory,38.0,v0,0.00815943260400772 +6167,Ag,FindHistory,38.0,v0,0.00815943260400772 +6198,Ag,FindHistory,38.0,v0,0.00815943260400772 +6229,Ag,FindHistory,38.0,v0,0.00815943260400772 +6260,Ag,FindHistory,38.0,v0,0.00815943260400772 +6291,Ag,FindHistory,38.0,v0,0.00815943260400772 +6331,Ag,FindHistory,38.0,v0,0.00815943260400772 +6467,Au,FindHistory,38.0,v0,0.0019716831868830734 +6727,Cd,bcc,38.0,v0,0.04041190582869896 +6946,Cd,fcc,38.0,v0,0.011064939743652618 +7172,Cd,hcp,38.0,v0,0.07218447349516406 +7277,Cr,FindHistory,38.0,v0,0.00018315962352550712 +7397,Fe,FindHistory,38.0,v0,0.004008685388730251 +7688,Ir,FindHistory,38.0,v0,0.002352910982698945 +7765,Mo,FindHistory,38.0,v0,0.00024963054676200555 +7879,Nb,FindHistory,38.0,v0,0.00032683929115189485 +8007,Ni,FindHistory,38.0,v0,0.006302964259156985 +8280,Os,hcp,38.0,v0,0.02960783647251715 +8449,Pd,FindHistory,38.0,v0,0.001165566434648912 +8641,Re,hcp,38.0,v0,0.0002492474006282807 +8808,Rh,FindHistory,38.0,v0,0.002371809686192973 +8960,Sc,hcp,38.0,v0,0.005461277861266407 +9046,Ta,FindHistory,38.0,v0,4.272653990180595e-06 +9445,Tc,hcp,38.0,v0,9.737942027672002e-05 +9651,Ti,hcp,38.0,v0,0.0067759377081741965 +9836,V,FindHistory,38.0,v0,0.0008511963644461774 +10023,Y,hcp,38.0,v0,0.00010068293510426752 +10057,Y,hcp,38.0,v0,0.00010068293510426752 +5300,Ag,FindHistory,40.0,v0,0.008529631428028102 +5326,Ag,FindHistory,40.0,v0,0.008529631428028102 +5362,Ag,FindHistory,40.0,v0,0.008529631428028102 +5393,Ag,FindHistory,40.0,v0,0.008529631428028102 +5424,Ag,FindHistory,40.0,v0,0.008529631428028102 +5455,Ag,FindHistory,40.0,v0,0.008529631428028102 +5486,Ag,FindHistory,40.0,v0,0.008529631428028102 +5517,Ag,FindHistory,40.0,v0,0.008529631428028102 +5548,Ag,FindHistory,40.0,v0,0.008529631428028102 +5579,Ag,FindHistory,40.0,v0,0.008529631428028102 +5619,Ag,FindHistory,40.0,v0,0.008529631428028102 +5641,Ag,FindHistory,40.0,v0,0.008529631428028102 +5667,Ag,FindHistory,40.0,v0,0.008529631428028102 +5703,Ag,FindHistory,40.0,v0,0.008529631428028102 +5734,Ag,FindHistory,40.0,v0,0.008529631428028102 +5765,Ag,FindHistory,40.0,v0,0.008529631428028102 +5796,Ag,FindHistory,40.0,v0,0.008529631428028102 +5827,Ag,FindHistory,40.0,v0,0.008529631428028102 +5858,Ag,FindHistory,40.0,v0,0.008529631428028102 +5889,Ag,FindHistory,40.0,v0,0.008529631428028102 +5920,Ag,FindHistory,40.0,v0,0.008529631428028102 +5951,Ag,FindHistory,40.0,v0,0.008529631428028102 +5991,Ag,FindHistory,40.0,v0,0.008529631428028102 +6013,Ag,FindHistory,40.0,v0,0.008529631428028102 +6039,Ag,FindHistory,40.0,v0,0.008529631428028102 +6075,Ag,FindHistory,40.0,v0,0.008529631428028102 +6106,Ag,FindHistory,40.0,v0,0.008529631428028102 +6137,Ag,FindHistory,40.0,v0,0.008529631428028102 +6168,Ag,FindHistory,40.0,v0,0.008529631428028102 +6199,Ag,FindHistory,40.0,v0,0.008529631428028102 +6230,Ag,FindHistory,40.0,v0,0.008529631428028102 +6261,Ag,FindHistory,40.0,v0,0.008529631428028102 +6292,Ag,FindHistory,40.0,v0,0.008529631428028102 +6332,Ag,FindHistory,40.0,v0,0.008529631428028102 +6471,Au,FindHistory,40.0,v0,0.0036880087348703256 +6711,Cd,bcc,40.0,v0,0.020385606671744574 +6926,Cd,fcc,40.0,v0,0.008227704998097295 +7296,Cr,FindHistory,40.0,v0,3.866261923570182e-05 +7401,Fe,FindHistory,40.0,v0,0.0006249270976267185 +7687,Ir,FindHistory,40.0,v0,0.00010511225821989659 +7760,Mo,FindHistory,40.0,v0,0.00011546271128263856 +7880,Nb,FindHistory,40.0,v0,0.0003417516416821745 +8013,Ni,FindHistory,40.0,v0,0.003837497676600122 +8301,Os,hcp,40.0,v0,0.029336623897253493 +8429,Pd,FindHistory,40.0,v0,0.0033269393542764304 +8661,Re,hcp,40.0,v0,0.0002459230877904996 +8809,Rh,FindHistory,40.0,v0,0.001630751225404895 +8955,Sc,hcp,40.0,v0,0.005115589328926674 +9040,Ta,FindHistory,40.0,v0,9.858028335055219e-05 +9411,Tc,hcp,40.0,v0,0.00010675737776020576 +9686,Ti,hcp,40.0,v0,0.007444200952341827 +9814,V,FindHistory,40.0,v0,0.0005717267229490555 +10027,Y,hcp,40.0,v0,0.0006856909512488001 +10050,Y,hcp,40.0,v0,0.0006856909512488001 +5301,Ag,FindHistory,42.0,v0,0.006729686122990342 +5327,Ag,FindHistory,42.0,v0,0.006729686122990342 +5363,Ag,FindHistory,42.0,v0,0.006729686122990342 +5394,Ag,FindHistory,42.0,v0,0.006729686122990342 +5425,Ag,FindHistory,42.0,v0,0.006729686122990342 +5456,Ag,FindHistory,42.0,v0,0.006729686122990342 +5487,Ag,FindHistory,42.0,v0,0.006729686122990342 +5518,Ag,FindHistory,42.0,v0,0.006729686122990342 +5549,Ag,FindHistory,42.0,v0,0.006729686122990342 +5580,Ag,FindHistory,42.0,v0,0.006729686122990342 +5620,Ag,FindHistory,42.0,v0,0.006729686122990342 +5642,Ag,FindHistory,42.0,v0,0.006729686122990342 +5668,Ag,FindHistory,42.0,v0,0.006729686122990342 +5704,Ag,FindHistory,42.0,v0,0.006729686122990342 +5735,Ag,FindHistory,42.0,v0,0.006729686122990342 +5766,Ag,FindHistory,42.0,v0,0.006729686122990342 +5797,Ag,FindHistory,42.0,v0,0.006729686122990342 +5828,Ag,FindHistory,42.0,v0,0.006729686122990342 +5859,Ag,FindHistory,42.0,v0,0.006729686122990342 +5890,Ag,FindHistory,42.0,v0,0.006729686122990342 +5921,Ag,FindHistory,42.0,v0,0.006729686122990342 +5952,Ag,FindHistory,42.0,v0,0.006729686122990342 +5992,Ag,FindHistory,42.0,v0,0.006729686122990342 +6014,Ag,FindHistory,42.0,v0,0.006729686122990342 +6040,Ag,FindHistory,42.0,v0,0.006729686122990342 +6076,Ag,FindHistory,42.0,v0,0.006729686122990342 +6107,Ag,FindHistory,42.0,v0,0.006729686122990342 +6138,Ag,FindHistory,42.0,v0,0.006729686122990342 +6169,Ag,FindHistory,42.0,v0,0.006729686122990342 +6200,Ag,FindHistory,42.0,v0,0.006729686122990342 +6231,Ag,FindHistory,42.0,v0,0.006729686122990342 +6262,Ag,FindHistory,42.0,v0,0.006729686122990342 +6293,Ag,FindHistory,42.0,v0,0.006729686122990342 +6333,Ag,FindHistory,42.0,v0,0.006729686122990342 +6466,Au,FindHistory,42.0,v0,0.0020722357716591094 +6691,Cd,bcc,42.0,v0,0.0315827053449233 +6981,Cd,fcc,42.0,v0,0.00030166574455675474 +7416,Fe,FindHistory,42.0,v0,0.0014175683529310985 +7667,Ir,FindHistory,42.0,v0,0.0006175964054600491 +7883,Nb,FindHistory,42.0,v0,0.0006592692086876237 +8023,Ni,FindHistory,42.0,v0,0.0023076954046436 +8294,Os,hcp,42.0,v0,0.02975011527531224 +8435,Pd,FindHistory,42.0,v0,0.004418732531040153 +8805,Rh,FindHistory,42.0,v0,0.0009543048086193717 +8951,Sc,hcp,42.0,v0,0.0045327437980278345 +9415,Tc,hcp,42.0,v0,0.000622360735490528 +9665,Ti,hcp,42.0,v0,0.0020617029309825973 +9707,Ti,hcp,42.0,v0,0.0020617029309825973 +9830,V,FindHistory,42.0,v0,0.0006465995664348174 +10026,Y,hcp,42.0,v0,0.00020053203344585325 +10044,Y,hcp,42.0,v0,0.00020053203344585325 +10160,Zn,hcp,42.0,v0,0.04847442006001995 +10171,Zn,hcp,42.0,v0,0.04847442006001995 +5302,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5328,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5364,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5395,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5426,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5457,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5488,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5519,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5550,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5581,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5621,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5643,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5669,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5705,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5736,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5767,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5798,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5829,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5860,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5891,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5922,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5953,Ag,FindHistory,44.0,v0,0.0065679418769782035 +5993,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6015,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6041,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6077,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6108,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6139,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6170,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6201,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6232,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6263,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6294,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6334,Ag,FindHistory,44.0,v0,0.0065679418769782035 +6468,Au,FindHistory,44.0,v0,0.00035864097480658216 +6725,Cd,bcc,44.0,v0,0.029449504834153713 +6982,Cd,fcc,44.0,v0,0.006255873717052049 +7164,Cd,hcp,44.0,v0,0.05752977662429964 +7417,Fe,FindHistory,44.0,v0,0.0001572628952376269 +7681,Ir,FindHistory,44.0,v0,0.0003141059206024093 +7885,Nb,FindHistory,44.0,v0,2.3804361661291235e-05 +8005,Ni,FindHistory,44.0,v0,0.00029147237557116323 +8303,Os,hcp,44.0,v0,0.02932274468733131 +8447,Pd,FindHistory,44.0,v0,0.003253959878001344 +8677,Re,hcp,44.0,v0,0.0007776170797503853 +8825,Rh,FindHistory,44.0,v0,0.0002954563012750421 +8949,Sc,hcp,44.0,v0,0.004971682588525261 +9402,Tc,hcp,44.0,v0,0.0009601943997142313 +9652,Ti,hcp,44.0,v0,0.001973569167466211 +9673,Ti,hcp,44.0,v0,0.001973569167466211 +9828,V,FindHistory,44.0,v0,0.00027647535691080927 +10021,Y,hcp,44.0,v0,0.00011192786534488745 +10034,Y,hcp,44.0,v0,0.00011192786534488745 +5303,Ag,FindHistory,46.0,v0,0.003036496384458558 +5329,Ag,FindHistory,46.0,v0,0.003036496384458558 +5365,Ag,FindHistory,46.0,v0,0.003036496384458558 +5396,Ag,FindHistory,46.0,v0,0.003036496384458558 +5427,Ag,FindHistory,46.0,v0,0.003036496384458558 +5458,Ag,FindHistory,46.0,v0,0.003036496384458558 +5489,Ag,FindHistory,46.0,v0,0.003036496384458558 +5520,Ag,FindHistory,46.0,v0,0.003036496384458558 +5551,Ag,FindHistory,46.0,v0,0.003036496384458558 +5582,Ag,FindHistory,46.0,v0,0.003036496384458558 +5622,Ag,FindHistory,46.0,v0,0.003036496384458558 +5644,Ag,FindHistory,46.0,v0,0.003036496384458558 +5670,Ag,FindHistory,46.0,v0,0.003036496384458558 +5706,Ag,FindHistory,46.0,v0,0.003036496384458558 +5737,Ag,FindHistory,46.0,v0,0.003036496384458558 +5768,Ag,FindHistory,46.0,v0,0.003036496384458558 +5799,Ag,FindHistory,46.0,v0,0.003036496384458558 +5830,Ag,FindHistory,46.0,v0,0.003036496384458558 +5861,Ag,FindHistory,46.0,v0,0.003036496384458558 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+8950,Sc,hcp,48.0,v0,0.004999270198038288 +9442,Tc,hcp,48.0,v0,0.0001938725871467884 +9653,Ti,hcp,48.0,v0,0.0016972946630824885 +9678,Ti,hcp,48.0,v0,0.0016972946630824885 +9825,V,FindHistory,48.0,v0,0.0010721502648439758 +10024,Y,hcp,48.0,v0,0.000216624339063264 +10058,Y,hcp,48.0,v0,0.000216624339063264 +5305,Ag,FindHistory,50.0,v0,0.002849033998836657 +5331,Ag,FindHistory,50.0,v0,0.002849033998836657 +5367,Ag,FindHistory,50.0,v0,0.002849033998836657 +5398,Ag,FindHistory,50.0,v0,0.002849033998836657 +5429,Ag,FindHistory,50.0,v0,0.002849033998836657 +5460,Ag,FindHistory,50.0,v0,0.002849033998836657 +5491,Ag,FindHistory,50.0,v0,0.002849033998836657 +5522,Ag,FindHistory,50.0,v0,0.002849033998836657 +5553,Ag,FindHistory,50.0,v0,0.002849033998836657 +5584,Ag,FindHistory,50.0,v0,0.002849033998836657 +5624,Ag,FindHistory,50.0,v0,0.002849033998836657 +5646,Ag,FindHistory,50.0,v0,0.002849033998836657 +5672,Ag,FindHistory,50.0,v0,0.002849033998836657 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+6337,Ag,FindHistory,50.0,v0,0.002849033998836657 +6455,Au,FindHistory,50.0,v0,0.0008535055804408815 +6678,Cd,bcc,50.0,v0,0.02145445830835561 +6956,Cd,fcc,50.0,v0,0.0077481200146485565 +7305,Cr,FindHistory,50.0,v0,0.0007326008856284652 +7421,Fe,FindHistory,50.0,v0,0.0004696830821793089 +7697,Ir,FindHistory,50.0,v0,1.0579996984089754e-05 +7870,Nb,FindHistory,50.0,v0,0.00010662553655661956 +8015,Ni,FindHistory,50.0,v0,0.0025390854091848344 +8315,Os,hcp,50.0,v0,0.029494313691671426 +8457,Pd,FindHistory,50.0,v0,0.0016883245224435085 +8669,Re,hcp,50.0,v0,0.00024054415539505425 +8819,Rh,FindHistory,50.0,v0,0.0008838114163875162 +8943,Sc,hcp,50.0,v0,0.004675224558827164 +9428,Tc,hcp,50.0,v0,0.00030226765825166335 +9655,Ti,hcp,50.0,v0,0.0014352814659946596 +9688,Ti,hcp,50.0,v0,0.0014352814659946596 +9812,V,FindHistory,50.0,v0,0.0003170700641071101 +5311,Ag,FindHistory,52.0,v0,0.0019131827269104227 +5332,Ag,FindHistory,52.0,v0,0.0019131827269104227 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+8828,Rh,FindHistory,66.0,v0,0.0002259400954212293 +9405,Tc,hcp,66.0,v0,0.0006757479075795593 +9819,V,FindHistory,66.0,v0,0.0001323795414019047 +6454,Au,FindHistory,68.0,v0,0.00013188668773296127 +6688,Cd,bcc,68.0,v0,0.005843319583188192 +6957,Cd,fcc,68.0,v0,0.0014025208227101467 +7290,Cr,FindHistory,68.0,v0,0.0001143981028776862 +7465,Hg,bcc,68.0,v0,0.01008807748695708 +7471,Hg,bcc,68.0,v0,0.01008807748695708 +7678,Ir,FindHistory,68.0,v0,2.987630530678997e-05 +8029,Ni,FindHistory,68.0,v0,0.0003516058340817975 +8437,Pd,FindHistory,68.0,v0,0.0004198173691249957 +8683,Re,hcp,68.0,v0,0.00024432832558744403 +8824,Rh,FindHistory,68.0,v0,0.0002398751300639344 +8836,Sc,bcc,68.0,v0,49.60650727858701 +8837,Sc,bcc,68.0,v0,49.60650727858701 +9185,Tc,bcc,68.0,v0,0.009214885252192924 +9452,Tc,hcp,68.0,v0,5.2721175266528665e-05 +9810,V,FindHistory,68.0,v0,0.0003460721368109187 +9860,Y,bcc,68.0,v0,0.0019113065157896321 +9863,Y,bcc,68.0,v0,0.0019113065157896321 +6462,Au,FindHistory,70.0,v0,0.0002977154772192112 +6971,Cd,fcc,70.0,v0,0.0002014236783133217 +7298,Cr,FindHistory,70.0,v0,3.177440701625796e-05 +7673,Ir,FindHistory,70.0,v0,9.046154750436921e-05 +8004,Ni,FindHistory,70.0,v0,0.0004393705763823061 +8079,Os,bcc,70.0,v0,0.00018620874501963275 +8086,Os,bcc,70.0,v0,0.00018620874501963275 +8436,Pd,FindHistory,70.0,v0,0.00042061787880206804 +8822,Rh,FindHistory,70.0,v0,0.0001471301720856391 +9186,Tc,bcc,70.0,v0,0.006343881625825729 +9449,Tc,hcp,70.0,v0,0.00014258218904692534 +9834,V,FindHistory,70.0,v0,0.0001328330300192461 diff --git a/benchmark-view/crossfilter_app/Data/main_with_precs_v4.csv b/benchmark-view/crossfilter_app/Data/main_with_precs_v4.csv new file mode 100644 index 0000000..ce84ce1 --- /dev/null +++ b/benchmark-view/crossfilter_app/Data/main_with_precs_v4.csv @@ -0,0 +1,10181 @@ +,bz_integration,calculations_type,code,element,energy,exchange,extrapolate,extrapolate_err,k-point,pade_order,perc_precisions,precision,property,structure,value,value_error,volume +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.50728387, -0.52285382, -0.53743644, -0.55136448, -0.56405278, -0.57560383, -0.58603757, -0.59549544, -0.6039656800000001, -0.6115254, -0.61826336]",LDA,37.543615069461204,0.166701025056767,6.0,1.0,110.94123260846797,110.94123260846797,B,bcc,79.1949643933,9.0325802981,"[19.2883078009, 19.4913426199, 19.6943774388, 19.8974122578, 20.1004470767, 20.3034818957, 20.5065167146, 20.7095515336, 20.9125863526, 21.1156211715, 21.3186559905]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5572554, -0.57289409, -0.58721271, -0.60029749, -0.61222494, -0.62305656, -0.63285735, -0.6416864, -0.64960194, -0.65665588, -0.6628988]",LDA,37.543615069461204,0.166701025056767,38.0,1.0,7.907373633962093,7.907373633962093,B,bcc,40.5123289887,0.1139599978,"[19.3526796681, 19.5563920857, 19.7601045033, 19.9638169208, 20.1675293384, 20.3712417559, 20.5749541735, 20.7786665911, 20.9823790086, 21.1860914262, 21.3898038437]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5572526, -0.5728915, -0.58721033, -0.60029743, -0.61222488, -0.6230565100000001, -0.63285729, -0.64168488, -0.64960188, -0.65665582, -0.66289874]",LDA,37.543615069461204,0.166701025056767,38.0,1.0,7.83146690082712,7.83146690082712,B,bcc,40.483830857,0.1215010921,"[19.3526626731, 19.5563749118, 19.7600871505, 19.9637993891, 20.1675116278, 20.3712238665, 20.5749361051, 20.7786483438, 20.9823605825, 21.1860728211, 21.3897850598]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988485, -0.61183927, -0.62269743, -0.63251385, -0.6413606, -0.64930287, -0.6564000600000001, -0.66268497]",LDA,37.543615069461204,0.166701025056767,28.0,1.0,1.8405350682408648,1.8405350682408648,B,bcc,38.2346184707,0.390285904,"[19.3416025559, 19.5451983722, 19.7487941886, 19.952390005, 20.1559858214, 20.3595816378, 20.5631774541, 20.7667732705, 20.9703690869, 21.1739649033, 21.3775607196]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.50728386, -0.52285382, -0.53743644, -0.55136448, -0.56405277, -0.57560384, -0.58603759, -0.59549546, -0.60396569, -0.6115253900000001, -0.61826336]",LDA,37.543615069461204,0.166701025056767,6.0,1.0,111.1898858290683,111.1898858290683,B,bcc,79.2883178013,9.232236245900001,"[19.2883094087, 19.4913442446, 19.6943790805, 19.8974139164, 20.1004487522, 20.3034835881, 20.506518424, 20.7095532599, 20.9125880958, 21.1156229316, 21.3186577675]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.4064535931248777,0.4064535931248777,B,bcc,37.6962124419,0.0629871805,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.2644657193440235,-0.2644657193440235,B,bcc,37.4443250778,0.0641717076,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55752333, -0.57314741, -0.58745604, -0.60052753, -0.61243612, -0.62324222, -0.63301658, -0.64182072, -0.64971458, -0.6567525200000001, -0.66298492]",LDA,37.543615069461204,0.166701025056767,42.0,1.0,5.30930060264812,5.30930060264812,B,bcc,39.5369184506,0.2713852677,"[19.3561150484, 19.5598636279, 19.7636122073, 19.9673607868, 20.1711093663, 20.3748579457, 20.5786065252, 20.7823551046, 20.9861036841, 21.1898522635, 21.393600843]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568904, -0.6259543, -0.63519801, -0.64348629, -0.65088979, -0.65768304]",LDA,37.543615069461204,0.166701025056767,14.0,1.0,6.9652724582410075,-6.9652724582410075,B,bcc,34.9285999892,2.9460352693000003,"[19.1995506945, 19.4016512281, 19.6037517618, 19.8058522954, 20.007952829, 20.2100533626, 20.4121538963, 20.6142544299, 20.8163549635, 21.0184554972, 21.2205560308]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55865016, -0.57419423, -0.58843031, -0.60143337, -0.61327337, -0.6240233900000001, -0.63374313, -0.64249514, -0.65034037, -0.65732983, -0.66351545]",LDA,37.543615069461204,0.166701025056767,60.0,1.0,5.831877353813429,5.831877353813429,B,bcc,39.7331126545,0.1996736543,"[19.3711467997, 19.5750536081, 19.7789604165, 19.9828672249, 20.1867740333, 20.3906808418, 20.5945876502, 20.7984944586, 21.002401267, 21.2063080754, 21.4102148838]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568903, -0.625956, -0.63519801, -0.64348629, -0.65088978, -0.65768304]",LDA,37.543615069461204,0.166701025056767,14.0,1.0,6.888678389058287,-6.888678389058287,B,bcc,34.9573561717,2.9570259053,"[19.1995546693, 19.4016552447, 19.6037558202, 19.8058563957, 20.0079569711, 20.2100575466, 20.4121581221, 20.6142586975, 20.816359273, 21.0184598485, 21.2205604239]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867603, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.6485263, -0.655697, -0.6620579600000001]",LDA,37.543615069461204,0.166701025056767,22.0,1.0,4.491848653202718,-4.491848653202718,B,bcc,35.8572127016,0.6289748391000001,"[19.3153670925, 19.5186867462, 19.7220063998, 19.9253260534, 20.128645707, 20.3319653606, 20.5352850142, 20.7386046678, 20.9419243214, 21.145243975, 21.3485636286]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55784244, -0.5734421, -0.58772692, -0.60077651, -0.6126652300000001, -0.6234586999999999, -0.63322572, -0.64202499, -0.6499141900000001, -0.65694639, -0.66316875]",LDA,37.543615069461204,0.166701025056767,44.0,1.0,5.78987102258821,5.78987102258821,B,bcc,39.7173419592,0.0702580309,"[19.3604962997, 19.5642909976, 19.7680856955, 19.9718803934, 20.1756750912, 20.3794697891, 20.583264487, 20.7870591849, 20.9908538828, 21.1946485807, 21.3984432786]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55695913, -0.57263327, -0.58699504, -0.60011868, -0.61207978, -0.62292686, -0.63274213, -0.64158191, -0.64950445, -0.65657843, -0.66284793]",LDA,37.543615069461204,0.166701025056767,34.0,1.0,5.554084978446702,5.554084978446702,B,bcc,39.6288193544,0.5270879964,"[19.3474536941, 19.5511111014, 19.7547685087, 19.958425916, 20.1620833233, 20.3657407306, 20.5693981379, 20.773055545200002, 20.9767129525, 21.1803703598, 21.3840277671]" +14,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55827058, -0.57384112, -0.58810054, -0.6011278800000001, -0.61299498, -0.62376844, -0.63350847, -0.64228177, -0.65014604, -0.65715439, -0.66335854]",LDA,37.543615069461204,0.166701025056767,54.0,1.0,6.206548348174916,6.206548348174916,B,bcc,39.8737776904,0.2432235833,"[19.3663093483, 19.5701652362, 19.7740211241, 19.9778770119, 20.1817328998, 20.3855887877, 20.5894446756, 20.7933005634, 20.9971564513, 21.2010123392, 21.4048682271]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55827598, -0.5738461, -0.58810512, -0.60113208, -0.61299882, -0.62377194, -0.63351325, -0.64228463, -0.6501486, -0.65715668, -0.66336056]",LDA,37.543615069461204,0.166701025056767,54.0,1.0,6.276191423706207,6.276191423706207,B,bcc,39.8999242186,0.25021701700000004,"[19.3663812429, 19.5702378875, 19.7740945322, 19.9779511768, 20.1818078215, 20.3856644662, 20.5895211108, 20.7933777555, 20.9972344001, 21.2010910448, 21.4049476895]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55871817, -0.5742529, -0.58847991, -0.60147463, -0.61330966, -0.6240536600000001, -0.6337722, -0.64252377, -0.65036792, -0.65736008, -0.66354696]",LDA,37.543615069461204,0.166701025056767,62.0,1.0,5.459307098015718,5.459307098015718,B,bcc,39.5932363118,0.16254579430000002,"[19.3719352848, 19.5758503931, 19.7797655014, 19.9836806096, 20.1875957179, 20.3915108261, 20.5954259344, 20.7993410427, 21.0032561509, 21.2071712592, 21.4110863674]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55886055, -0.57438727, -0.58860446, -0.60158855, -0.61341569, -0.6241538999999999, -0.63386378, -0.64260814, -0.65044553, -0.65742966, -0.66361168]",LDA,37.543615069461204,0.166701025056767,68.0,1.0,5.470904802424161,5.470904802424161,B,bcc,39.5975905093,0.1615243715,"[19.3738589992, 19.5777943571, 19.781729715, 19.9856650729, 20.1896004308, 20.3935357887, 20.5974711465, 20.8014065044, 21.0053418623, 21.2092772202, 21.4132125781]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530661, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.64421757, -0.65108373]",LDA,37.543615069461204,0.166701025056767,8.0,1.0,34.61197029960195,34.61197029960195,B,bcc,50.5381999667,0.8142584345,"[18.9903904266, 19.1902892732, 19.3901881198, 19.5900869664, 19.789985813, 19.9898846596, 20.1897835061, 20.3896823527, 20.5895811993, 20.7894800459, 20.9893788925]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55826007, -0.57383568, -0.58810242, -0.60113486, -0.61300491, -0.62377534, -0.6335206999999999, -0.64229488, -0.65016047, -0.65716943, -0.66337623]",LDA,37.543615069461204,0.166701025056767,52.0,1.0,5.703474411500044,5.703474411500044,B,bcc,39.6849055481,0.25062082010000003,"[19.3661801179, 19.5700346454, 19.773889173, 19.9777437005, 20.1815982281, 20.3854527556, 20.5893072832, 20.7931618108, 20.9970163383, 21.2008708659, 21.4047253934]" +20,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586994, -0.57423659, -0.58846761, -0.60146822, -0.61331145, -0.62406242, -0.63378355, -0.64253885, -0.65038513, -0.65737632, -0.66356384]",LDA,37.543615069461204,0.166701025056767,64.0,1.0,6.666947971866468,6.666947971866468,B,bcc,40.0466283529,0.2239491024,"[19.3719886465, 19.5759043165, 19.7798199865, 19.9837356564, 20.1876513264, 20.3915669964, 20.5954826663, 20.7993983363, 21.0033140063, 21.2072296762, 21.4111453462]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55858514, -0.57413308, -0.5883673700000001, -0.60137166, -0.6132158, -0.6239669999999999, -0.63368895, -0.64244533, -0.6502968100000001, -0.65729481, -0.66348693]",LDA,37.543615069461204,0.166701025056767,56.0,1.0,5.036834963655325,5.036834963655325,B,bcc,39.434624999899995,0.1941351308,"[19.3701351226, 19.5740312818, 19.777927441, 19.9818236002, 20.1857197593, 20.3896159185, 20.5935120777, 20.7974082369, 21.0013043961, 21.2052005553, 21.4090967145]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55746941, -0.57311599, -0.5874383400000001, -0.6005198900000001, -0.61243523, -0.62325852, -0.6330469200000001, -0.64186406, -0.64976682, -0.65681409, -0.6630613]",LDA,37.543615069461204,0.166701025056767,40.0,1.0,4.747795696394496,4.747795696394496,B,bcc,39.32610921,0.2055276399,"[19.3552560503, 19.5589955876, 19.762735125, 19.9664746624, 20.1702141998, 20.3739537371, 20.5776932745, 20.7814328119, 20.9851723492, 21.1889118866, 21.392651424]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853908, -0.59862238, -0.61065879, -0.62160668, -0.6315092800000001, -0.64043231, -0.64842911, -0.65555513, -0.66187264]",LDA,37.543615069461204,0.166701025056767,26.0,1.0,6.8515419894425085,6.8515419894425085,B,bcc,40.1159316203,0.2770637854,"[19.3222978799, 19.5256904892, 19.7290830984, 19.9324757077, 20.135868317, 20.3392609262, 20.5426535355, 20.7460461447, 20.949438754, 21.1528313633, 21.3562239725]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55290004, -0.56898801, -0.5836431, -0.59700471, -0.60923959, -0.62037921, -0.6304998900000001, -0.63961618, -0.6478014, -0.6551081400000001, -0.66158933]",LDA,37.543615069461204,0.166701025056767,16.0,1.0,4.977269998857406,4.977269998857406,B,bcc,39.412262158800004,1.9484287058,"[19.2650373209, 19.4678271874, 19.670617054, 19.8734069205, 20.076196787, 20.2789866536, 20.4817765201, 20.6845663866, 20.8873562532, 21.0901461197, 21.2929359863]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55625163, -0.57195411, -0.58634418, -0.59949505, -0.6114807800000001, -0.6223678500000001, -0.63221881, -0.64109309, -0.64904789, -0.65613654, -0.66241867]",LDA,37.543615069461204,0.166701025056767,32.0,1.0,9.05898180275479,9.05898180275479,B,bcc,40.9446843267,0.2290926721,"[19.3393241806, 19.542896014, 19.7464678475, 19.950039681, 20.1536115145, 20.357183348, 20.5607551814, 20.7643270149, 20.9678988484, 21.1714706819, 21.3750425154]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55784512, -0.57344709, -0.58773151, -0.60078072, -0.61266907, -0.6234622, -0.63322889, -0.6420278500000001, -0.64991676, -0.6569486800000001, -0.6631697400000001]",LDA,37.543615069461204,0.166701025056767,44.0,1.0,5.689545773327293,5.689545773327293,B,bcc,39.6796762338,0.050204017000000004,"[19.3605579314, 19.5643532781, 19.7681486247, 19.9719439713, 20.175739318, 20.3795346646, 20.5833300113, 20.7871253579, 20.9909207046, 21.1947160512, 21.3985113979]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.4064535931248777,0.4064535931248777,B,bcc,37.6962124419,0.0629871805,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55161014, -0.56767593, -0.58240402, -0.59586105, -0.60812647, -0.61927153, -0.62939395, -0.63843373, -0.64658031, -0.65384319, -0.6602977600000001]",LDA,37.543615069461204,0.166701025056767,20.0,1.0,11.344574997795805,11.344574997795805,B,bcc,41.8027786379,1.0825637399,"[19.2751567185, 19.478053105, 19.6809494916, 19.8838458781, 20.0867422646, 20.2896386511, 20.4925350376, 20.6954314241, 20.8983278106, 21.1012241971, 21.3041205836]" +29,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970042, -0.59250494, -0.6041692200000001, -0.61476823, -0.62477215, -0.63362942, -0.64160737, -0.6487573600000001]",LDA,37.543615069461204,0.166701025056767,12.0,1.0,26.31364659419033,-26.31364659419033,B,bcc,27.664520881399998,5.9330130626,"[19.1021406511, 19.3032158158, 19.5042909805, 19.7053661453, 19.90644131, 20.1075164748, 20.3085916395, 20.5096668043, 20.710741969, 20.9118171338, 21.1128922985]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55871822, -0.57425546, -0.58848257, -0.60147468, -0.61330971, -0.62405548, -0.63377225, -0.64252527, -0.65036927, -0.6573612999999999, -0.66354804]",LDA,37.543615069461204,0.166701025056767,62.0,1.0,5.344700051463622,5.344700051463622,B,bcc,39.5502086834,0.1265117087,"[19.3719615211, 19.5758769055, 19.7797922899, 19.9837076744, 20.1876230588, 20.3915384432, 20.5954538277, 20.7993692121, 21.0032845965, 21.207199981, 21.4111153654]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888791, -0.5744124700000001, -0.58862759, -0.60161184, -0.61343717, -0.62417355, -0.63388149, -0.64262429, -0.65045987, -0.65744251, -0.6636230200000001]",LDA,37.543615069461204,0.166701025056767,68.0,1.0,5.499763275109744,5.499763275109744,B,bcc,39.6084250232,0.17773341190000005,"[19.3742264375, 19.5781656632, 19.7821048888, 19.9860441145, 20.1899833402, 20.3939225658, 20.5978617915, 20.8018010171, 21.0057402428, 21.2096794684, 21.4136186941]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5536133, -0.56948632, -0.58401674, -0.59728771, -0.60937977, -0.6203644500000001, -0.6303092, -0.63928526, -0.6473498999999999, -0.65453517, -0.66090884]",LDA,37.543615069461204,0.166701025056767,24.0,1.0,2.468141842559354,2.468141842559354,B,bcc,38.470244742199995,0.2659242778,"[19.304268511, 19.5074713374, 19.7106741638, 19.9138769902, 20.1170798167, 20.3202826431, 20.5234854695, 20.726688296, 20.9298911224, 21.1330939488, 21.3362967753]" +33,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867604, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.64852631, -0.655697, -0.66205795]",LDA,37.543615069461204,0.166701025056767,22.0,1.0,4.490975174984404,-4.490975174984404,B,bcc,35.8575406369,0.6290633573000001,"[19.3153659769, 19.5186856188, 19.7220052606, 19.9253249025, 20.1286445444, 20.3319641862, 20.5352838281, 20.73860347, 20.9419231118, 21.1452427537, 21.3485623955]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5516157700000001, -0.56768113, -0.58240881, -0.59586545, -0.60812848, -0.61927522, -0.6293972999999999, -0.63843675, -0.6465830300000001, -0.65384562, -0.66029992]",LDA,37.543615069461204,0.166701025056767,20.0,1.0,11.391871516437261,11.391871516437261,B,bcc,41.8205354608,1.0872715331,"[19.2752153047, 19.4781123079, 19.6810093111, 19.8839063143, 20.0868033175, 20.2897003207, 20.4925973239, 20.6954943272, 20.8983913304, 21.1012883336, 21.3041853368]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55800539, -0.57360672, -0.5878941999999999, -0.60094145, -0.61282561, -0.62361381, -0.63337199, -0.64216238, -0.65004088, -0.6570613, -0.66327968]",LDA,37.543615069461204,0.166701025056767,46.0,1.0,5.261259046802669,5.261259046802669,B,bcc,39.5188819138,0.15232433010000002,"[19.3626369691, 19.5664542004, 19.7702714316, 19.9740886629, 20.1779058941, 20.3817231254, 20.5855403566, 20.7893575879, 20.9931748191, 21.1969920504, 21.4008092816]" +36,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800806, -0.57360919, -0.58789647, -0.60094566, -0.61282945, -0.62361731, -0.63337517, -0.64216379, -0.65004213, -0.65706242, -0.6632817]",LDA,37.543615069461204,0.166701025056767,46.0,1.0,5.115108294674827,5.115108294674827,B,bcc,39.464011638,0.19191370670000002,"[19.3626865391, 19.5665042922, 19.7703220452, 19.9741397983, 20.1779575513, 20.3817753044, 20.5855930574, 20.7894108105, 20.9932285635, 21.1970463165, 21.4008640696]" +37,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55289724, -0.56898541, -0.58364072, -0.59700471, -0.6092375800000001, -0.62037921, -0.6304982100000001, -0.63961618, -0.64780004, -0.65510691, -0.66158933]",LDA,37.543615069461204,0.166701025056767,16.0,1.0,4.8868879175441755,4.8868879175441755,B,bcc,39.3783294581,1.9251100498,"[19.2650121239, 19.4678017252, 19.6705913265, 19.8733809278, 20.0761705291, 20.2789601304, 20.4817497317, 20.684539333, 20.8873289343, 21.0901185356, 21.2929081369]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55682127, -0.57249259, -0.58683394, -0.5999405600000001, -0.61188225, -0.62272597, -0.63253187, -0.64136888, -0.64928883, -0.65635626, -0.66261806]",LDA,37.543615069461204,0.166701025056767,36.0,1.0,5.144132017296734,5.144132017296734,B,bcc,39.4749081927,0.2596919862,"[19.3463868571, 19.5500330346, 19.753679212, 19.9573253895, 20.1609715669, 20.3646177444, 20.5682639218, 20.7719100992, 20.9755562767, 21.1792024541, 21.3828486316]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,37.543615069461204,0.166701025056767,68.0,1.0,0.2644657193440235,-0.2644657193440235,B,bcc,37.4443250778,0.0641717076,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +40,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55695913, -0.57263328, -0.58699738, -0.60012083, -0.61207978, -0.62292692, -0.63274381, -0.6415819700000001, -0.6495044999999999, -0.6565796700000001, -0.66284799]",LDA,37.543615069461204,0.166701025056767,34.0,1.0,5.390846496785804,5.390846496785804,B,bcc,39.5675337272,0.5068373783,"[19.347475056, 19.5511326882, 19.7547903204, 19.9584479526, 20.1621055847, 20.3657632169, 20.5694208491, 20.7730784812, 20.9767361134, 21.1803937456, 21.3840513777]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55231706, -0.56900401, -0.58428766, -0.5982723600000001, -0.61101413, -0.62258533, -0.63306236, -0.64250856, -0.65097941, -0.65941956, -0.66618624]",LDA,37.543615069461204,0.166701025056767,10.0,1.0,60.84125175692362,-60.84125175692362,B,bcc,14.701609706400001,10.6163173249,"[19.1536946328, 19.355312471, 19.5569303092, 19.7585481475, 19.9601659857, 20.161783824, 20.3634016622, 20.5650195004, 20.7666373387, 20.9682551769, 21.1698730152]" +42,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55862334, -0.57416847, -0.58839983, -0.6014014, -0.6132430999999999, -0.62399176, -0.63371162, -0.64246576, -0.65031638, -0.6573110999999999, -0.66350136]",LDA,37.543615069461204,0.166701025056767,56.0,1.0,5.1013204138582715,5.1013204138582715,B,bcc,39.4588351691,0.1841685938,"[19.3706128638, 19.5745140518, 19.7784152398, 19.9823164279, 20.1862176159, 20.390118804, 20.594019992, 20.79792118, 21.0018223681, 21.2057235561, 21.4096247442]" +43,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55875157, -0.57428804, -0.58851482, -0.60150731, -0.6133431500000001, -0.62408604, -0.63380406, -0.64255233, -0.65039296, -0.6573796, -0.6635631200000001]",LDA,37.543615069461204,0.166701025056767,66.0,1.0,5.901534301743505,5.901534301743505,B,bcc,39.7592643909,0.16607163290000002,"[19.3725054915, 19.5764266019, 19.7803477124, 19.9842688228, 20.1881899333, 20.3921110437, 20.5960321541, 20.7999532646, 21.003874375, 21.2077954854, 21.4117165959]" +44,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55872943, -0.5742642, -0.58849314, -0.60149171, -0.61333278, -0.62408188, -0.63380129, -0.6425550999999999, -0.65039944, -0.65738915, -0.66357516]",LDA,37.543615069461204,0.166701025056767,64.0,1.0,6.676064817150716,6.676064817150716,B,bcc,40.0500511462,0.2226638333,"[19.3723580497, 19.5762776081, 19.7801971665, 19.9841167249, 20.1880362834, 20.3919558418, 20.5958754002, 20.7997949586, 21.003714517, 21.2076340754, 21.4115536339]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55752338, -0.57314746, -0.5874560999999999, -0.6005275800000001, -0.61243618, -0.62324228, -0.63301825, -0.64182077, -0.64971463, -0.65675258, -0.66298497]",LDA,37.543615069461204,0.166701025056767,42.0,1.0,5.379873401647315,5.379873401647315,B,bcc,39.5634140306,0.27797890540000003,"[19.3561221653, 19.5598708196, 19.763619474, 19.9673681284, 20.1711167827, 20.3748654371, 20.5786140915, 20.7823627459, 20.9861114002, 21.1898600546, 21.393608709]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55822847, -0.57380259, -0.5880664, -0.60109417, -0.61296123, -0.62373466, -0.63347763, -0.64225459, -0.65012448, -0.65713771, -0.66334443]",LDA,37.543615069461204,0.166701025056767,50.0,1.0,5.41090799775224,5.41090799775224,B,bcc,39.575065539899995,0.1616768197,"[19.3656070629, 19.5694555583, 19.7733040537, 19.9771525491, 20.1810010445, 20.3848495399, 20.5886980353, 20.7925465307, 20.9963950261, 21.2002435215, 21.4040920169]" +47,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530662, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.6442175800000001, -0.65108373]",LDA,37.543615069461204,0.166701025056767,8.0,1.0,34.611793716180586,34.611793716180586,B,bcc,50.5381336709,0.8142352414,"[18.9903919935, 19.1902908566, 19.3901897197, 19.590088582699998, 19.7899874458, 19.9898863089, 20.189785172, 20.3896840351, 20.5895828982, 20.7894817613, 20.9893806244]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55802179, -0.57361291, -0.58789134, -0.60093523, -0.61281099, -0.62358819, -0.63333847, -0.64211918, -0.64999353, -0.6570089100000001, -0.6632207]",LDA,37.543615069461204,0.166701025056767,48.0,1.0,4.824761159220983,4.824761159220983,B,bcc,39.355004827100004,0.2215118554,"[19.362860139, 19.5666797194, 19.7704992998, 19.9743188802, 20.1781384606, 20.381958041, 20.5857776214, 20.7895972019, 20.9934167823, 21.1972363627, 21.4010559431]" +49,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55681853, -0.57249006, -0.58683162, -0.5999382600000001, -0.61188231, -0.62272424, -0.63253193, -0.64136894, -0.64928757, -0.65635632, -0.66261707]",LDA,37.543615069461204,0.166701025056767,36.0,1.0,5.275368496279488,5.275368496279488,B,bcc,39.5241791112,0.2731082454,"[19.3463729099, 19.5500189406, 19.7536649712, 19.9573110018, 20.1609570325, 20.3646030631, 20.5682490937, 20.7718951244, 20.975541155, 21.1791871856, 21.3828332163]" +50,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888015, -0.57440472, -0.58862007, -0.60160784, -0.61343872, -0.62417912, -0.63389109, -0.64263439, -0.65047119, -0.6574535, -0.66363291]",LDA,37.543615069461204,0.166701025056767,70.0,1.0,6.675443562112893,6.675443562112893,B,bcc,40.0498179046,0.2279664501,"[19.3742544761, 19.5781939969, 19.7821335177, 19.9860730385, 20.1900125593, 20.3939520801, 20.5978916009, 20.8018311217, 21.0057706425, 21.2097101633, 21.4136496841]" +51,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55820895, -0.57378492, -0.5880478100000001, -0.6010770999999999, -0.6129456, -0.6237200900000001, -0.63346469, -0.64224288, -0.65011394, -0.6571283, -0.66333551]",LDA,37.543615069461204,0.166701025056767,50.0,1.0,5.551815667410936,5.551815667410936,B,bcc,39.627967373000004,0.1504356122,"[19.3653389173, 19.5691845901, 19.7730302629, 19.9768759358, 20.1807216086, 20.3845672814, 20.5884129542, 20.792258627, 20.9961042998, 21.1999499726, 21.4037956455]" +52,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55231706, -0.56900402, -0.58428768, -0.59827238, -0.61101415, -0.62258727, -0.63306235, -0.64251013, -0.6509808300000001, -0.65941528, -0.66618625]",LDA,37.543615069461204,0.166701025056767,10.0,1.0,60.65526547224962,-60.65526547224962,B,bcc,14.771435681199998,10.5246764333,"[19.1536999506, 19.3553178448, 19.5569357391, 19.7585536333, 19.960171527500002, 20.1617894217, 20.3634073159, 20.5650252101, 20.7666431044, 20.9682609986, 21.1698788928]" +53,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55861804, -0.57416427, -0.58840263, -0.60140891, -0.61325661, -0.6240103100000001, -0.63373724, -0.6424961100000001, -0.65034538, -0.65733957, -0.6635302200000001]",LDA,37.543615069461204,0.166701025056767,58.0,1.0,6.3913039977618515,6.3913039977618515,B,bcc,39.9431416403,0.19594152350000002,"[19.3709411095, 19.5748457527, 19.778750396, 19.9826550392, 20.1865596825, 20.3904643258, 20.594368969, 20.7982736123, 21.0021782555, 21.2060828988, 21.4099875421]" +54,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55360774, -0.56947799, -0.58400933, -0.5972812, -0.60937381, -0.62035902, -0.6303042600000001, -0.63928228, -0.64734587, -0.65453071, -0.66090556]",LDA,37.543615069461204,0.166701025056767,24.0,1.0,2.7833116142531136,2.7833116142531136,B,bcc,38.5885708681,0.2504407804,"[19.3041731932, 19.5073750163, 19.7105768394, 19.9137786624, 20.1169804855, 20.3201823086, 20.5233841317, 20.7265859548, 20.9297877779, 21.132989601, 21.3361914241]" +55,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853884500000001, -0.59862238, -0.61065879, -0.62160488, -0.63150764, -0.64043231, -0.64842911, -0.65555513, -0.66187158]",LDA,37.543615069461204,0.166701025056767,26.0,1.0,6.97731257416812,6.97731257416812,B,bcc,40.1631504445,0.2705946382,"[19.3222835076, 19.5256759656, 19.7290684235, 19.9324608815, 20.1358533395, 20.3392457975, 20.5426382554, 20.7460307134, 20.9494231714, 21.1528156294, 21.3562080873]" +56,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55560084, -0.57136215, -0.58579664, -0.59898151, -0.6109827, -0.62188391, -0.63175182, -0.64064426, -0.64861669, -0.65571607, -0.66201921]",LDA,37.543615069461204,0.166701025056767,30.0,1.0,5.017706715385392,5.017706715385392,B,bcc,39.427443564,0.2211296365,"[19.3299474074, 19.533420538, 19.7368936686, 19.9403667992, 20.1438399298, 20.3473130604, 20.550786191, 20.7542593216, 20.9577324522, 21.1612055828, 21.3646787134]" +57,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586092500000001, -0.57415889, -0.5883978400000001, -0.6014014, -0.61324609, -0.62399838, -0.63372044, -0.64247466, -0.65032046, -0.65731356, -0.66349985]",LDA,37.543615069461204,0.166701025056767,60.0,1.0,5.771483244567299,5.771483244567299,B,bcc,39.7104385226,0.1855509149,"[19.3706532384, 19.5745548514, 19.7784564644, 19.9823580775, 20.186259690500002, 20.3901613035, 20.5940629166, 20.7979645296, 21.0018661426, 21.2057677557, 21.4096693687]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988484, -0.61183926, -0.62269743, -0.63251384, -0.64136061, -0.64930281, -0.6564, -0.66268491]",LDA,37.543615069461204,0.166701025056767,28.0,1.0,1.8431002072084868,1.8431002072084868,B,bcc,38.2355815166,0.39042001530000003,"[19.3416022486, 19.5451980618, 19.7487938749, 19.952389688, 20.1559855012, 20.3595813143, 20.5631771275, 20.7667729406, 20.9703687538, 21.1739645669, 21.3775603801]" +59,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800536, -0.57359514, -0.5878750500000001, -0.60092019, -0.6127973, -0.6235757, -0.63332713, -0.64210892, -0.6499843, -0.65700066, -0.66321297]",LDA,37.543615069461204,0.166701025056767,48.0,1.0,5.048964634949842,5.048964634949842,B,bcc,39.439178917,0.2435635053,"[19.3626286515, 19.5664457952, 19.7702629389, 19.9740800826, 20.1778972263, 20.38171437, 20.5855315137, 20.7893486574, 20.9931658011, 21.1969829448, 21.4008000885]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5582574, -0.57383322, -0.58810016, -0.60113279, -0.6130030200000001, -0.62377362, -0.63351914, -0.64229347, -0.65015922, -0.65716831, -0.66337525]",LDA,37.543615069461204,0.166701025056767,52.0,1.0,5.703157690268535,5.703157690268535,B,bcc,39.6847866395,0.2506634211,"[19.3661427008, 19.5699968345, 19.7738509682, 19.9777051019, 20.1815592356, 20.3854133693, 20.589267503, 20.7931216367, 20.9969757704, 21.2008299041, 21.4046840378]" +61,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55045475, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485115, -0.65214121, -0.65862552]",LDA,37.543615069461204,0.166701025056767,18.0,1.0,0.48056975095495513,0.48056975095495513,B,bcc,37.7240383269,0.9133986839,"[19.2664133376, 19.4692176885, 19.6720220394, 19.8748263903, 20.0776307412, 20.2804350922, 20.4832394431, 20.686043794, 20.8888481449, 21.0916524958, 21.2944568468]" +62,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55560084, -0.57136214, -0.58579664, -0.5989815, -0.6109827, -0.62188391, -0.63175181, -0.64064426, -0.64861669, -0.65571601, -0.66201915]",LDA,37.543615069461204,0.166701025056767,30.0,1.0,5.0225625908694855,5.0225625908694855,B,bcc,39.4292666352,0.2216230419,"[19.3299465698, 19.5334196915, 19.7368928133, 19.9403659351, 20.1438390569, 20.3473121787, 20.5507853005, 20.7542584223, 20.9577315441, 21.1612046658, 21.3646777876]" +63,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55045474, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485251, -0.65214121, -0.65862552]",LDA,37.543615069461204,0.166701025056767,18.0,1.0,0.5477075578852751,0.5477075578852751,B,bcc,37.7492442867,0.8989066504000001,"[19.2664191474, 19.4692235594, 19.6720279715, 19.8748323836, 20.0776367957, 20.2804412077, 20.4832456198, 20.6860500319, 20.888854444, 21.0916588561, 21.2944632681]" +64,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970041, -0.59250494, -0.60416921, -0.61476822, -0.62477214, -0.6336309, -0.64160736, -0.64875735]",LDA,37.543615069461204,0.166701025056767,12.0,1.0,26.233047985228414,-26.233047985228414,B,bcc,27.6947805129,5.946804855599999,"[19.1021425961, 19.3032177813, 19.5042929665, 19.7053681517, 19.906443337, 20.1075185222, 20.3085937074, 20.5096688926, 20.7107440779, 20.9118192631, 21.1128944483]" +65,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5562488800000001, -0.5719541, -0.58634184, -0.5994929, -0.61147881, -0.62236556, -0.6322188, -0.6410930300000001, -0.64904783, -0.65613529, -0.66241755]",LDA,37.543615069461204,0.166701025056767,32.0,1.0,9.216253166982117,9.216253166982117,B,bcc,41.0037296823,0.2188929561,"[19.3393043248, 19.5428759492, 19.7464475737, 19.9500191982, 20.153590822600002, 20.3571624471, 20.5607340716, 20.7643056961, 20.9678773205, 21.171448945, 21.3750205695]" +66,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55746393, -0.57311099, -0.58743315, -0.60051568, -0.61243333, -0.62325501, -0.63304374, -0.64186119, -0.64976556, -0.65681297, -0.66305926]",LDA,37.543615069461204,0.166701025056767,40.0,1.0,4.8042398074924755,4.8042398074924755,B,bcc,39.3473003698,0.1820337344,"[19.3552010644, 19.5589400229, 19.7626789815, 19.9664179401, 20.1701568987, 20.3738958572, 20.5776348158, 20.7813737744, 20.985112733, 21.1888516915, 21.3925906501]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55784244, -0.5734421, -0.58772692, -0.60077651, -0.6126652300000001, -0.6234586999999999, -0.63322572, -0.64202499, -0.6499141900000001, -0.65694639, -0.66316875]",LDA,-0.690681178100829,0.000128905082313758,44.0,1.0,-0.15378975633151054,-0.15378975633151054,E0,bcc,-0.6896189812000001,3.04846e-05,"[19.3604962997, 19.5642909976, 19.7680856955, 19.9718803934, 20.1756750912, 20.3794697891, 20.583264487, 20.7870591849, 20.9908538828, 21.1946485807, 21.3984432786]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5572554, -0.57289409, -0.58721271, -0.60029749, -0.61222494, -0.62305656, -0.63285735, -0.6416864, -0.64960194, -0.65665588, -0.6628988]",LDA,-0.690681178100829,0.000128905082313758,38.0,1.0,-0.2126044472308715,-0.2126044472308715,E0,bcc,-0.6892127592,4.87353e-05,"[19.3526796681, 19.5563920857, 19.7601045033, 19.9638169208, 20.1675293384, 20.3712417559, 20.5749541735, 20.7786665911, 20.9823790086, 21.1860914262, 21.3898038437]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5572526, -0.5728915, -0.58721033, -0.60029743, -0.61222488, -0.6230565100000001, -0.63285729, -0.64168488, -0.64960188, -0.65665582, -0.66289874]",LDA,-0.690681178100829,0.000128905082313758,38.0,1.0,-0.21127759769588583,-0.21127759769588583,E0,bcc,-0.6892219234999999,5.1990900000000004e-05,"[19.3526626731, 19.5563749118, 19.7600871505, 19.9637993891, 20.1675116278, 20.3712238665, 20.5749361051, 20.7786483438, 20.9823605825, 21.1860728211, 21.3897850598]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988485, -0.61183927, -0.62269743, -0.63251385, -0.6413606, -0.64930287, -0.6564000600000001, -0.66268497]",LDA,-0.690681178100829,0.000128905082313758,28.0,1.0,-0.07629640383107592,-0.07629640383107592,E0,bcc,-0.6901542131999999,0.0001771705,"[19.3416025559, 19.5451983722, 19.7487941886, 19.952390005, 20.1559858214, 20.3595816378, 20.5631774541, 20.7667732705, 20.9703690869, 21.1739649033, 21.3775607196]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.50728386, -0.52285382, -0.53743644, -0.55136448, -0.56405277, -0.57560384, -0.58603759, -0.59549546, -0.60396569, -0.6115253900000001, -0.61826336]",LDA,-0.690681178100829,0.000128905082313758,6.0,1.0,-7.675322360252594,-7.675322360252594,E0,bcc,-0.6376691712,0.0022381271,"[19.2883094087, 19.4913442446, 19.6943790805, 19.8974139164, 20.1004487522, 20.3034835881, 20.506518424, 20.7095532599, 20.9125880958, 21.1156229316, 21.3186577675]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,-0.043293043202814026,-0.043293043202814026,E0,bcc,-0.6903821612000001,1.42401e-05,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,-0.03578994312666641,-0.03578994312666641,E0,bcc,-0.6904339837000001,1.17431e-05,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55752333, -0.57314741, -0.58745604, -0.60052753, -0.61243612, -0.62324222, -0.63301658, -0.64182072, -0.64971458, -0.6567525200000001, -0.66298492]",LDA,-0.690681178100829,0.000128905082313758,42.0,1.0,-0.1710121020058428,-0.1710121020058428,E0,bcc,-0.6895000297,0.0001181821,"[19.3561150484, 19.5598636279, 19.7636122073, 19.9673607868, 20.1711093663, 20.3748579457, 20.5786065252, 20.7823551046, 20.9861036841, 21.1898522635, 21.393600843]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568904, -0.6259543, -0.63519801, -0.64348629, -0.65088979, -0.65768304]",LDA,-0.690681178100829,0.000128905082313758,14.0,1.0,-0.19623392728838418,-0.19623392728838418,E0,bcc,-0.6893258273,0.0015358278,"[19.1995506945, 19.4016512281, 19.6037517618, 19.8058522954, 20.007952829, 20.2100533626, 20.4121538963, 20.6142544299, 20.8163549635, 21.0184554972, 21.2205560308]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55865016, -0.57419423, -0.58843031, -0.60143337, -0.61327337, -0.6240233900000001, -0.63374313, -0.64249514, -0.65034037, -0.65732983, -0.66351545]",LDA,-0.690681178100829,0.000128905082313758,60.0,1.0,-0.15503632280429808,-0.15503632280429808,E0,bcc,-0.6896103714,8.586000000000001e-05,"[19.3711467997, 19.5750536081, 19.7789604165, 19.9828672249, 20.1867740333, 20.3906808418, 20.5945876502, 20.7984944586, 21.002401267, 21.2063080754, 21.4102148838]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568903, -0.625956, -0.63519801, -0.64348629, -0.65088978, -0.65768304]",LDA,-0.690681178100829,0.000128905082313758,14.0,1.0,-0.19857898902070534,-0.19857898902070534,E0,bcc,-0.6893096304,0.0015403312,"[19.1995546693, 19.4016552447, 19.6037558202, 19.8058563957, 20.0079569711, 20.2100575466, 20.4121581221, 20.6142586975, 20.816359273, 21.0184598485, 21.2205604239]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867603, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.6485263, -0.655697, -0.6620579600000001]",LDA,-0.690681178100829,0.000128905082313758,22.0,1.0,-0.0819585095293415,0.0819585095293415,E0,bcc,-0.6912472501000001,0.0003076197,"[19.3153670925, 19.5186867462, 19.7220063998, 19.9253260534, 20.128645707, 20.3319653606, 20.5352850142, 20.7386046678, 20.9419243214, 21.145243975, 21.3485636286]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55695913, -0.57263327, -0.58699504, -0.60011868, -0.61207978, -0.62292686, -0.63274213, -0.64158191, -0.64950445, -0.65657843, -0.66284793]",LDA,-0.690681178100829,0.000128905082313758,34.0,1.0,-0.16275355930792057,-0.16275355930792057,E0,bcc,-0.6895570699,0.0002302768,"[19.3474536941, 19.5511111014, 19.7547685087, 19.958425916, 20.1620833233, 20.3657407306, 20.5693981379, 20.773055545200002, 20.9767129525, 21.1803703598, 21.3840277671]" +13,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55827058, -0.57384112, -0.58810054, -0.6011278800000001, -0.61299498, -0.62376844, -0.63350847, -0.64228177, -0.65014604, -0.65715439, -0.66335854]",LDA,-0.690681178100829,0.000128905082313758,54.0,1.0,-0.1647667457738238,-0.1647667457738238,E0,bcc,-0.6895431651999999,0.0001046119,"[19.3663093483, 19.5701652362, 19.7740211241, 19.9778770119, 20.1817328998, 20.3855887877, 20.5894446756, 20.7933005634, 20.9971564513, 21.2010123392, 21.4048682271]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55827598, -0.5738461, -0.58810512, -0.60113208, -0.61299882, -0.62377194, -0.63351325, -0.64228463, -0.6501486, -0.65715668, -0.66336056]",LDA,-0.690681178100829,0.000128905082313758,54.0,1.0,-0.16655516862238276,-0.16655516862238276,E0,bcc,-0.6895308129000001,0.0001075424,"[19.3663812429, 19.5702378875, 19.7740945322, 19.9779511768, 20.1818078215, 20.3856644662, 20.5895211108, 20.7933777555, 20.9972344001, 21.2010910448, 21.4049476895]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55871817, -0.5742529, -0.58847991, -0.60147463, -0.61330966, -0.6240536600000001, -0.6337722, -0.64252377, -0.65036792, -0.65736008, -0.66354696]",LDA,-0.690681178100829,0.000128905082313758,62.0,1.0,-0.13731952323311947,-0.13731952323311947,E0,bcc,-0.689732738,7.02084e-05,"[19.3719352848, 19.5758503931, 19.7797655014, 19.9836806096, 20.1875957179, 20.3915108261, 20.5954259344, 20.7993410427, 21.0032561509, 21.2071712592, 21.4110863674]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55886055, -0.57438727, -0.58860446, -0.60158855, -0.61341569, -0.6241538999999999, -0.63386378, -0.64260814, -0.65044553, -0.65742966, -0.66361168]",LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,-0.1356677191356893,-0.1356677191356893,E0,bcc,-0.6897441467000001,6.96734e-05,"[19.3738589992, 19.5777943571, 19.781729715, 19.9856650729, 20.1896004308, 20.3935357887, 20.5974711465, 20.8014065044, 21.0053418623, 21.2092772202, 21.4132125781]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530661, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.64421757, -0.65108373]",LDA,-0.690681178100829,0.000128905082313758,8.0,1.0,-1.798854854419552,-1.798854854419552,E0,bcc,-0.6782568262,0.0003095185,"[18.9903904266, 19.1902892732, 19.3901881198, 19.5900869664, 19.789985813, 19.9898846596, 20.1897835061, 20.3896823527, 20.5895811993, 20.7894800459, 20.9893788925]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55826007, -0.57383568, -0.58810242, -0.60113486, -0.61300491, -0.62377534, -0.6335206999999999, -0.64229488, -0.65016047, -0.65716943, -0.66337623]",LDA,-0.690681178100829,0.000128905082313758,52.0,1.0,-0.15137031874875798,-0.15137031874875798,E0,bcc,-0.6896356918000001,0.00010826620000000001,"[19.3661801179, 19.5700346454, 19.773889173, 19.9777437005, 20.1815982281, 20.3854527556, 20.5893072832, 20.7931618108, 20.9970163383, 21.2008708659, 21.4047253934]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586994, -0.57423659, -0.58846761, -0.60146822, -0.61331145, -0.62406242, -0.63378355, -0.64253885, -0.65038513, -0.65737632, -0.66356384]",LDA,-0.690681178100829,0.000128905082313758,64.0,1.0,-0.16126979222046026,-0.16126979222046026,E0,bcc,-0.6895673179999999,9.568370000000001e-05,"[19.3719886465, 19.5759043165, 19.7798199865, 19.9837356564, 20.1876513264, 20.3915669964, 20.5954826663, 20.7993983363, 21.0033140063, 21.2072296762, 21.4111453462]" +20,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55858514, -0.57413308, -0.5883673700000001, -0.60137166, -0.6132158, -0.6239669999999999, -0.63368895, -0.64244533, -0.6502968100000001, -0.65729481, -0.66348693]",LDA,-0.690681178100829,0.000128905082313758,56.0,1.0,-0.13180764579863663,-0.13180764579863663,E0,bcc,-0.6897708075,8.423480000000001e-05,"[19.3701351226, 19.5740312818, 19.777927441, 19.9818236002, 20.1857197593, 20.3896159185, 20.5935120777, 20.7974082369, 21.0013043961, 21.2052005553, 21.4090967145]" +21,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55746941, -0.57311599, -0.5874383400000001, -0.6005198900000001, -0.61243523, -0.62325852, -0.6330469200000001, -0.64186406, -0.64976682, -0.65681409, -0.6630613]",LDA,-0.690681178100829,0.000128905082313758,40.0,1.0,-0.13438961857643322,-0.13438961857643322,E0,bcc,-0.6897529743,9.0159e-05,"[19.3552560503, 19.5589955876, 19.762735125, 19.9664746624, 20.1702141998, 20.3739537371, 20.5776932745, 20.7814328119, 20.9851723492, 21.1889118866, 21.392651424]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853908, -0.59862238, -0.61065879, -0.62160668, -0.6315092800000001, -0.64043231, -0.64842911, -0.65555513, -0.66187264]",LDA,-0.690681178100829,0.000128905082313758,26.0,1.0,-0.2721335053601992,-0.2721335053601992,E0,bcc,-0.6888016032000001,0.0001207075,"[19.3222978799, 19.5256904892, 19.7290830984, 19.9324757077, 20.135868317, 20.3392609262, 20.5426535355, 20.7460461447, 20.949438754, 21.1528313633, 21.3562239725]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55290004, -0.56898801, -0.5836431, -0.59700471, -0.60923959, -0.62037921, -0.6304998900000001, -0.63961618, -0.6478014, -0.6551081400000001, -0.66158933]",LDA,-0.690681178100829,0.000128905082313758,16.0,1.0,-0.03028500087465057,-0.03028500087465057,E0,bcc,-0.6904720053000001,0.0008977064999999998,"[19.2650373209, 19.4678271874, 19.670617054, 19.8734069205, 20.076196787, 20.2789866536, 20.4817765201, 20.6845663866, 20.8873562532, 21.0901461197, 21.2929359863]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55784512, -0.57344709, -0.58773151, -0.60078072, -0.61266907, -0.6234622, -0.63322889, -0.6420278500000001, -0.64991676, -0.6569486800000001, -0.6631697400000001]",LDA,-0.690681178100829,0.000128905082313758,44.0,1.0,-0.1523399412333919,-0.1523399412333919,E0,bcc,-0.6896289948000001,2.17987e-05,"[19.3605579314, 19.5643532781, 19.7681486247, 19.9719439713, 20.175739318, 20.3795346646, 20.5833300113, 20.7871253579, 20.9909207046, 21.1947160512, 21.3985113979]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55625163, -0.57195411, -0.58634418, -0.59949505, -0.6114807800000001, -0.6223678500000001, -0.63221881, -0.64109309, -0.64904789, -0.65613654, -0.66241867]",LDA,-0.690681178100829,0.000128905082313758,32.0,1.0,-0.2705630557310679,-0.2705630557310679,E0,bcc,-0.68881245,9.75375e-05,"[19.3393241806, 19.542896014, 19.7464678475, 19.950039681, 20.1536115145, 20.357183348, 20.5607551814, 20.7643270149, 20.9678988484, 21.1714706819, 21.3750425154]" +26,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,-0.043293043202814026,-0.043293043202814026,E0,bcc,-0.6903821612000001,1.42401e-05,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970042, -0.59250494, -0.6041692200000001, -0.61476823, -0.62477215, -0.63362942, -0.64160737, -0.6487573600000001]",LDA,-0.690681178100829,0.000128905082313758,12.0,1.0,-0.11160396773668717,0.11160396773668717,E0,bcc,-0.6914520057,0.0043538312,"[19.1021406511, 19.3032158158, 19.5042909805, 19.7053661453, 19.90644131, 20.1075164748, 20.3085916395, 20.5096668043, 20.710741969, 20.9118171338, 21.1128922985]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55161014, -0.56767593, -0.58240402, -0.59586105, -0.60812647, -0.61927153, -0.62939395, -0.63843373, -0.64658031, -0.65384319, -0.6602977600000001]",LDA,-0.690681178100829,0.000128905082313758,20.0,1.0,-0.46723602772881084,-0.46723602772881084,E0,bcc,-0.6874540668000001,0.00046263040000000004,"[19.2751567185, 19.478053105, 19.6809494916, 19.8838458781, 20.0867422646, 20.2896386511, 20.4925350376, 20.6954314241, 20.8983278106, 21.1012241971, 21.3041205836]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55871822, -0.57425546, -0.58848257, -0.60147468, -0.61330971, -0.62405548, -0.63377225, -0.64252527, -0.65036927, -0.6573612999999999, -0.66354804]",LDA,-0.690681178100829,0.000128905082313758,62.0,1.0,-0.13444268213334426,-0.13444268213334426,E0,bcc,-0.6897526078,5.4702299999999986e-05,"[19.3719615211, 19.5758769055, 19.7797922899, 19.9837076744, 20.1876230588, 20.3915384432, 20.5954538277, 20.7993692121, 21.0032845965, 21.207199981, 21.4111153654]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888791, -0.5744124700000001, -0.58862759, -0.60161184, -0.61343717, -0.62417355, -0.63388149, -0.64262429, -0.65045987, -0.65744251, -0.6636230200000001]",LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,-0.1368497695894889,-0.1368497695894889,E0,bcc,-0.6897359825,7.661609999999999e-05,"[19.3742264375, 19.5781656632, 19.7821048888, 19.9860441145, 20.1899833402, 20.3939225658, 20.5978617915, 20.8018010171, 21.0057402428, 21.2096794684, 21.4136186941]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867604, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.64852631, -0.655697, -0.66205795]",LDA,-0.690681178100829,0.000128905082313758,22.0,1.0,-0.08193150720091222,0.08193150720091222,E0,bcc,-0.6912470636,0.0003076616,"[19.3153659769, 19.5186856188, 19.7220052606, 19.9253249025, 20.1286445444, 20.3319641862, 20.5352838281, 20.73860347, 20.9419231118, 21.1452427537, 21.3485623955]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5536133, -0.56948632, -0.58401674, -0.59728771, -0.60937977, -0.6203644500000001, -0.6303092, -0.63928526, -0.6473498999999999, -0.65453517, -0.66090884]",LDA,-0.690681178100829,0.000128905082313758,24.0,1.0,-0.2338947045395048,-0.2338947045395048,E0,bcc,-0.6890657114000001,0.0001221104,"[19.304268511, 19.5074713374, 19.7106741638, 19.9138769902, 20.1170798167, 20.3202826431, 20.5234854695, 20.726688296, 20.9298911224, 21.1330939488, 21.3362967753]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5516157700000001, -0.56768113, -0.58240881, -0.59586545, -0.60812848, -0.61927522, -0.6293972999999999, -0.63843675, -0.6465830300000001, -0.65384562, -0.66029992]",LDA,-0.690681178100829,0.000128905082313758,20.0,1.0,-0.468000432517514,-0.468000432517514,E0,bcc,-0.6874487872,0.0004644543,"[19.2752153047, 19.4781123079, 19.6810093111, 19.8839063143, 20.0868033175, 20.2897003207, 20.4925973239, 20.6954943272, 20.8983913304, 21.1012883336, 21.3041853368]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55800539, -0.57360672, -0.5878941999999999, -0.60094145, -0.61282561, -0.62361381, -0.63337199, -0.64216238, -0.65004088, -0.6570613, -0.66327968]",LDA,-0.690681178100829,0.000128905082313758,46.0,1.0,-0.1426101263592159,-0.1426101263592159,E0,bcc,-0.6896961968,6.62016e-05,"[19.3626369691, 19.5664542004, 19.7702714316, 19.9740886629, 20.1779058941, 20.3817231254, 20.5855403566, 20.7893575879, 20.9931748191, 21.1969920504, 21.4008092816]" +35,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800806, -0.57360919, -0.58789647, -0.60094566, -0.61282945, -0.62361731, -0.63337517, -0.64216379, -0.65004213, -0.65706242, -0.6632817]",LDA,-0.690681178100829,0.000128905082313758,46.0,1.0,-0.13992815085628604,-0.13992815085628604,E0,bcc,-0.6897147207000001,8.35044e-05,"[19.3626865391, 19.5665042922, 19.7703220452, 19.9741397983, 20.1779575513, 20.3817753044, 20.5855930574, 20.7894108105, 20.9932285635, 21.1970463165, 21.4008640696]" +36,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55289724, -0.56898541, -0.58364072, -0.59700471, -0.6092375800000001, -0.62037921, -0.6304982100000001, -0.63961618, -0.64780004, -0.65510691, -0.66158933]",LDA,-0.690681178100829,0.000128905082313758,16.0,1.0,-0.028340833228899808,-0.028340833228899808,E0,bcc,-0.6904854333,0.0008876483,"[19.2650121239, 19.4678017252, 19.6705913265, 19.8733809278, 20.0761705291, 20.2789601304, 20.4817497317, 20.684539333, 20.8873289343, 21.0901185356, 21.2929081369]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55682127, -0.57249259, -0.58683394, -0.5999405600000001, -0.61188225, -0.62272597, -0.63253187, -0.64136888, -0.64928883, -0.65635626, -0.66261806]",LDA,-0.690681178100829,0.000128905082313758,36.0,1.0,-0.18713449009612912,-0.18713449009612912,E0,bcc,-0.6893886754,0.0001138838,"[19.3463868571, 19.5500330346, 19.753679212, 19.9573253895, 20.1609715669, 20.3646177444, 20.5682639218, 20.7719100992, 20.9755562767, 21.1792024541, 21.3828486316]" +38,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,-0.690681178100829,0.000128905082313758,68.0,1.0,-0.03578994312666641,-0.03578994312666641,E0,bcc,-0.6904339837000001,1.17431e-05,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55695913, -0.57263328, -0.58699738, -0.60012083, -0.61207978, -0.62292692, -0.63274381, -0.6415819700000001, -0.6495044999999999, -0.6565796700000001, -0.66284799]",LDA,-0.690681178100829,0.000128905082313758,34.0,1.0,-0.15933806157205407,-0.15933806157205407,E0,bcc,-0.6895806601000001,0.0002217407,"[19.347475056, 19.5511326882, 19.7547903204, 19.9584479526, 20.1621055847, 20.3657632169, 20.5694208491, 20.7730784812, 20.9767361134, 21.1803937456, 21.3840513777]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55231706, -0.56900401, -0.58428766, -0.5982723600000001, -0.61101413, -0.62258533, -0.63306236, -0.64250856, -0.65097941, -0.65941956, -0.66618624]",LDA,-0.690681178100829,0.000128905082313758,10.0,1.0,-3.8369249430020504,3.8369249430020504,E0,bcc,-0.7171820965000001,0.0122104524,"[19.1536946328, 19.355312471, 19.5569303092, 19.7585481475, 19.9601659857, 20.161783824, 20.3634016622, 20.5650195004, 20.7666373387, 20.9682551769, 21.1698730152]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55862334, -0.57416847, -0.58839983, -0.6014014, -0.6132430999999999, -0.62399176, -0.63371162, -0.64246576, -0.65031638, -0.6573110999999999, -0.66350136]",LDA,-0.690681178100829,0.000128905082313758,56.0,1.0,-0.1333255530954217,-0.1333255530954217,E0,bcc,-0.6897603236000001,7.983440000000001e-05,"[19.3706128638, 19.5745140518, 19.7784152398, 19.9823164279, 20.1862176159, 20.390118804, 20.594019992, 20.79792118, 21.0018223681, 21.2057235561, 21.4096247442]" +42,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55875157, -0.57428804, -0.58851482, -0.60150731, -0.6133431500000001, -0.62408604, -0.63380406, -0.64255233, -0.65039296, -0.6573796, -0.6635631200000001]",LDA,-0.690681178100829,0.000128905082313758,66.0,1.0,-0.1509100050612364,-0.1509100050612364,E0,bcc,-0.6896388711,7.13618e-05,"[19.3725054915, 19.5764266019, 19.7803477124, 19.9842688228, 20.1881899333, 20.3921110437, 20.5960321541, 20.7999532646, 21.003874375, 21.2077954854, 21.4117165959]" +43,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55872943, -0.5742642, -0.58849314, -0.60149171, -0.61333278, -0.62408188, -0.63380129, -0.6425550999999999, -0.65039944, -0.65738915, -0.66357516]",LDA,-0.690681178100829,0.000128905082313758,64.0,1.0,-0.16155385961106397,-0.16155385961106397,E0,bcc,-0.6895653559999999,9.50994e-05,"[19.3723580497, 19.5762776081, 19.7801971665, 19.9841167249, 20.1880362834, 20.3919558418, 20.5958754002, 20.7997949586, 21.003714517, 21.2076340754, 21.4115536339]" +44,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55752338, -0.57314746, -0.5874560999999999, -0.6005275800000001, -0.61243618, -0.62324228, -0.63301825, -0.64182077, -0.64971463, -0.65675258, -0.66298497]",LDA,-0.690681178100829,0.000128905082313758,42.0,1.0,-0.17282415370159712,-0.17282415370159712,E0,bcc,-0.6894875142,0.0001209702,"[19.3561221653, 19.5598708196, 19.763619474, 19.9673681284, 20.1711167827, 20.3748654371, 20.5786140915, 20.7823627459, 20.9861114002, 21.1898600546, 21.393608709]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55822847, -0.57380259, -0.5880664, -0.60109417, -0.61296123, -0.62373466, -0.63347763, -0.64225459, -0.65012448, -0.65713771, -0.66334443]",LDA,-0.690681178100829,0.000128905082313758,50.0,1.0,-0.14316300084328434,-0.14316300084328434,E0,bcc,-0.6896923782000001,7.0113e-05,"[19.3656070629, 19.5694555583, 19.7733040537, 19.9771525491, 20.1810010445, 20.3848495399, 20.5886980353, 20.7925465307, 20.9963950261, 21.2002435215, 21.4040920169]" +46,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530662, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.6442175800000001, -0.65108373]",LDA,-0.690681178100829,0.000128905082313758,8.0,1.0,-1.7988512492829505,-1.7988512492829505,E0,bcc,-0.6782568511,0.0003095093,"[18.9903919935, 19.1902908566, 19.3901897197, 19.590088582699998, 19.7899874458, 19.9898863089, 20.189785172, 20.3896840351, 20.5895828982, 20.7894817613, 20.9893806244]" +47,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55802179, -0.57361291, -0.58789134, -0.60093523, -0.61281099, -0.62358819, -0.63333847, -0.64211918, -0.64999353, -0.6570089100000001, -0.6632207]",LDA,-0.690681178100829,0.000128905082313758,48.0,1.0,-0.14871732912331853,-0.14871732912331853,E0,bcc,-0.6896540154999999,9.65284e-05,"[19.362860139, 19.5666797194, 19.7704992998, 19.9743188802, 20.1781384606, 20.381958041, 20.5857776214, 20.7895972019, 20.9934167823, 21.1972363627, 21.4010559431]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55681853, -0.57249006, -0.58683162, -0.5999382600000001, -0.61188231, -0.62272424, -0.63253193, -0.64136894, -0.64928757, -0.65635632, -0.66261707]",LDA,-0.690681178100829,0.000128905082313758,36.0,1.0,-0.1905053073035703,-0.1905053073035703,E0,bcc,-0.6893653938000001,0.0001196182,"[19.3463729099, 19.5500189406, 19.7536649712, 19.9573110018, 20.1609570325, 20.3646030631, 20.5682490937, 20.7718951244, 20.975541155, 21.1791871856, 21.3828332163]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888015, -0.57440472, -0.58862007, -0.60160784, -0.61343872, -0.62417912, -0.63389109, -0.64263439, -0.65047119, -0.6574535, -0.66363291]",LDA,-0.690681178100829,0.000128905082313758,70.0,1.0,-0.16100030463933843,-0.16100030463933843,E0,bcc,-0.6895691793000001,9.723940000000001e-05,"[19.3742544761, 19.5781939969, 19.7821335177, 19.9860730385, 20.1900125593, 20.3939520801, 20.5978916009, 20.8018311217, 21.0057706425, 21.2097101633, 21.4136496841]" +50,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55820895, -0.57378492, -0.5880478100000001, -0.6010770999999999, -0.6129456, -0.6237200900000001, -0.63346469, -0.64224288, -0.65011394, -0.6571283, -0.66333551]",LDA,-0.690681178100829,0.000128905082313758,50.0,1.0,-0.14599807158518144,-0.14599807158518144,E0,bcc,-0.6896727968999999,6.51737e-05,"[19.3653389173, 19.5691845901, 19.7730302629, 19.9768759358, 20.1807216086, 20.3845672814, 20.5884129542, 20.792258627, 20.9961042998, 21.1999499726, 21.4037956455]" +51,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.50728387, -0.52285382, -0.53743644, -0.55136448, -0.56405278, -0.57560383, -0.58603757, -0.59549544, -0.6039656800000001, -0.6115254, -0.61826336]",LDA,-0.690681178100829,0.000128905082313758,6.0,1.0,-7.672354391723846,-7.672354391723846,E0,bcc,-0.6376896704,0.0022094328,"[19.2883078009, 19.4913426199, 19.6943774388, 19.8974122578, 20.1004470767, 20.3034818957, 20.5065167146, 20.7095515336, 20.9125863526, 21.1156211715, 21.3186559905]" +52,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55231706, -0.56900402, -0.58428768, -0.59827238, -0.61101415, -0.62258727, -0.63306235, -0.64251013, -0.6509808300000001, -0.65941528, -0.66618625]",LDA,-0.690681178100829,0.000128905082313758,10.0,1.0,-3.8237432604997936,3.8237432604997936,E0,bcc,-0.7170910531,0.0120602159,"[19.1536999506, 19.3553178448, 19.5569357391, 19.7585536333, 19.960171527500002, 20.1617894217, 20.3634073159, 20.5650252101, 20.7666431044, 20.9682609986, 21.1698788928]" +53,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853884500000001, -0.59862238, -0.61065879, -0.62160488, -0.63150764, -0.64043231, -0.64842911, -0.65555513, -0.66187158]",LDA,-0.690681178100829,0.000128905082313758,26.0,1.0,-0.2747940382634715,-0.2747940382634715,E0,bcc,-0.6887832274,0.0001177638,"[19.3222835076, 19.5256759656, 19.7290684235, 19.9324608815, 20.1358533395, 20.3392457975, 20.5426382554, 20.7460307134, 20.9494231714, 21.1528156294, 21.3562080873]" +54,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55861804, -0.57416427, -0.58840263, -0.60140891, -0.61325661, -0.6240103100000001, -0.63373724, -0.6424961100000001, -0.65034538, -0.65733957, -0.6635302200000001]",LDA,-0.690681178100829,0.000128905082313758,58.0,1.0,-0.15771108803400902,-0.15771108803400902,E0,bcc,-0.6895918973,8.395129999999999e-05,"[19.3709411095, 19.5748457527, 19.778750396, 19.9826550392, 20.1865596825, 20.3904643258, 20.594368969, 20.7982736123, 21.0021782555, 21.2060828988, 21.4099875421]" +55,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55360774, -0.56947799, -0.58400933, -0.5972812, -0.60937381, -0.62035902, -0.6303042600000001, -0.63928228, -0.64734587, -0.65453071, -0.66090556]",LDA,-0.690681178100829,0.000128905082313758,24.0,1.0,-0.24130349192542805,-0.24130349192542805,E0,bcc,-0.6890145403,0.0001146817,"[19.3041731932, 19.5073750163, 19.7105768394, 19.9137786624, 20.1169804855, 20.3201823086, 20.5233841317, 20.7265859548, 20.9297877779, 21.132989601, 21.3361914241]" +56,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55560084, -0.57136215, -0.58579664, -0.59898151, -0.6109827, -0.62188391, -0.63175182, -0.64064426, -0.64861669, -0.65571607, -0.66201921]",LDA,-0.690681178100829,0.000128905082313758,30.0,1.0,-0.23136408686029397,-0.23136408686029397,E0,bcc,-0.6890831899000001,9.76337e-05,"[19.3299474074, 19.533420538, 19.7368936686, 19.9403667992, 20.1438399298, 20.3473130604, 20.550786191, 20.7542593216, 20.9577324522, 21.1612055828, 21.3646787134]" +57,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586092500000001, -0.57415889, -0.5883978400000001, -0.6014014, -0.61324609, -0.62399838, -0.63372044, -0.64247466, -0.65032046, -0.65731356, -0.66349985]",LDA,-0.690681178100829,0.000128905082313758,60.0,1.0,-0.15420663463822923,-0.15420663463822923,E0,bcc,-0.6896161019,7.985180000000001e-05,"[19.3706532384, 19.5745548514, 19.7784564644, 19.9823580775, 20.186259690500002, 20.3901613035, 20.5940629166, 20.7979645296, 21.0018661426, 21.2057677557, 21.4096693687]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988484, -0.61183926, -0.62269743, -0.63251384, -0.64136061, -0.64930281, -0.6564, -0.66268491]",LDA,-0.690681178100829,0.000128905082313758,28.0,1.0,-0.07639006499059828,-0.07639006499059828,E0,bcc,-0.6901535662999999,0.0001772258,"[19.3416022486, 19.5451980618, 19.7487938749, 19.952389688, 20.1559855012, 20.3595813143, 20.5631771275, 20.7667729406, 20.9703687538, 21.1739645669, 21.3775603801]" +59,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800536, -0.57359514, -0.5878750500000001, -0.60092019, -0.6127973, -0.6235757, -0.63332713, -0.64210892, -0.6499843, -0.65700066, -0.66321297]",LDA,-0.690681178100829,0.000128905082313758,48.0,1.0,-0.15351528816007592,-0.15351528816007592,E0,bcc,-0.6896208769000001,0.0001059483,"[19.3626286515, 19.5664457952, 19.7702629389, 19.9740800826, 20.1778972263, 20.38171437, 20.5855315137, 20.7893486574, 20.9931658011, 21.1969829448, 21.4008000885]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5582574, -0.57383322, -0.58810016, -0.60113279, -0.6130030200000001, -0.62377362, -0.63351914, -0.64229347, -0.65015922, -0.65716831, -0.66337525]",LDA,-0.690681178100829,0.000128905082313758,52.0,1.0,-0.15135004890436723,-0.15135004890436723,E0,bcc,-0.6896358318000001,0.000108288,"[19.3661427008, 19.5699968345, 19.7738509682, 19.9777051019, 20.1815592356, 20.3854133693, 20.589267503, 20.7931216367, 20.9969757704, 21.2008299041, 21.4046840378]" +61,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55045474, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485251, -0.65214121, -0.65862552]",LDA,-0.690681178100829,0.000128905082313758,18.0,1.0,-0.41087534897537137,-0.41087534897537137,E0,bcc,-0.6878433394,0.0004274889,"[19.2664191474, 19.4692235594, 19.6720279715, 19.8748323836, 20.0776367957, 20.2804412077, 20.4832456198, 20.6860500319, 20.888854444, 21.0916588561, 21.2944632681]" +62,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55045475, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485115, -0.65214121, -0.65862552]",LDA,-0.690681178100829,0.000128905082313758,18.0,1.0,-0.40925012733100385,-0.40925012733100385,E0,bcc,-0.6878545645,0.0004346504,"[19.2664133376, 19.4692176885, 19.6720220394, 19.8748263903, 20.0776307412, 20.2804350922, 20.4832394431, 20.686043794, 20.8888481449, 21.0916524958, 21.2944568468]" +63,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55560084, -0.57136214, -0.58579664, -0.5989815, -0.6109827, -0.62188391, -0.63175181, -0.64064426, -0.64861669, -0.65571601, -0.66201915]",LDA,-0.690681178100829,0.000128905082313758,30.0,1.0,-0.23150756840163064,-0.23150756840163064,E0,bcc,-0.6890821989,9.78459e-05,"[19.3299465698, 19.5334196915, 19.7368928133, 19.9403659351, 20.1438390569, 20.3473121787, 20.5507853005, 20.7542584223, 20.9577315441, 21.1612046658, 21.3646777876]" +64,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970041, -0.59250494, -0.60416921, -0.61476822, -0.62477214, -0.6336309, -0.64160736, -0.64875735]",LDA,-0.690681178100829,0.000128905082313758,12.0,1.0,-0.1085307118448336,0.1085307118448336,E0,bcc,-0.6914307793000001,0.0043597953,"[19.1021425961, 19.3032177813, 19.5042929665, 19.7053681517, 19.906443337, 20.1075185222, 20.3085937074, 20.5096688926, 20.7107440779, 20.9118192631, 21.1128944483]" +65,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5562488800000001, -0.5719541, -0.58634184, -0.5994929, -0.61147881, -0.62236556, -0.6322188, -0.6410930300000001, -0.64904783, -0.65613529, -0.66241755]",LDA,-0.690681178100829,0.000128905082313758,32.0,1.0,-0.2741498770873533,-0.2741498770873533,E0,bcc,-0.6887876765000001,9.30659e-05,"[19.3393043248, 19.5428759492, 19.7464475737, 19.9500191982, 20.153590822600002, 20.3571624471, 20.5607340716, 20.7643056961, 20.9678773205, 21.171448945, 21.3750205695]" +66,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55746393, -0.57311099, -0.58743315, -0.60051568, -0.61243333, -0.62325501, -0.63304374, -0.64186119, -0.64976556, -0.65681297, -0.66305926]",LDA,-0.690681178100829,0.000128905082313758,40.0,1.0,-0.13568548420645418,-0.13568548420645418,E0,bcc,-0.689744024,7.98149e-05,"[19.3552010644, 19.5589400229, 19.7626789815, 19.9664179401, 20.1701568987, 20.3738958572, 20.5776348158, 20.7813737744, 20.985112733, 21.1888516915, 21.3925906501]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5572554, -0.57289409, -0.58721271, -0.60029749, -0.61222494, -0.62305656, -0.63285735, -0.6416864, -0.64960194, -0.65665588, -0.6628988]",LDA,5.368183916117442,0.0597827252478153,38.0,1.0,7.066710756285177,-7.066710756285177,dB,bcc,4.9888298858999995,0.0137696693,"[19.3526796681, 19.5563920857, 19.7601045033, 19.9638169208, 20.1675293384, 20.3712417559, 20.5749541735, 20.7786665911, 20.9823790086, 21.1860914262, 21.3898038437]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5572526, -0.5728915, -0.58721033, -0.60029743, -0.61222488, -0.6230565100000001, -0.63285729, -0.64168488, -0.64960188, -0.65665582, -0.66289874]",LDA,5.368183916117442,0.0597827252478153,38.0,1.0,6.985301017567407,-6.985301017567407,dB,bcc,4.9932001104,0.0146805953,"[19.3526626731, 19.5563749118, 19.7600871505, 19.9637993891, 20.1675116278, 20.3712238665, 20.5749361051, 20.7786483438, 20.9823605825, 21.1860728211, 21.3897850598]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.50728387, -0.52285382, -0.53743644, -0.55136448, -0.56405278, -0.57560383, -0.58603757, -0.59549544, -0.6039656800000001, -0.6115254, -0.61826336]",LDA,5.368183916117442,0.0597827252478153,6.0,1.0,96.39809340511853,-96.39809340511853,dB,bcc,0.1933569705,1.0255224509,"[19.2883078009, 19.4913426199, 19.6943774388, 19.8974122578, 20.1004470767, 20.3034818957, 20.5065167146, 20.7095515336, 20.9125863526, 21.1156211715, 21.3186559905]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988485, -0.61183927, -0.62269743, -0.63251385, -0.6413606, -0.64930287, -0.6564000600000001, -0.66268497]",LDA,5.368183916117442,0.0597827252478153,28.0,1.0,1.849377194759832,-1.849377194759832,dB,bcc,5.268905947,0.0470076476,"[19.3416025559, 19.5451983722, 19.7487941886, 19.952390005, 20.1559858214, 20.3595816378, 20.5631774541, 20.7667732705, 20.9703690869, 21.1739649033, 21.3775607196]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.50728386, -0.52285382, -0.53743644, -0.55136448, -0.56405277, -0.57560384, -0.58603759, -0.59549546, -0.60396569, -0.6115253900000001, -0.61826336]",LDA,5.368183916117442,0.0597827252478153,6.0,1.0,96.60232976831547,-96.60232976831547,dB,bcc,0.1823931869,1.048598783,"[19.2883094087, 19.4913442446, 19.6943790805, 19.8974139164, 20.1004487522, 20.3034835881, 20.506518424, 20.7095532599, 20.9125880958, 21.1156229316, 21.3186577675]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,5.368183916117442,0.0597827252478153,68.0,1.0,0.15233006562995058,0.15233006562995058,dB,bcc,5.3763612742,0.0118494779,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,5.368183916117442,0.0597827252478153,68.0,1.0,1.1102434568908,1.1102434568908,dB,bcc,5.4277838268,0.0136538661,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55752333, -0.57314741, -0.58745604, -0.60052753, -0.61243612, -0.62324222, -0.63301658, -0.64182072, -0.64971458, -0.6567525200000001, -0.66298492]",LDA,5.368183916117442,0.0597827252478153,42.0,1.0,4.552870507726748,-4.552870507726748,dB,bcc,5.1237774538,0.0328624174,"[19.3561150484, 19.5598636279, 19.7636122073, 19.9673607868, 20.1711093663, 20.3748579457, 20.5786065252, 20.7823551046, 20.9861036841, 21.1898522635, 21.393600843]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568904, -0.6259543, -0.63519801, -0.64348629, -0.65088979, -0.65768304]",LDA,5.368183916117442,0.0597827252478153,14.0,1.0,7.621808883151673,7.621808883151673,dB,bcc,5.7773366347,0.33730098810000003,"[19.1995506945, 19.4016512281, 19.6037517618, 19.8058522954, 20.007952829, 20.2100533626, 20.4121538963, 20.6142544299, 20.8163549635, 21.0184554972, 21.2205560308]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55865016, -0.57419423, -0.58843031, -0.60143337, -0.61327337, -0.6240233900000001, -0.63374313, -0.64249514, -0.65034037, -0.65732983, -0.66351545]",LDA,5.368183916117442,0.0597827252478153,60.0,1.0,5.216628762972415,-5.216628762972415,dB,bcc,5.0881456899,0.0243332994,"[19.3711467997, 19.5750536081, 19.7789604165, 19.9828672249, 20.1867740333, 20.3906808418, 20.5945876502, 20.7984944586, 21.002401267, 21.2063080754, 21.4102148838]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568903, -0.625956, -0.63519801, -0.64348629, -0.65088978, -0.65768304]",LDA,5.368183916117442,0.0597827252478153,14.0,1.0,7.5658324589651205,7.5658324589651205,dB,bcc,5.7743317173,0.3385591517,"[19.1995546693, 19.4016552447, 19.6037558202, 19.8058563957, 20.0079569711, 20.2100575466, 20.4121581221, 20.6142586975, 20.816359273, 21.0184598485, 21.2205604239]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867603, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.6485263, -0.655697, -0.6620579600000001]",LDA,5.368183916117442,0.0597827252478153,22.0,1.0,3.386316870343627,3.386316870343627,dB,bcc,5.5499676337,0.0750464637,"[19.3153670925, 19.5186867462, 19.7220063998, 19.9253260534, 20.128645707, 20.3319653606, 20.5352850142, 20.7386046678, 20.9419243214, 21.145243975, 21.3485636286]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55695913, -0.57263327, -0.58699504, -0.60011868, -0.61207978, -0.62292686, -0.63274213, -0.64158191, -0.64950445, -0.65657843, -0.66284793]",LDA,5.368183916117442,0.0597827252478153,34.0,1.0,4.585107627897026,-4.585107627897026,dB,bcc,5.1220469059,0.0635402063,"[19.3474536941, 19.5511111014, 19.7547685087, 19.958425916, 20.1620833233, 20.3657407306, 20.5693981379, 20.773055545200002, 20.9767129525, 21.1803703598, 21.3840277671]" +13,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55827058, -0.57384112, -0.58810054, -0.6011278800000001, -0.61299498, -0.62376844, -0.63350847, -0.64228177, -0.65014604, -0.65715439, -0.66335854]",LDA,5.368183916117442,0.0597827252478153,54.0,1.0,5.545968142476885,-5.545968142476885,dB,bcc,5.0704661463,0.0295693908,"[19.3663093483, 19.5701652362, 19.7740211241, 19.9778770119, 20.1817328998, 20.3855887877, 20.5894446756, 20.7933005634, 20.9971564513, 21.2010123392, 21.4048682271]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55827598, -0.5738461, -0.58810512, -0.60113208, -0.61299882, -0.62377194, -0.63351325, -0.64228463, -0.6501486, -0.65715668, -0.66336056]",LDA,5.368183916117442,0.0597827252478153,54.0,1.0,5.60010417889835,-5.60010417889835,dB,bcc,5.0675600243,0.030420602400000007,"[19.3663812429, 19.5702378875, 19.7740945322, 19.9779511768, 20.1818078215, 20.3856644662, 20.5895211108, 20.7933777555, 20.9972344001, 21.2010910448, 21.4049476895]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55871817, -0.5742529, -0.58847991, -0.60147463, -0.61330966, -0.6240536600000001, -0.6337722, -0.64252377, -0.65036792, -0.65736008, -0.66354696]",LDA,5.368183916117442,0.0597827252478153,62.0,1.0,5.135168919786511,-5.135168919786511,dB,bcc,5.0925186041,0.0198166125,"[19.3719352848, 19.5758503931, 19.7797655014, 19.9836806096, 20.1875957179, 20.3915108261, 20.5954259344, 20.7993410427, 21.0032561509, 21.2071712592, 21.4110863674]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55886055, -0.57438727, -0.58860446, -0.60158855, -0.61341569, -0.6241538999999999, -0.63386378, -0.64260814, -0.65044553, -0.65742966, -0.66361168]",LDA,5.368183916117442,0.0597827252478153,68.0,1.0,5.148410787261773,-5.148410787261773,dB,bcc,5.0918077563,0.0197088321,"[19.3738589992, 19.5777943571, 19.781729715, 19.9856650729, 20.1896004308, 20.3935357887, 20.5974711465, 20.8014065044, 21.0053418623, 21.2092772202, 21.4132125781]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530661, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.64421757, -0.65108373]",LDA,5.368183916117442,0.0597827252478153,8.0,1.0,18.221277079956927,-18.221277079956927,dB,bcc,4.3900322506,0.08772973540000001,"[18.9903904266, 19.1902892732, 19.3901881198, 19.5900869664, 19.789985813, 19.9898846596, 20.1897835061, 20.3896823527, 20.5895811993, 20.7894800459, 20.9893788925]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55826007, -0.57383568, -0.58810242, -0.60113486, -0.61300491, -0.62377534, -0.6335206999999999, -0.64229488, -0.65016047, -0.65716943, -0.66337623]",LDA,5.368183916117442,0.0597827252478153,52.0,1.0,5.036254013312144,-5.036254013312144,dB,bcc,5.0978285382,0.0304620183,"[19.3661801179, 19.5700346454, 19.773889173, 19.9777437005, 20.1815982281, 20.3854527556, 20.5893072832, 20.7931618108, 20.9970163383, 21.2008708659, 21.4047253934]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55784244, -0.5734421, -0.58772692, -0.60077651, -0.6126652300000001, -0.6234586999999999, -0.63322572, -0.64202499, -0.6499141900000001, -0.65694639, -0.66316875]",LDA,5.368183916117442,0.0597827252478153,44.0,1.0,5.358994524269348,-5.358994524269348,dB,bcc,5.080503234,0.0085197156,"[19.3604962997, 19.5642909976, 19.7680856955, 19.9718803934, 20.1756750912, 20.3794697891, 20.583264487, 20.7870591849, 20.9908538828, 21.1946485807, 21.3984432786]" +20,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586994, -0.57423659, -0.58846761, -0.60146822, -0.61331145, -0.62406242, -0.63378355, -0.64253885, -0.65038513, -0.65737632, -0.66356384]",LDA,5.368183916117442,0.0597827252478153,64.0,1.0,6.08880972084584,-6.08880972084584,dB,bcc,5.041325412,0.0272905601,"[19.3719886465, 19.5759043165, 19.7798199865, 19.9837356564, 20.1876513264, 20.3915669964, 20.5954826663, 20.7993983363, 21.0033140063, 21.2072296762, 21.4111453462]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55858514, -0.57413308, -0.5883673700000001, -0.60137166, -0.6132158, -0.6239669999999999, -0.63368895, -0.64244533, -0.6502968100000001, -0.65729481, -0.66348693]",LDA,5.368183916117442,0.0597827252478153,56.0,1.0,4.712674225968287,-4.712674225968287,dB,bcc,5.1151988963,0.023650203300000002,"[19.3701351226, 19.5740312818, 19.777927441, 19.9818236002, 20.1857197593, 20.3896159185, 20.5935120777, 20.7974082369, 21.0013043961, 21.2052005553, 21.4090967145]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55746941, -0.57311599, -0.5874383400000001, -0.6005198900000001, -0.61243523, -0.62325852, -0.6330469200000001, -0.64186406, -0.64976682, -0.65681409, -0.6630613]",LDA,5.368183916117442,0.0597827252478153,40.0,1.0,4.117356628818709,-4.117356628818709,dB,bcc,5.1471566398,0.0248578869,"[19.3552560503, 19.5589955876, 19.762735125, 19.9664746624, 20.1702141998, 20.3739537371, 20.5776932745, 20.7814328119, 20.9851723492, 21.1889118866, 21.392651424]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853908, -0.59862238, -0.61065879, -0.62160668, -0.6315092800000001, -0.64043231, -0.64842911, -0.65555513, -0.66187264]",LDA,5.368183916117442,0.0597827252478153,26.0,1.0,4.94571429679074,-4.94571429679074,dB,bcc,5.1026888767,0.0330777521,"[19.3222978799, 19.5256904892, 19.7290830984, 19.9324757077, 20.135868317, 20.3392609262, 20.5426535355, 20.7460461447, 20.949438754, 21.1528313633, 21.3562239725]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55290004, -0.56898801, -0.5836431, -0.59700471, -0.60923959, -0.62037921, -0.6304998900000001, -0.63961618, -0.6478014, -0.6551081400000001, -0.66158933]",LDA,5.368183916117442,0.0597827252478153,16.0,1.0,4.707559082666738,-4.707559082666738,dB,bcc,5.1154734866,0.227888497,"[19.2650373209, 19.4678271874, 19.670617054, 19.8734069205, 20.076196787, 20.2789866536, 20.4817765201, 20.6845663866, 20.8873562532, 21.0901461197, 21.2929359863]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55625163, -0.57195411, -0.58634418, -0.59949505, -0.6114807800000001, -0.6223678500000001, -0.63221881, -0.64109309, -0.64904789, -0.65613654, -0.66241867]",LDA,5.368183916117442,0.0597827252478153,32.0,1.0,7.663032598088843,-7.663032598088843,dB,bcc,4.9568182327,0.0275235851,"[19.3393241806, 19.542896014, 19.7464678475, 19.950039681, 20.1536115145, 20.357183348, 20.5607551814, 20.7643270149, 20.9678988484, 21.1714706819, 21.3750425154]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55784512, -0.57344709, -0.58773151, -0.60078072, -0.61266907, -0.6234622, -0.63322889, -0.6420278500000001, -0.64991676, -0.6569486800000001, -0.6631697400000001]",LDA,5.368183916117442,0.0597827252478153,44.0,1.0,5.250665309196441,-5.250665309196441,dB,bcc,5.0863185455,0.0060880762000000005,"[19.3605579314, 19.5643532781, 19.7681486247, 19.9719439713, 20.175739318, 20.3795346646, 20.5833300113, 20.7871253579, 20.9909207046, 21.1947160512, 21.3985113979]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,5.368183916117442,0.0597827252478153,68.0,1.0,0.15233006562995058,0.15233006562995058,dB,bcc,5.3763612742,0.0118494779,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55161014, -0.56767593, -0.58240402, -0.59586105, -0.60812647, -0.61927153, -0.62939395, -0.63843373, -0.64658031, -0.65384319, -0.6602977600000001]",LDA,5.368183916117442,0.0597827252478153,20.0,1.0,7.299615174154727,-7.299615174154727,dB,bcc,4.976327148399999,0.1266364662,"[19.2751567185, 19.478053105, 19.6809494916, 19.8838458781, 20.0867422646, 20.2896386511, 20.4925350376, 20.6954314241, 20.8983278106, 21.1012241971, 21.3041205836]" +29,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970042, -0.59250494, -0.6041692200000001, -0.61476823, -0.62477215, -0.63362942, -0.64160737, -0.6487573600000001]",LDA,5.368183916117442,0.0597827252478153,12.0,1.0,12.594706123100858,12.594706123100858,dB,bcc,6.0442909045,0.6507296811000001,"[19.1021406511, 19.3032158158, 19.5042909805, 19.7053661453, 19.90644131, 20.1075164748, 20.3085916395, 20.5096668043, 20.710741969, 20.9118171338, 21.1128922985]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55871822, -0.57425546, -0.58848257, -0.60147468, -0.61330971, -0.62405548, -0.63377225, -0.64252527, -0.65036927, -0.6573612999999999, -0.66354804]",LDA,5.368183916117442,0.0597827252478153,62.0,1.0,5.0396845626911775,-5.0396845626911775,dB,bcc,5.09764438,0.0154236266,"[19.3719615211, 19.5758769055, 19.7797922899, 19.9837076744, 20.1876230588, 20.3915384432, 20.5954538277, 20.7993692121, 21.0032845965, 21.207199981, 21.4111153654]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888791, -0.5744124700000001, -0.58862759, -0.60161184, -0.61343717, -0.62417355, -0.63388149, -0.64262429, -0.65045987, -0.65744251, -0.6636230200000001]",LDA,5.368183916117442,0.0597827252478153,68.0,1.0,5.15435288620965,-5.15435288620965,dB,bcc,5.0914887735,0.0216901946,"[19.3742264375, 19.5781656632, 19.7821048888, 19.9860441145, 20.1899833402, 20.3939225658, 20.5978617915, 20.8018010171, 21.0057402428, 21.2096794684, 21.4136186941]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5536133, -0.56948632, -0.58401674, -0.59728771, -0.60937977, -0.6203644500000001, -0.6303092, -0.63928526, -0.6473498999999999, -0.65453517, -0.66090884]",LDA,5.368183916117442,0.0597827252478153,24.0,1.0,1.9470271147683806,-1.9470271147683806,dB,bcc,5.2636639197,0.0315747663,"[19.304268511, 19.5074713374, 19.7106741638, 19.9138769902, 20.1170798167, 20.3202826431, 20.5234854695, 20.726688296, 20.9298911224, 21.1330939488, 21.3362967753]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5516157700000001, -0.56768113, -0.58240881, -0.59586545, -0.60812848, -0.61927522, -0.6293972999999999, -0.63843675, -0.6465830300000001, -0.65384562, -0.66029992]",LDA,5.368183916117442,0.0597827252478153,20.0,1.0,7.34640974452064,-7.34640974452064,dB,bcc,4.9738151298,0.12719129040000002,"[19.2752153047, 19.4781123079, 19.6810093111, 19.8839063143, 20.0868033175, 20.2897003207, 20.4925973239, 20.6954943272, 20.8983913304, 21.1012883336, 21.3041853368]" +34,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867604, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.64852631, -0.655697, -0.66205795]",LDA,5.368183916117442,0.0597827252478153,22.0,1.0,3.3856806328276723,3.3856806328276723,dB,bcc,5.5499334793,0.0750568333,"[19.3153659769, 19.5186856188, 19.7220052606, 19.9253249025, 20.1286445444, 20.3319641862, 20.5352838281, 20.73860347, 20.9419231118, 21.1452427537, 21.3485623955]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55800539, -0.57360672, -0.5878941999999999, -0.60094145, -0.61282561, -0.62361381, -0.63337199, -0.64216238, -0.65004088, -0.6570613, -0.66327968]",LDA,5.368183916117442,0.0597827252478153,46.0,1.0,4.597741198404242,-4.597741198404242,dB,bcc,5.1213687126,0.0184842494,"[19.3626369691, 19.5664542004, 19.7702714316, 19.9740886629, 20.1779058941, 20.3817231254, 20.5855403566, 20.7893575879, 20.9931748191, 21.1969920504, 21.4008092816]" +36,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800806, -0.57360919, -0.58789647, -0.60094566, -0.61282945, -0.62361731, -0.63337517, -0.64216379, -0.65004213, -0.65706242, -0.6632817]",LDA,5.368183916117442,0.0597827252478153,46.0,1.0,4.453091633088748,-4.453091633088748,dB,bcc,5.1291337673,0.0232889742,"[19.3626865391, 19.5665042922, 19.7703220452, 19.9741397983, 20.1779575513, 20.3817753044, 20.5855930574, 20.7894108105, 20.9932285635, 21.1970463165, 21.4008640696]" +37,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55289724, -0.56898541, -0.58364072, -0.59700471, -0.6092375800000001, -0.62037921, -0.6304982100000001, -0.63961618, -0.64780004, -0.65510691, -0.66158933]",LDA,5.368183916117442,0.0597827252478153,16.0,1.0,4.623361574335672,-4.623361574335672,dB,bcc,5.1199933637,0.2251584449,"[19.2650121239, 19.4678017252, 19.6705913265, 19.8733809278, 20.0761705291, 20.2789601304, 20.4817497317, 20.684539333, 20.8873289343, 21.0901185356, 21.2929081369]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55682127, -0.57249259, -0.58683394, -0.5999405600000001, -0.61188225, -0.62272597, -0.63253187, -0.64136888, -0.64928883, -0.65635626, -0.66261806]",LDA,5.368183916117442,0.0597827252478153,36.0,1.0,4.440911348094474,-4.440911348094474,dB,bcc,5.1297876274,0.0313324098,"[19.3463868571, 19.5500330346, 19.753679212, 19.9573253895, 20.1609715669, 20.3646177444, 20.5682639218, 20.7719100992, 20.9755562767, 21.1792024541, 21.3828486316]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,5.368183916117442,0.0597827252478153,68.0,1.0,1.1102434568908,1.1102434568908,dB,bcc,5.4277838268,0.0136538661,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +40,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55695913, -0.57263328, -0.58699738, -0.60012083, -0.61207978, -0.62292692, -0.63274381, -0.6415819700000001, -0.6495044999999999, -0.6565796700000001, -0.66284799]",LDA,5.368183916117442,0.0597827252478153,34.0,1.0,4.436495536272376,-4.436495536272376,dB,bcc,5.1300246763,0.0610995792,"[19.347475056, 19.5511326882, 19.7547903204, 19.9584479526, 20.1621055847, 20.3657632169, 20.5694208491, 20.7730784812, 20.9767361134, 21.1803937456, 21.3840513777]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55231706, -0.56900401, -0.58428766, -0.5982723600000001, -0.61101413, -0.62258533, -0.63306236, -0.64250856, -0.65097941, -0.65941956, -0.66618624]",LDA,5.368183916117442,0.0597827252478153,10.0,1.0,44.69473238573124,44.69473238573124,dB,bcc,7.7674793514,1.1832074415,"[19.1536946328, 19.355312471, 19.5569303092, 19.7585481475, 19.9601659857, 20.161783824, 20.3634016622, 20.5650195004, 20.7666373387, 20.9682551769, 21.1698730152]" +42,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55862334, -0.57416847, -0.58839983, -0.6014014, -0.6132430999999999, -0.62399176, -0.63371162, -0.64246576, -0.65031638, -0.6573110999999999, -0.66350136]",LDA,5.368183916117442,0.0597827252478153,56.0,1.0,4.769458869483346,-4.769458869483346,dB,bcc,5.1121505922,0.0224415694,"[19.3706128638, 19.5745140518, 19.7784152398, 19.9823164279, 20.1862176159, 20.390118804, 20.594019992, 20.79792118, 21.0018223681, 21.2057235561, 21.4096247442]" +43,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55875157, -0.57428804, -0.58851482, -0.60150731, -0.6133431500000001, -0.62408604, -0.63380406, -0.64255233, -0.65039296, -0.6573796, -0.6635631200000001]",LDA,5.368183916117442,0.0597827252478153,66.0,1.0,5.390130795420226,-5.390130795420226,dB,bcc,5.0788317817,0.0202499834,"[19.3725054915, 19.5764266019, 19.7803477124, 19.9842688228, 20.1881899333, 20.3921110437, 20.5960321541, 20.7999532646, 21.003874375, 21.2077954854, 21.4117165959]" +44,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55872943, -0.5742642, -0.58849314, -0.60149171, -0.61333278, -0.62408188, -0.63380129, -0.6425550999999999, -0.65039944, -0.65738915, -0.66357516]",LDA,5.368183916117442,0.0597827252478153,64.0,1.0,6.097644159222214,-6.097644159222214,dB,bcc,5.0408511631,0.027139249100000002,"[19.3723580497, 19.5762776081, 19.7801971665, 19.9841167249, 20.1880362834, 20.3919558418, 20.5958754002, 20.7997949586, 21.003714517, 21.2076340754, 21.4115536339]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55752338, -0.57314746, -0.5874560999999999, -0.6005275800000001, -0.61243618, -0.62324228, -0.63301825, -0.64182077, -0.64971463, -0.65675258, -0.66298497]",LDA,5.368183916117442,0.0597827252478153,42.0,1.0,4.6071853550859405,-4.6071853550859405,dB,bcc,5.1208617329,0.0336608611,"[19.3561221653, 19.5598708196, 19.763619474, 19.9673681284, 20.1711167827, 20.3748654371, 20.5786140915, 20.7823627459, 20.9861114002, 21.1898600546, 21.393608709]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55822847, -0.57380259, -0.5880664, -0.60109417, -0.61296123, -0.62373466, -0.63347763, -0.64225459, -0.65012448, -0.65713771, -0.66334443]",LDA,5.368183916117442,0.0597827252478153,50.0,1.0,4.953045891723964,-4.953045891723964,dB,bcc,5.1022953032,0.0196507006,"[19.3656070629, 19.5694555583, 19.7733040537, 19.9771525491, 20.1810010445, 20.3848495399, 20.5886980353, 20.7925465307, 20.9963950261, 21.2002435215, 21.4040920169]" +47,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530662, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.6442175800000001, -0.65108373]",LDA,5.368183916117442,0.0597827252478153,8.0,1.0,18.221141525733866,-18.221141525733866,dB,bcc,4.3900395274,0.08772731090000001,"[18.9903919935, 19.1902908566, 19.3901897197, 19.590088582699998, 19.7899874458, 19.9898863089, 20.189785172, 20.3896840351, 20.5895828982, 20.7894817613, 20.9893806244]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55802179, -0.57361291, -0.58789134, -0.60093523, -0.61281099, -0.62358819, -0.63333847, -0.64211918, -0.64999353, -0.6570089100000001, -0.6632207]",LDA,5.368183916117442,0.0597827252478153,48.0,1.0,4.205069245852252,-4.205069245852252,dB,bcc,5.1424480652,0.0269004558,"[19.362860139, 19.5666797194, 19.7704992998, 19.9743188802, 20.1781384606, 20.381958041, 20.5857776214, 20.7895972019, 20.9934167823, 21.1972363627, 21.4010559431]" +49,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55681853, -0.57249006, -0.58683162, -0.5999382600000001, -0.61188231, -0.62272424, -0.63253193, -0.64136894, -0.64928757, -0.65635632, -0.66261707]",LDA,5.368183916117442,0.0597827252478153,36.0,1.0,4.539190167941901,-4.539190167941901,dB,bcc,5.1245118396,0.032950094900000004,"[19.3463729099, 19.5500189406, 19.7536649712, 19.9573110018, 20.1609570325, 20.3646030631, 20.5682490937, 20.7718951244, 20.975541155, 21.1791871856, 21.3828332163]" +50,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888015, -0.57440472, -0.58862007, -0.60160784, -0.61343872, -0.62417912, -0.63389109, -0.64263439, -0.65047119, -0.6574535, -0.66363291]",LDA,5.368183916117442,0.0597827252478153,70.0,1.0,6.126912888173234,-6.126912888173234,dB,bcc,5.039279963899999,0.0278130558,"[19.3742544761, 19.5781939969, 19.7821335177, 19.9860730385, 20.1900125593, 20.3939520801, 20.5978916009, 20.8018311217, 21.0057706425, 21.2097101633, 21.4136496841]" +51,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55820895, -0.57378492, -0.5880478100000001, -0.6010770999999999, -0.6129456, -0.6237200900000001, -0.63346469, -0.64224288, -0.65011394, -0.6571283, -0.66333551]",LDA,5.368183916117442,0.0597827252478153,50.0,1.0,5.089431459253016,-5.089431459253016,dB,bcc,5.0949738751,0.018282062800000002,"[19.3653389173, 19.5691845901, 19.7730302629, 19.9768759358, 20.1807216086, 20.3845672814, 20.5884129542, 20.792258627, 20.9961042998, 21.1999499726, 21.4037956455]" +52,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55231706, -0.56900402, -0.58428768, -0.59827238, -0.61101415, -0.62258727, -0.63306235, -0.64251013, -0.6509808300000001, -0.65941528, -0.66618625]",LDA,5.368183916117442,0.0597827252478153,10.0,1.0,44.571277455655135,44.571277455655135,dB,bcc,7.7608520637,1.1730007937,"[19.1536999506, 19.3553178448, 19.5569357391, 19.7585536333, 19.960171527500002, 20.1617894217, 20.3634073159, 20.5650252101, 20.7666431044, 20.9682609986, 21.1698788928]" +53,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55861804, -0.57416427, -0.58840263, -0.60140891, -0.61325661, -0.6240103100000001, -0.63373724, -0.6424961100000001, -0.65034538, -0.65733957, -0.6635302200000001]",LDA,5.368183916117442,0.0597827252478153,58.0,1.0,5.791373197628722,-5.791373197628722,dB,bcc,5.0572923516,0.0238661557,"[19.3709411095, 19.5748457527, 19.778750396, 19.9826550392, 20.1865596825, 20.3904643258, 20.594368969, 20.7982736123, 21.0021782555, 21.2060828988, 21.4099875421]" +54,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55360774, -0.56947799, -0.58400933, -0.5972812, -0.60937381, -0.62035902, -0.6303042600000001, -0.63928228, -0.64734587, -0.65453071, -0.66090556]",LDA,5.368183916117442,0.0597827252478153,24.0,1.0,2.219078254002859,-2.219078254002859,dB,bcc,5.2490597142,0.0297345692,"[19.3041731932, 19.5073750163, 19.7105768394, 19.9137786624, 20.1169804855, 20.3201823086, 20.5233841317, 20.7265859548, 20.9297877779, 21.132989601, 21.3361914241]" +55,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55560084, -0.57136215, -0.58579664, -0.59898151, -0.6109827, -0.62188391, -0.63175182, -0.64064426, -0.64861669, -0.65571607, -0.66201921]",LDA,5.368183916117442,0.0597827252478153,30.0,1.0,3.75661311476255,-3.75661311476255,dB,bcc,5.1665220151,0.0265030654,"[19.3299474074, 19.533420538, 19.7368936686, 19.9403667992, 20.1438399298, 20.3473130604, 20.550786191, 20.7542593216, 20.9577324522, 21.1612055828, 21.3646787134]" +56,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853884500000001, -0.59862238, -0.61065879, -0.62160488, -0.63150764, -0.64043231, -0.64842911, -0.65555513, -0.66187158]",LDA,5.368183916117442,0.0597827252478153,26.0,1.0,5.059523972380598,-5.059523972380598,dB,bcc,5.096579364,0.0323051553,"[19.3222835076, 19.5256759656, 19.7290684235, 19.9324608815, 20.1358533395, 20.3392457975, 20.5426382554, 20.7460307134, 20.9494231714, 21.1528156294, 21.3562080873]" +57,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586092500000001, -0.57415889, -0.5883978400000001, -0.6014014, -0.61324609, -0.62399838, -0.63372044, -0.64247466, -0.65032046, -0.65731356, -0.66349985]",LDA,5.368183916117442,0.0597827252478153,60.0,1.0,5.14680557586539,-5.14680557586539,dB,bcc,5.091893927,0.022606432000000003,"[19.3706532384, 19.5745548514, 19.7784564644, 19.9823580775, 20.186259690500002, 20.3901613035, 20.5940629166, 20.7979645296, 21.0018661426, 21.2057677557, 21.4096693687]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988484, -0.61183926, -0.62269743, -0.63251384, -0.64136061, -0.64930281, -0.6564, -0.66268491]",LDA,5.368183916117442,0.0597827252478153,28.0,1.0,1.851073297229917,-1.851073297229917,dB,bcc,5.2688148971,0.0470238859,"[19.3416022486, 19.5451980618, 19.7487938749, 19.952389688, 20.1559855012, 20.3595813143, 20.5631771275, 20.7667729406, 20.9703687538, 21.1739645669, 21.3775603801]" +59,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800536, -0.57359514, -0.5878750500000001, -0.60092019, -0.6127973, -0.6235757, -0.63332713, -0.64210892, -0.6499843, -0.65700066, -0.66321297]",LDA,5.368183916117442,0.0597827252478153,48.0,1.0,4.409431798838978,-4.409431798838978,dB,bcc,5.1314775075,0.029574797200000006,"[19.3626286515, 19.5664457952, 19.7702629389, 19.9740800826, 20.1778972263, 20.38171437, 20.5855315137, 20.7893486574, 20.9931658011, 21.1969829448, 21.4008000885]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5582574, -0.57383322, -0.58810016, -0.60113279, -0.6130030200000001, -0.62377362, -0.63351914, -0.64229347, -0.65015922, -0.65716831, -0.66337525]",LDA,5.368183916117442,0.0597827252478153,52.0,1.0,5.035842939467703,-5.035842939467703,dB,bcc,5.097850605400001,0.0304666091,"[19.3661427008, 19.5699968345, 19.7738509682, 19.9777051019, 20.1815592356, 20.3854133693, 20.589267503, 20.7931216367, 20.9969757704, 21.2008299041, 21.4046840378]" +61,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55045475, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485115, -0.65214121, -0.65862552]",LDA,5.368183916117442,0.0597827252478153,18.0,1.0,0.7909126397470495,-0.7909126397470495,dB,bcc,5.325726271000001,0.107377137,"[19.2664133376, 19.4692176885, 19.6720220394, 19.8748263903, 20.0776307412, 20.2804350922, 20.4832394431, 20.686043794, 20.8888481449, 21.0916524958, 21.2944568468]" +62,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55560084, -0.57136214, -0.58579664, -0.5989815, -0.6109827, -0.62188391, -0.63175181, -0.64064426, -0.64861669, -0.65571601, -0.66201915]",LDA,5.368183916117442,0.0597827252478153,30.0,1.0,3.760190704558298,-3.760190704558298,dB,bcc,5.1663299635,0.0265623413,"[19.3299465698, 19.5334196915, 19.7368928133, 19.9403659351, 20.1438390569, 20.3473121787, 20.5507853005, 20.7542584223, 20.9577315441, 21.1612046658, 21.3646777876]" +63,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970041, -0.59250494, -0.60416921, -0.61476822, -0.62477214, -0.6336309, -0.64160736, -0.64875735]",LDA,5.368183916117442,0.0597827252478153,12.0,1.0,12.53247812286467,12.53247812286467,dB,bcc,6.040950391,0.6522384464000001,"[19.1021425961, 19.3032177813, 19.5042929665, 19.7053681517, 19.906443337, 20.1075185222, 20.3085937074, 20.5096688926, 20.7107440779, 20.9118192631, 21.1128944483]" +64,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55045474, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485251, -0.65214121, -0.65862552]",LDA,5.368183916117442,0.0597827252478153,18.0,1.0,0.8463727925011608,-0.8463727925011608,dB,bcc,5.322749068,0.105672507,"[19.2664191474, 19.4692235594, 19.6720279715, 19.8748323836, 20.0776367957, 20.2804412077, 20.4832456198, 20.6860500319, 20.888854444, 21.0916588561, 21.2944632681]" +65,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5562488800000001, -0.5719541, -0.58634184, -0.5994929, -0.61147881, -0.62236556, -0.6322188, -0.6410930300000001, -0.64904783, -0.65613529, -0.66241755]",LDA,5.368183916117442,0.0597827252478153,32.0,1.0,7.79373479476533,-7.79373479476533,dB,bcc,4.9498018984000005,0.026297768000000003,"[19.3393043248, 19.5428759492, 19.7464475737, 19.9500191982, 20.153590822600002, 20.3571624471, 20.5607340716, 20.7643056961, 20.9678773205, 21.171448945, 21.3750205695]" +66,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55746393, -0.57311099, -0.58743315, -0.60051568, -0.61243333, -0.62325501, -0.63304374, -0.64186119, -0.64976556, -0.65681297, -0.66305926]",LDA,5.368183916117442,0.0597827252478153,40.0,1.0,4.160873519009206,-4.160873519009206,dB,bcc,5.1448205731,0.022015319300000002,"[19.3552010644, 19.5589400229, 19.7626789815, 19.9664179401, 20.1701568987, 20.3738958572, 20.5776348158, 20.7813737744, 20.985112733, 21.1888516915, 21.3925906501]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55784244, -0.5734421, -0.58772692, -0.60077651, -0.6126652300000001, -0.6234586999999999, -0.63322572, -0.64202499, -0.6499141900000001, -0.65694639, -0.66316875]",LDA,23.5189917898672,0.0125662772105216,44.0,1.0,0.36334442662637956,-0.36334442662637956,v0,bcc,23.433536844000002,0.002540278,"[19.3604962997, 19.5642909976, 19.7680856955, 19.9718803934, 20.1756750912, 20.3794697891, 20.583264487, 20.7870591849, 20.9908538828, 21.1946485807, 21.3984432786]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5572554, -0.57289409, -0.58721271, -0.60029749, -0.61222494, -0.62305656, -0.63285735, -0.6416864, -0.64960194, -0.65665588, -0.6628988]",LDA,23.5189917898672,0.0125662772105216,38.0,1.0,0.4922337305167896,-0.4922337305167896,v0,bcc,23.4032233792,0.004019792,"[19.3526796681, 19.5563920857, 19.7601045033, 19.9638169208, 20.1675293384, 20.3712417559, 20.5749541735, 20.7786665911, 20.9823790086, 21.1860914262, 21.3898038437]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5572526, -0.5728915, -0.58721033, -0.60029743, -0.61222488, -0.6230565100000001, -0.63285729, -0.64168488, -0.64960188, -0.65665582, -0.66289874]",LDA,23.5189917898672,0.0125662772105216,38.0,1.0,0.4885704990836735,-0.4885704990836735,v0,bcc,23.4040849343,0.0042895705,"[19.3526626731, 19.5563749118, 19.7600871505, 19.9637993891, 20.1675116278, 20.3712238665, 20.5749361051, 20.7786483438, 20.9823605825, 21.1860728211, 21.3897850598]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988485, -0.61183927, -0.62269743, -0.63251385, -0.6413606, -0.64930287, -0.6564000600000001, -0.66268497]",LDA,23.5189917898672,0.0125662772105216,28.0,1.0,0.1649634606527508,-0.1649634606527508,v0,bcc,23.4801940471,0.014898048600000003,"[19.3416025559, 19.5451983722, 19.7487941886, 19.952390005, 20.1559858214, 20.3595816378, 20.5631774541, 20.7667732705, 20.9703690869, 21.1739649033, 21.3775607196]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.50728386, -0.52285382, -0.53743644, -0.55136448, -0.56405277, -0.57560384, -0.58603759, -0.59549546, -0.60396569, -0.6115253900000001, -0.61826336]",LDA,23.5189917898672,0.0125662772105216,6.0,1.0,3.7415023463987134,-3.7415023463987134,v0,bcc,22.6390281602,0.1382834033,"[19.2883094087, 19.4913442446, 19.6943790805, 19.8974139164, 20.1004487522, 20.3034835881, 20.506518424, 20.7095532599, 20.9125880958, 21.1156229316, 21.3186577675]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.07006603350360997,-0.07006603350360997,v0,bcc,23.5025129652,0.0018008864000000004,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.04084624737757783,-0.04084624737757783,v0,bcc,23.5093851643,0.00168499,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55752333, -0.57314741, -0.58745604, -0.60052753, -0.61243612, -0.62324222, -0.63301658, -0.64182072, -0.64971458, -0.6567525200000001, -0.66298492]",LDA,23.5189917898672,0.0125662772105216,42.0,1.0,0.361365952361183,-0.361365952361183,v0,bcc,23.4340021612,0.0098628204,"[19.3561150484, 19.5598636279, 19.7636122073, 19.9673607868, 20.1711093663, 20.3748579457, 20.5786065252, 20.7823551046, 20.9861036841, 21.1898522635, 21.393600843]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568904, -0.6259543, -0.63519801, -0.64348629, -0.65088979, -0.65768304]",LDA,23.5189917898672,0.0125662772105216,14.0,1.0,0.08446046459081767,0.08446046459081767,v0,bcc,23.5388560396,0.1291158679,"[19.1995506945, 19.4016512281, 19.6037517618, 19.8058522954, 20.007952829, 20.2100533626, 20.4121538963, 20.6142544299, 20.8163549635, 21.0184554972, 21.2205560308]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55865016, -0.57419423, -0.58843031, -0.60143337, -0.61327337, -0.6240233900000001, -0.63374313, -0.64249514, -0.65034037, -0.65732983, -0.66351545]",LDA,23.5189917898672,0.0125662772105216,60.0,1.0,0.3687113437599059,-0.3687113437599059,v0,bcc,23.4322745992,0.0071869967,"[19.3711467997, 19.5750536081, 19.7789604165, 19.9828672249, 20.1867740333, 20.3906808418, 20.5945876502, 20.7984944586, 21.002401267, 21.2063080754, 21.4102148838]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.54685635, -0.56319904, -0.57818145, -0.59187721, -0.60435102, -0.61568903, -0.625956, -0.63519801, -0.64348629, -0.65088978, -0.65768304]",LDA,23.5189917898672,0.0125662772105216,14.0,1.0,0.07888770572551593,0.07888770572551593,v0,bcc,23.5375453829,0.12945353140000002,"[19.1995546693, 19.4016552447, 19.6037558202, 19.8058563957, 20.0079569711, 20.2100575466, 20.4121581221, 20.6142586975, 20.816359273, 21.0184598485, 21.2205604239]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867603, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.6485263, -0.655697, -0.6620579600000001]",LDA,23.5189917898672,0.0125662772105216,22.0,1.0,0.20346444932819607,0.20346444932819607,v0,bcc,23.566844576999998,0.026305807,"[19.3153670925, 19.5186867462, 19.7220063998, 19.9253260534, 20.128645707, 20.3319653606, 20.5352850142, 20.7386046678, 20.9419243214, 21.145243975, 21.3485636286]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55695913, -0.57263327, -0.58699504, -0.60011868, -0.61207978, -0.62292686, -0.63274213, -0.64158191, -0.64950445, -0.65657843, -0.66284793]",LDA,23.5189917898672,0.0125662772105216,34.0,1.0,0.3826981767389223,-0.3826981767389223,v0,bcc,23.428985037100002,0.0191364363,"[19.3474536941, 19.5511111014, 19.7547685087, 19.958425916, 20.1620833233, 20.3657407306, 20.5693981379, 20.773055545200002, 20.9767129525, 21.1803703598, 21.3840277671]" +13,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55827058, -0.57384112, -0.58810054, -0.6011278800000001, -0.61299498, -0.62376844, -0.63350847, -0.64228177, -0.65014604, -0.65715439, -0.66335854]",LDA,23.5189917898672,0.0125662772105216,54.0,1.0,0.39053851707526865,-0.39053851707526865,v0,bcc,23.4271410681,0.0087270435,"[19.3663093483, 19.5701652362, 19.7740211241, 19.9778770119, 20.1817328998, 20.3855887877, 20.5894446756, 20.7933005634, 20.9971564513, 21.2010123392, 21.4048682271]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55827598, -0.5738461, -0.58810512, -0.60113208, -0.61299882, -0.62377194, -0.63351325, -0.64228463, -0.6501486, -0.65715668, -0.66336056]",LDA,23.5189917898672,0.0125662772105216,54.0,1.0,0.3947086477881963,-0.3947086477881963,v0,bcc,23.4261602954,0.00896968,"[19.3663812429, 19.5702378875, 19.7740945322, 19.9779511768, 20.1818078215, 20.3856644662, 20.5895211108, 20.7933777555, 20.9972344001, 21.2010910448, 21.4049476895]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55871817, -0.5742529, -0.58847991, -0.60147463, -0.61330966, -0.6240536600000001, -0.6337722, -0.64252377, -0.65036792, -0.65736008, -0.66354696]",LDA,23.5189917898672,0.0125662772105216,62.0,1.0,0.336752288426425,-0.336752288426425,v0,bcc,23.4397910468,0.005883164399999999,"[19.3719352848, 19.5758503931, 19.7797655014, 19.9836806096, 20.1875957179, 20.3915108261, 20.5954259344, 20.7993410427, 21.0032561509, 21.2071712592, 21.4110863674]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55886055, -0.57438727, -0.58860446, -0.60158855, -0.61341569, -0.6241538999999999, -0.63386378, -0.64260814, -0.65044553, -0.65742966, -0.66361168]",LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.3359247435990861,-0.3359247435990861,v0,bcc,23.439985677,0.0058422734,"[19.3738589992, 19.5777943571, 19.781729715, 19.9856650729, 20.1896004308, 20.3935357887, 20.5974711465, 20.8014065044, 21.0053418623, 21.2092772202, 21.4132125781]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530661, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.64421757, -0.65108373]",LDA,23.5189917898672,0.0125662772105216,8.0,1.0,2.9439348146951825,-2.9439348146951825,v0,bcc,22.8266080025,0.021851523100000003,"[18.9903904266, 19.1902892732, 19.3901881198, 19.5900869664, 19.789985813, 19.9898846596, 20.1897835061, 20.3896823527, 20.5895811993, 20.7894800459, 20.9893788925]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55826007, -0.57383568, -0.58810242, -0.60113486, -0.61300491, -0.62377534, -0.6335206999999999, -0.64229488, -0.65016047, -0.65716943, -0.66337623]",LDA,23.5189917898672,0.0125662772105216,52.0,1.0,0.3635684481340807,-0.3635684481340807,v0,bcc,23.4334841564,0.0090480523,"[19.3661801179, 19.5700346454, 19.773889173, 19.9777437005, 20.1815982281, 20.3854527556, 20.5893072832, 20.7931618108, 20.9970163383, 21.2008708659, 21.4047253934]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586994, -0.57423659, -0.58846761, -0.60146822, -0.61331145, -0.62406242, -0.63378355, -0.64253885, -0.65038513, -0.65737632, -0.66356384]",LDA,23.5189917898672,0.0125662772105216,64.0,1.0,0.40483626601809497,-0.40483626601809497,v0,bcc,23.4237783817,0.0079824652,"[19.3719886465, 19.5759043165, 19.7798199865, 19.9837356564, 20.1876513264, 20.3915669964, 20.5954826663, 20.7993983363, 21.0033140063, 21.2072296762, 21.4111453462]" +20,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55858514, -0.57413308, -0.5883673700000001, -0.60137166, -0.6132158, -0.6239669999999999, -0.63368895, -0.64244533, -0.6502968100000001, -0.65729481, -0.66348693]",LDA,23.5189917898672,0.0125662772105216,56.0,1.0,0.31674794707524706,-0.31674794707524706,v0,bcc,23.4444958662,0.007065752900000001,"[19.3701351226, 19.5740312818, 19.777927441, 19.9818236002, 20.1857197593, 20.3896159185, 20.5935120777, 20.7974082369, 21.0013043961, 21.2052005553, 21.4090967145]" +21,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55746941, -0.57311599, -0.5874383400000001, -0.6005198900000001, -0.61243523, -0.62325852, -0.6330469200000001, -0.64186406, -0.64976682, -0.65681409, -0.6630613]",LDA,23.5189917898672,0.0125662772105216,40.0,1.0,0.3190984895854903,-0.3190984895854903,v0,bcc,23.4439430423,0.0075309040000000015,"[19.3552560503, 19.5589955876, 19.762735125, 19.9664746624, 20.1702141998, 20.3739537371, 20.5776932745, 20.7814328119, 20.9851723492, 21.1889118866, 21.392651424]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853908, -0.59862238, -0.61065879, -0.62160668, -0.6315092800000001, -0.64043231, -0.64842911, -0.65555513, -0.66187264]",LDA,23.5189917898672,0.0125662772105216,26.0,1.0,0.5216964479746968,-0.5216964479746968,v0,bcc,23.396294045100003,0.0099215411,"[19.3222978799, 19.5256904892, 19.7290830984, 19.9324757077, 20.135868317, 20.3392609262, 20.5426535355, 20.7460461447, 20.949438754, 21.1528313633, 21.3562239725]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55290004, -0.56898801, -0.5836431, -0.59700471, -0.60923959, -0.62037921, -0.6304998900000001, -0.63961618, -0.6478014, -0.6551081400000001, -0.66158933]",LDA,23.5189917898672,0.0125662772105216,16.0,1.0,0.4392117961098316,-0.4392117961098316,v0,bcc,23.4156936036,0.0727696353,"[19.2650373209, 19.4678271874, 19.670617054, 19.8734069205, 20.076196787, 20.2789866536, 20.4817765201, 20.6845663866, 20.8873562532, 21.0901461197, 21.2929359863]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55625163, -0.57195411, -0.58634418, -0.59949505, -0.6114807800000001, -0.6223678500000001, -0.63221881, -0.64109309, -0.64904789, -0.65613654, -0.66241867]",LDA,23.5189917898672,0.0125662772105216,32.0,1.0,0.5843955735654377,-0.5843955735654377,v0,bcc,23.381547842899998,0.007981879,"[19.3393241806, 19.542896014, 19.7464678475, 19.950039681, 20.1536115145, 20.357183348, 20.5607551814, 20.7643270149, 20.9678988484, 21.1714706819, 21.3750425154]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55784512, -0.57344709, -0.58773151, -0.60078072, -0.61266907, -0.6234622, -0.63322889, -0.6420278500000001, -0.64991676, -0.6569486800000001, -0.6631697400000001]",LDA,23.5189917898672,0.0125662772105216,44.0,1.0,0.3585708992999211,-0.3585708992999211,v0,bcc,23.4346595295,0.0018172826000000001,"[19.3605579314, 19.5643532781, 19.7681486247, 19.9719439713, 20.175739318, 20.3795346646, 20.5833300113, 20.7871253579, 20.9909207046, 21.1947160512, 21.3985113979]" +26,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.61114137, -0.62250749, -0.63275087, -0.64194436, -0.65014878, -0.65742966, -0.66384279, -0.6694413, -0.67427619, -0.67839394, -0.6818387300000001]",LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.07006603350360997,-0.07006603350360997,v0,bcc,23.5025129652,0.0018008864000000004,"[20.1488241948, 20.3609170811, 20.5730099674, 20.7851028536, 20.9971957399, 21.2092886262, 21.4213815124, 21.6334743987, 21.8455672849, 22.0576601712, 22.2697530575]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55161014, -0.56767593, -0.58240402, -0.59586105, -0.60812647, -0.61927153, -0.62939395, -0.63843373, -0.64658031, -0.65384319, -0.6602977600000001]",LDA,23.5189917898672,0.0125662772105216,20.0,1.0,0.8703175960773348,-0.8703175960773348,v0,bcc,23.314301865900003,0.0369268787,"[19.2751567185, 19.478053105, 19.6809494916, 19.8838458781, 20.0867422646, 20.2896386511, 20.4925350376, 20.6954314241, 20.8983278106, 21.1012241971, 21.3041205836]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970042, -0.59250494, -0.6041692200000001, -0.61476823, -0.62477215, -0.63362942, -0.64160737, -0.6487573600000001]",LDA,23.5189917898672,0.0125662772105216,12.0,1.0,2.2577401271153588,2.2577401271153588,v0,bcc,24.049989505,0.3801740837,"[19.1021406511, 19.3032158158, 19.5042909805, 19.7053661453, 19.90644131, 20.1075164748, 20.3085916395, 20.5096668043, 20.710741969, 20.9118171338, 21.1128922985]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55871822, -0.57425546, -0.58848257, -0.60147468, -0.61330971, -0.62405548, -0.63377225, -0.64252527, -0.65036927, -0.6573612999999999, -0.66354804]",LDA,23.5189917898672,0.0125662772105216,62.0,1.0,0.32994576536497827,-0.32994576536497827,v0,bcc,23.441391872399997,0.0045856746,"[19.3719615211, 19.5758769055, 19.7797922899, 19.9837076744, 20.1876230588, 20.3915384432, 20.5954538277, 20.7993692121, 21.0032845965, 21.207199981, 21.4111153654]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888791, -0.5744124700000001, -0.58862759, -0.60161184, -0.61343717, -0.62417355, -0.63388149, -0.64262429, -0.65045987, -0.65744251, -0.6636230200000001]",LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.33823083139759264,-0.33823083139759264,v0,bcc,23.4394433084,0.006424967100000001,"[19.3742264375, 19.5781656632, 19.7821048888, 19.9860441145, 20.1899833402, 20.3939225658, 20.5978617915, 20.8018010171, 21.0057402428, 21.2096794684, 21.4136186941]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5551591300000001, -0.57099133, -0.58548521, -0.59867604, -0.61071889, -0.62165612, -0.6315457, -0.6404908500000001, -0.64852631, -0.655697, -0.66205795]",LDA,23.5189917898672,0.0125662772105216,22.0,1.0,0.20339635499770245,0.20339635499770245,v0,bcc,23.5668285619,0.0263093091,"[19.3153659769, 19.5186856188, 19.7220052606, 19.9253249025, 20.1286445444, 20.3319641862, 20.5352838281, 20.73860347, 20.9419231118, 21.1452427537, 21.3485623955]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5536133, -0.56948632, -0.58401674, -0.59728771, -0.60937977, -0.6203644500000001, -0.6303092, -0.63928526, -0.6473498999999999, -0.65453517, -0.66090884]",LDA,23.5189917898672,0.0125662772105216,24.0,1.0,0.2707103022784799,-0.2707103022784799,v0,bcc,23.4553234561,0.0101338472,"[19.304268511, 19.5074713374, 19.7106741638, 19.9138769902, 20.1170798167, 20.3202826431, 20.5234854695, 20.726688296, 20.9298911224, 21.1330939488, 21.3362967753]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5516157700000001, -0.56768113, -0.58240881, -0.59586545, -0.60812848, -0.61927522, -0.6293972999999999, -0.63843675, -0.6465830300000001, -0.65384562, -0.66029992]",LDA,23.5189917898672,0.0125662772105216,20.0,1.0,0.8725595765360026,-0.8725595765360026,v0,bcc,23.3137745747,0.0370669907,"[19.2752153047, 19.4781123079, 19.6810093111, 19.8839063143, 20.0868033175, 20.2897003207, 20.4925973239, 20.6954943272, 20.8983913304, 21.1012883336, 21.3041853368]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55800539, -0.57360672, -0.5878941999999999, -0.60094145, -0.61282561, -0.62361381, -0.63337199, -0.64216238, -0.65004088, -0.6570613, -0.66327968]",LDA,23.5189917898672,0.0125662772105216,46.0,1.0,0.342513928262479,-0.342513928262479,v0,bcc,23.438435967199997,0.0055345001,"[19.3626369691, 19.5664542004, 19.7702714316, 19.9740886629, 20.1779058941, 20.3817231254, 20.5855403566, 20.7893575879, 20.9931748191, 21.1969920504, 21.4008092816]" +35,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800806, -0.57360919, -0.58789647, -0.60094566, -0.61282945, -0.62361731, -0.63337517, -0.64216379, -0.65004213, -0.65706242, -0.6632817]",LDA,23.5189917898672,0.0125662772105216,46.0,1.0,0.33490717744600124,-0.33490717744600124,v0,bcc,23.4402249983,0.006985168700000001,"[19.3626865391, 19.5665042922, 19.7703220452, 19.9741397983, 20.1779575513, 20.3817753044, 20.5855930574, 20.7894108105, 20.9932285635, 21.1970463165, 21.4008640696]" +36,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55289724, -0.56898541, -0.58364072, -0.59700471, -0.6092375800000001, -0.62037921, -0.6304982100000001, -0.63961618, -0.64780004, -0.65510691, -0.66158933]",LDA,23.5189917898672,0.0125662772105216,16.0,1.0,0.4342393937617776,-0.4342393937617776,v0,bcc,23.4168630625,0.0719789208,"[19.2650121239, 19.4678017252, 19.6705913265, 19.8733809278, 20.0761705291, 20.2789601304, 20.4817497317, 20.684539333, 20.8873289343, 21.0901185356, 21.2929081369]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55682127, -0.57249259, -0.58683394, -0.5999405600000001, -0.61188225, -0.62272597, -0.63253187, -0.64136888, -0.64928883, -0.65635626, -0.66261806]",LDA,23.5189917898672,0.0125662772105216,36.0,1.0,0.3639168066042583,-0.3639168066042583,v0,bcc,23.433402226,0.0094798626,"[19.3463868571, 19.5500330346, 19.753679212, 19.9573253895, 20.1609715669, 20.3646177444, 20.5682639218, 20.7719100992, 20.9755562767, 21.1792024541, 21.3828486316]" +38,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.62156758, -0.63200026, -0.64135676, -0.64970074, -0.65709922, -0.66361168, -0.66929123, -0.67418987, -0.6783572999999999, -0.6818387300000001, -0.68467689]",LDA,23.5189917898672,0.0125662772105216,68.0,1.0,0.04084624737757783,-0.04084624737757783,v0,bcc,23.5093851643,0.00168499,"[20.342556553, 20.5566887272, 20.7708209015, 20.9849530757, 21.1990852499, 21.4132174242, 21.6273495984, 21.8414817727, 22.0556139469, 22.2697461212, 22.4838782954]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55695913, -0.57263328, -0.58699738, -0.60012083, -0.61207978, -0.62292692, -0.63274381, -0.6415819700000001, -0.6495044999999999, -0.6565796700000001, -0.66284799]",LDA,23.5189917898672,0.0125662772105216,34.0,1.0,0.37369491665482735,-0.37369491665482735,v0,bcc,23.4311025131,0.0184384493,"[19.347475056, 19.5511326882, 19.7547903204, 19.9584479526, 20.1621055847, 20.3657632169, 20.5694208491, 20.7730784812, 20.9767361134, 21.1803937456, 21.3840513777]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55231706, -0.56900401, -0.58428766, -0.5982723600000001, -0.61101413, -0.62258533, -0.63306236, -0.64250856, -0.65097941, -0.65941956, -0.66618624]",LDA,23.5189917898672,0.0125662772105216,10.0,1.0,7.071448201913717,7.071448201913717,v0,bcc,25.1821251119,1.4714686211,"[19.1536946328, 19.355312471, 19.5569303092, 19.7585481475, 19.9601659857, 20.161783824, 20.3634016622, 20.5650195004, 20.7666373387, 20.9682551769, 21.1698730152]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55862334, -0.57416847, -0.58839983, -0.6014014, -0.6132430999999999, -0.62399176, -0.63371162, -0.64246576, -0.65031638, -0.6573110999999999, -0.66350136]",LDA,23.5189917898672,0.0125662772105216,56.0,1.0,0.3204368539287052,-0.3204368539287052,v0,bcc,23.4436282725,0.0066964723,"[19.3706128638, 19.5745140518, 19.7784152398, 19.9823164279, 20.1862176159, 20.390118804, 20.594019992, 20.79792118, 21.0018223681, 21.2057235561, 21.4096247442]" +42,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55875157, -0.57428804, -0.58851482, -0.60150731, -0.6133431500000001, -0.62408604, -0.63380406, -0.64255233, -0.65039296, -0.6573796, -0.6635631200000001]",LDA,23.5189917898672,0.0125662772105216,66.0,1.0,0.3664969091248975,-0.3664969091248975,v0,bcc,23.4327954119,0.0059731828,"[19.3725054915, 19.5764266019, 19.7803477124, 19.9842688228, 20.1881899333, 20.3921110437, 20.5960321541, 20.7999532646, 21.003874375, 21.2077954854, 21.4117165959]" +43,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55872943, -0.5742642, -0.58849314, -0.60149171, -0.61333278, -0.62408188, -0.63380129, -0.6425550999999999, -0.65039944, -0.65738915, -0.66357516]",LDA,23.5189917898672,0.0125662772105216,64.0,1.0,0.405386948212128,-0.405386948212128,v0,bcc,23.423648866799997,0.0079347588,"[19.3723580497, 19.5762776081, 19.7801971665, 19.9841167249, 20.1880362834, 20.3919558418, 20.5958754002, 20.7997949586, 21.003714517, 21.2076340754, 21.4115536339]" +44,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55752338, -0.57314746, -0.5874560999999999, -0.6005275800000001, -0.61243618, -0.62324228, -0.63301825, -0.64182077, -0.64971463, -0.65675258, -0.66298497]",LDA,23.5189917898672,0.0125662772105216,42.0,1.0,0.36563515194664953,-0.36563515194664953,v0,bcc,23.4329980885,0.0100931238,"[19.3561221653, 19.5598708196, 19.763619474, 19.9673681284, 20.1711167827, 20.3748654371, 20.5786140915, 20.7823627459, 20.9861114002, 21.1898600546, 21.393608709]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55822847, -0.57380259, -0.5880664, -0.60109417, -0.61296123, -0.62373466, -0.63347763, -0.64225459, -0.65012448, -0.65713771, -0.66334443]",LDA,23.5189917898672,0.0125662772105216,50.0,1.0,0.34203457863299913,-0.34203457863299913,v0,bcc,23.4385487054,0.005863045600000001,"[19.3656070629, 19.5694555583, 19.7733040537, 19.9771525491, 20.1810010445, 20.3848495399, 20.5886980353, 20.7925465307, 20.9963950261, 21.2002435215, 21.4040920169]" +46,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53496524, -0.55208424, -0.56779036, -0.5821634, -0.59530662, -0.60724075, -0.61805019, -0.62775851, -0.63646874, -0.6442175800000001, -0.65108373]",LDA,23.5189917898672,0.0125662772105216,8.0,1.0,2.943919960742127,-2.943919960742127,v0,bcc,22.826611495999998,0.0218509225,"[18.9903919935, 19.1902908566, 19.3901897197, 19.590088582699998, 19.7899874458, 19.9898863089, 20.189785172, 20.3896840351, 20.5895828982, 20.7894817613, 20.9893806244]" +47,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55802179, -0.57361291, -0.58789134, -0.60093523, -0.61281099, -0.62358819, -0.63333847, -0.64211918, -0.64999353, -0.6570089100000001, -0.6632207]",LDA,23.5189917898672,0.0125662772105216,48.0,1.0,0.3245027994783422,-0.3245027994783422,v0,bcc,23.4426720031,0.0080880337,"[19.362860139, 19.5666797194, 19.7704992998, 19.9743188802, 20.1781384606, 20.381958041, 20.5857776214, 20.7895972019, 20.9934167823, 21.1972363627, 21.4010559431]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55681853, -0.57249006, -0.58683162, -0.5999382600000001, -0.61188231, -0.62272424, -0.63253193, -0.64136894, -0.64928757, -0.65635632, -0.66261707]",LDA,23.5189917898672,0.0125662772105216,36.0,1.0,0.3719095437793627,-0.3719095437793627,v0,bcc,23.4315224148,0.0099525993,"[19.3463729099, 19.5500189406, 19.7536649712, 19.9573110018, 20.1609570325, 20.3646030631, 20.5682490937, 20.7718951244, 20.975541155, 21.1791871856, 21.3828332163]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55888015, -0.57440472, -0.58862007, -0.60160784, -0.61343872, -0.62417912, -0.63389109, -0.64263439, -0.65047119, -0.6574535, -0.66363291]",LDA,23.5189917898672,0.0125662772105216,70.0,1.0,0.4042524926947094,-0.4042524926947094,v0,bcc,23.4239156793,0.0081196042,"[19.3742544761, 19.5781939969, 19.7821335177, 19.9860730385, 20.1900125593, 20.3939520801, 20.5978916009, 20.8018311217, 21.0057706425, 21.2097101633, 21.4136496841]" +50,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55820895, -0.57378492, -0.5880478100000001, -0.6010770999999999, -0.6129456, -0.6237200900000001, -0.63346469, -0.64224288, -0.65011394, -0.6571283, -0.66333551]",LDA,23.5189917898672,0.0125662772105216,50.0,1.0,0.34957448942441893,-0.34957448942441893,v0,bcc,23.4367753944,0.0054464754,"[19.3653389173, 19.5691845901, 19.7730302629, 19.9768759358, 20.1807216086, 20.3845672814, 20.5884129542, 20.792258627, 20.9961042998, 21.1999499726, 21.4037956455]" +51,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55231706, -0.56900402, -0.58428768, -0.59827238, -0.61101415, -0.62258727, -0.63306235, -0.64251013, -0.6509808300000001, -0.65941528, -0.66618625]",LDA,23.5189917898672,0.0125662772105216,10.0,1.0,7.028497193255467,7.028497193255467,v0,bcc,25.1720234677,1.449982373,"[19.1536999506, 19.3553178448, 19.5569357391, 19.7585536333, 19.960171527500002, 20.1617894217, 20.3634073159, 20.5650252101, 20.7666431044, 20.9682609986, 21.1698788928]" +52,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55861804, -0.57416427, -0.58840263, -0.60140891, -0.61325661, -0.6240103100000001, -0.63373724, -0.6424961100000001, -0.65034538, -0.65733957, -0.6635302200000001]",LDA,23.5189917898672,0.0125662772105216,58.0,1.0,0.3924202363426334,-0.3924202363426334,v0,bcc,23.4266985067,0.0070086453000000005,"[19.3709411095, 19.5748457527, 19.778750396, 19.9826550392, 20.1865596825, 20.3904643258, 20.594368969, 20.7982736123, 21.0021782555, 21.2060828988, 21.4099875421]" +53,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5550965999999999, -0.5709042, -0.5853884500000001, -0.59862238, -0.61065879, -0.62160488, -0.63150764, -0.64043231, -0.64842911, -0.65555513, -0.66187158]",LDA,23.5189917898672,0.0125662772105216,26.0,1.0,0.5285244910912976,-0.5285244910912976,v0,bcc,23.3946881582,0.0096750537,"[19.3222835076, 19.5256759656, 19.7290684235, 19.9324608815, 20.1358533395, 20.3392457975, 20.5426382554, 20.7460307134, 20.9494231714, 21.1528156294, 21.3562080873]" +54,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55360774, -0.56947799, -0.58400933, -0.5972812, -0.60937381, -0.62035902, -0.6303042600000001, -0.63928228, -0.64734587, -0.65453071, -0.66090556]",LDA,23.5189917898672,0.0125662772105216,24.0,1.0,0.28934181182256663,-0.28934181182256663,v0,bcc,23.4509415129,0.0095054924,"[19.3041731932, 19.5073750163, 19.7105768394, 19.9137786624, 20.1169804855, 20.3201823086, 20.5233841317, 20.7265859548, 20.9297877779, 21.132989601, 21.3361914241]" +55,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55560084, -0.57136215, -0.58579664, -0.59898151, -0.6109827, -0.62188391, -0.63175182, -0.64064426, -0.64861669, -0.65571607, -0.66201921]",LDA,23.5189917898672,0.0125662772105216,30.0,1.0,0.3999321714450457,-0.3999321714450457,v0,bcc,23.424931775300003,0.0080970113,"[19.3299474074, 19.533420538, 19.7368936686, 19.9403667992, 20.1438399298, 20.3473130604, 20.550786191, 20.7542593216, 20.9577324522, 21.1612055828, 21.3646787134]" +56,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5586092500000001, -0.57415889, -0.5883978400000001, -0.6014014, -0.61324609, -0.62399838, -0.63372044, -0.64247466, -0.65032046, -0.65731356, -0.66349985]",LDA,23.5189917898672,0.0125662772105216,60.0,1.0,0.36600040314774784,-0.36600040314774784,v0,bcc,23.4329121851,0.0066843502,"[19.3706532384, 19.5745548514, 19.7784564644, 19.9823580775, 20.186259690500002, 20.3901613035, 20.5940629166, 20.7979645296, 21.0018661426, 21.2057677557, 21.4096693687]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.50728387, -0.52285382, -0.53743644, -0.55136448, -0.56405278, -0.57560383, -0.58603757, -0.59549544, -0.6039656800000001, -0.6115254, -0.61826336]",LDA,23.5189917898672,0.0125662772105216,6.0,1.0,3.7358195356220354,-3.7358195356220354,v0,bcc,22.6403647,0.1358739895,"[19.2883078009, 19.4913426199, 19.6943774388, 19.8974122578, 20.1004470767, 20.3034818957, 20.5065167146, 20.7095515336, 20.9125863526, 21.1156211715, 21.3186559905]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55670495, -0.57239211, -0.5867595800000001, -0.59988484, -0.61183926, -0.62269743, -0.63251384, -0.64136061, -0.64930281, -0.6564, -0.66268491]",LDA,23.5189917898672,0.0125662772105216,28.0,1.0,0.16514769048873823,-0.16514769048873823,v0,bcc,23.4801507181,0.0149026089,"[19.3416022486, 19.5451980618, 19.7487938749, 19.952389688, 20.1559855012, 20.3595813143, 20.5631771275, 20.7667729406, 20.9703687538, 21.1739645669, 21.3775603801]" +59,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55800536, -0.57359514, -0.5878750500000001, -0.60092019, -0.6127973, -0.6235757, -0.63332713, -0.64210892, -0.6499843, -0.65700066, -0.66321297]",LDA,23.5189917898672,0.0125662772105216,48.0,1.0,0.33694812972953975,-0.33694812972953975,v0,bcc,23.4397449869,0.0088690112,"[19.3626286515, 19.5664457952, 19.7702629389, 19.9740800826, 20.1778972263, 20.38171437, 20.5855315137, 20.7893486574, 20.9931658011, 21.1969829448, 21.4008000885]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.5582574, -0.57383322, -0.58810016, -0.60113279, -0.6130030200000001, -0.62377362, -0.63351914, -0.64229347, -0.65015922, -0.65716831, -0.66337525]",LDA,23.5189917898672,0.0125662772105216,52.0,1.0,0.36356814710077373,-0.36356814710077373,v0,bcc,23.433484227199997,0.0090497404,"[19.3661427008, 19.5699968345, 19.7738509682, 19.9777051019, 20.1815592356, 20.3854133693, 20.589267503, 20.7931216367, 20.9969757704, 21.2008299041, 21.4046840378]" +61,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55045475, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485115, -0.65214121, -0.65862552]",LDA,23.5189917898672,0.0125662772105216,18.0,1.0,0.21881707229208097,-0.21881707229208097,v0,bcc,23.4675282206,0.0360005314,"[19.2664133376, 19.4692176885, 19.6720220394, 19.8748263903, 20.0776307412, 20.2804350922, 20.4832394431, 20.686043794, 20.8888481449, 21.0916524958, 21.2944568468]" +62,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.55560084, -0.57136214, -0.58579664, -0.5989815, -0.6109827, -0.62188391, -0.63175181, -0.64064426, -0.64861669, -0.65571601, -0.66201915]",LDA,23.5189917898672,0.0125662772105216,30.0,1.0,0.40024496461518627,-0.40024496461518627,v0,bcc,23.424858209499998,0.0081145222,"[19.3299465698, 19.5334196915, 19.7368928133, 19.9403659351, 20.1438390569, 20.3473121787, 20.5507853005, 20.7542584223, 20.9577315441, 21.1612046658, 21.3646777876]" +63,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55045474, -0.56638462, -0.5810211200000001, -0.59438936, -0.60657686, -0.61765044, -0.62768113, -0.63672488, -0.64485251, -0.65214121, -0.65862552]",LDA,23.5189917898672,0.0125662772105216,18.0,1.0,0.22294748148937682,-0.22294748148937682,v0,bcc,23.46655679,0.0353980427,"[19.2664191474, 19.4692235594, 19.6720279715, 19.8748323836, 20.0776367957, 20.2804412077, 20.4832456198, 20.6860500319, 20.888854444, 21.0916588561, 21.2944632681]" +64,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.53368374, -0.55037438, -0.56568391, -0.57970041, -0.59250494, -0.60416921, -0.61476822, -0.62477214, -0.6336309, -0.64160736, -0.64875735]",LDA,23.5189917898672,0.0125662772105216,12.0,1.0,2.24959733886529,2.24959733886529,v0,bcc,24.0480744033,0.38051035780000003,"[19.1021425961, 19.3032177813, 19.5042929665, 19.7053681517, 19.906443337, 20.1075185222, 20.3085937074, 20.5096688926, 20.7107440779, 20.9118192631, 21.1128944483]" +65,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5562488800000001, -0.5719541, -0.58634184, -0.5994929, -0.61147881, -0.62236556, -0.6322188, -0.6410930300000001, -0.64904783, -0.65613529, -0.66241755]",LDA,23.5189917898672,0.0125662772105216,32.0,1.0,0.5931100402326717,-0.5931100402326717,v0,bcc,23.3794982882,0.0076117999,"[19.3393043248, 19.5428759492, 19.7464475737, 19.9500191982, 20.153590822600002, 20.3571624471, 20.5607340716, 20.7643056961, 20.9678773205, 21.171448945, 21.3750205695]" +66,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.55746393, -0.57311099, -0.58743315, -0.60051568, -0.61243333, -0.62325501, -0.63304374, -0.64186119, -0.64976556, -0.65681297, -0.66305926]",LDA,23.5189917898672,0.0125662772105216,40.0,1.0,0.3224274430839808,-0.3224274430839808,v0,bcc,23.443160106,0.006665317600000001,"[19.3552010644, 19.5589400229, 19.7626789815, 19.9664179401, 20.1701568987, 20.3738958572, 20.5776348158, 20.7813737744, 20.985112733, 21.1888516915, 21.3925906501]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61022771, -0.62605669, -0.64051974, -0.65369759, -0.66566654, -0.6764979600000001, -0.6862554200000001, -0.69500768, -0.70281822, -0.70972864, -0.71579971]",LDA,44.80180214553061,0.10261829098472802,28.0,1.0,2.5516717397151627,-2.5516717397151627,B,fcc,43.6586072213,0.1309948768,"[19.0946704514, 19.2956669825, 19.4966635135, 19.6976600446, 19.8986565757, 20.0996531067, 20.3006496378, 20.5016461689, 20.7026427, 20.903639231, 21.1046357621]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6017566400000001, -0.61784302, -0.63253664, -0.64593139, -0.65808588, -0.66908678, -0.67909695, -0.68826827, -0.69646515, -0.70374996, -0.7101724700000001]",LDA,44.80180214553061,0.10261829098472802,12.0,1.0,28.06563063152354,-28.06563063152354,B,fcc,32.2278938391,3.6687359138,"[19.0571826744, 19.2577845973, 19.4583865202, 19.6589884431, 19.859590366, 20.0601922888, 20.2607942117, 20.4613961346, 20.6619980575, 20.8625999804, 21.0632019033]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53533544, -0.55559495, -0.5742053500000001, -0.59134994, -0.60702089, -0.62134498, -0.63444713, -0.6463253999999999, -0.65704459, -0.66672085, -0.67532175]",LDA,44.80180214553061,0.10261829098472802,4.0,1.0,17.38955972722317,17.38955972722317,B,fcc,52.592638288500005,1.1921444316,"[18.4193001563, 18.6131875263, 18.8070748964, 19.0009622665, 19.1948496365, 19.3887370066, 19.5826243767, 19.7765117467, 19.9703991168, 20.1642864869, 20.3581738569]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61069742, -0.62653003, -0.64099451, -0.65417138, -0.66614021, -0.67696965, -0.68672358, -0.69546632, -0.70325759, -0.7101499800000001, -0.71619663]",LDA,44.80180214553061,0.10261829098472802,56.0,1.0,0.3047494915206835,-0.3047494915206835,B,fcc,44.6652688813,0.08073086019999999,"[19.0981203295, 19.2991531751, 19.5001860207, 19.7012188662, 19.9022517118, 20.1032845574, 20.304317403, 20.5053502485, 20.7063830941, 20.9074159397, 21.1084487853]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61080969, -0.6266288600000001, -0.64107956, -0.65424023, -0.66619235, -0.67700818, -0.68675185, -0.6954920800000001, -0.70327586, -0.71015489, -0.71619712]",LDA,44.80180214553061,0.10261829098472802,42.0,1.0,0.6438373806786359,-0.6438373806786359,B,fcc,44.5133513961,0.1578762313,"[19.1002263878, 19.3012814024, 19.502336417, 19.7033914316, 19.9044464462, 20.1055014608, 20.3065564754, 20.50761149, 20.7086665047, 20.9097215193, 21.1107765339]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61085255, -0.6266754800000001, -0.64112944, -0.65429543, -0.66625217, -0.6770682100000001, -0.68681021, -0.69554752, -0.70333121, -0.71021394, -0.71625238]",LDA,44.80180214553061,0.10261829098472802,52.0,1.0,0.7903291097095602,-0.7903291097095602,B,fcc,44.4477204615,0.0681991138,"[19.1003657853, 19.3014222672, 19.5024787492, 19.7035352311, 19.9045917131, 20.105648195, 20.306704677, 20.5077611589, 20.7088176409, 20.9098741228, 21.1109306048]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6106110100000001, -0.62642937, -0.64087446, -0.65404037, -0.6660028100000001, -0.67683291, -0.6865861600000001, -0.69532753, -0.70311657, -0.71001502, -0.7160701700000001]",LDA,44.80180214553061,0.10261829098472802,38.0,1.0,0.2618054495879305,-0.2618054495879305,B,fcc,44.68450858600001,0.2316884886,"[19.0980177306, 19.2990494962, 19.5000812618, 19.7011130273, 19.9021447929, 20.1031765585, 20.3042083241, 20.5052400897, 20.7062718553, 20.9073036209, 21.1083353864]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093239, -0.62674653, -0.64119506, -0.65435241, -0.66630118, -0.67711348, -0.68685008, -0.69558192, -0.70336186, -0.7102408, -0.7162729600000001]",LDA,44.80180214553061,0.10261829098472802,58.0,1.0,0.6996167060701026,-0.6996167060701026,B,fcc,44.4883612531,0.0836165697,"[19.1013799893, 19.3024471471, 19.5035143049, 19.7045814627, 19.9056486204, 20.1067157782, 20.307782936, 20.5088500938, 20.7099172516, 20.9109844093, 21.1120515671]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61000074, -0.62579169, -0.6402144, -0.65335403, -0.6652876600000001, -0.67609487, -0.68583404, -0.69457411, -0.70238268, -0.70929959, -0.71539137]",LDA,44.80180214553061,0.10261829098472802,22.0,1.0,6.5207777038541455,-6.5207777038541455,B,fcc,41.8803762203,0.11342872,"[19.1010858418, 19.3021499033, 19.5032139648, 19.7042780263, 19.9053420878, 20.1064061493, 20.3074702108, 20.5085342723, 20.7095983338, 20.9106623953, 21.1117264567]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60555428, -0.62144083, -0.63595235, -0.64918277, -0.6613281999999999, -0.67258821, -0.6828079300000001, -0.6920155100000001, -0.7002508, -0.7075870200000001, -0.71406205]",LDA,44.80180214553061,0.10261829098472802,10.0,1.0,16.416699949653967,16.416699949653967,B,fcc,52.1567795758,5.0000216069,"[19.0854171506, 19.2863162785, 19.4872154064, 19.6881145343, 19.8890136622, 20.0899127901, 20.290811918, 20.4917110459, 20.6926101738, 20.8935093017, 21.0944084296]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61095672, -0.62676857, -0.64121938, -0.65437973, -0.6663302999999999, -0.67714319, -0.68688058, -0.69560986, -0.70338683, -0.71026407, -0.71629389]",LDA,44.80180214553061,0.10261829098472802,68.0,1.0,0.17323017002420035,-0.17323017002420035,B,fcc,44.7241919075,0.0810477941,"[19.1015932479, 19.3026626506, 19.5037320532, 19.7048014558, 19.9058708584, 20.106940261, 20.3080096636, 20.5090790662, 20.7101484688, 20.9112178714, 21.112287274]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062843, -0.62645352, -0.64091911, -0.65411169, -0.66610043, -0.67694444, -0.68671456, -0.69547753, -0.70328278, -0.71018389, -0.7162356400000001]",LDA,44.80180214553061,0.10261829098472802,30.0,1.0,2.801936941714347,2.801936941714347,B,fcc,46.0571203904,0.1734770846,"[19.0961432534, 19.2971552876, 19.4981673219, 19.6991793561, 19.9001913904, 20.1012034246, 20.3022154589, 20.5032274931, 20.7042395274, 20.9052515616, 21.1062635959]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61058746, -0.62642043, -0.64088328, -0.65405974, -0.6660261, -0.67685142, -0.68659899, -0.69534073, -0.703128, -0.71002449, -0.71607849]",LDA,44.80180214553061,0.10261829098472802,34.0,1.0,1.7811283388523613,-1.7811283388523613,B,fcc,44.0038245512,0.1806401964,"[19.096863854, 19.2978834736, 19.4989030931, 19.6999227126, 19.9009423321, 20.1019619516, 20.3029815711, 20.5040011907, 20.7050208102, 20.9060404297, 21.1070600492]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61070798, -0.62653639, -0.64099635, -0.65416683, -0.66613109, -0.67695496, -0.68670566, -0.6954484, -0.70323998, -0.71013389, -0.7161818600000001]",LDA,44.80180214553061,0.10261829098472802,54.0,1.0,1.0482032863435948,-1.0482032863435948,B,fcc,44.3321881831,0.0445985137,"[19.0984312018, 19.2994673198, 19.5005034377, 19.7015395556, 19.9025756735, 20.1036117914, 20.3046479093, 20.5056840272, 20.7067201452, 20.9077562631, 21.108792381]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082158, -0.62664339, -0.64109312, -0.65425366, -0.66620611, -0.6770244400000001, -0.68678413, -0.69553348, -0.7033237, -0.71021248, -0.71625479]",LDA,44.80180214553061,0.10261829098472802,36.0,1.0,0.043149582393608985,-0.043149582393608985,B,fcc,44.782470355,0.34979273510000003,"[19.0993032993, 19.3003485972, 19.5013938951, 19.702439192900002, 19.9034844908, 20.1045297887, 20.3055750866, 20.5066203845, 20.7076656824, 20.9087109803, 21.1097562782]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60977693, -0.62567754, -0.64020415, -0.65343935, -0.66546023, -0.6763363, -0.68614653, -0.69495416, -0.70278921, -0.70971851, -0.71581392]",LDA,44.80180214553061,0.10261829098472802,24.0,1.0,0.2843739573617081,-0.2843739573617081,B,fcc,44.6743974878,0.3251603111,"[19.0853466627, 19.2862450486, 19.4871434345, 19.6880418204, 19.8889402064, 20.0898385923, 20.2907369782, 20.4916353641, 20.69253375, 20.893432136, 21.0943305219]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61030299, -0.6258944, -0.64015636, -0.65316649, -0.66499629, -0.67570943, -0.68537209, -0.69410706, -0.70191814, -0.70884068, -0.71492592]",LDA,44.80180214553061,0.10261829098472802,16.0,1.0,9.407950897241053,-9.407950897241053,B,fcc,40.5868705986,0.8904833404000001,"[19.1366367768, 19.3380750586, 19.5395133405, 19.7409516224, 19.9423899042, 20.1438281861, 20.3452664679, 20.5467047498, 20.7481430317, 20.9495813135, 21.1510195954]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60821482, -0.62418609, -0.63877599, -0.65207077, -0.66414283, -0.67503507, -0.68486747, -0.6937220900000001, -0.70161069, -0.70859238, -0.71471568]",LDA,44.80180214553061,0.10261829098472802,18.0,1.0,5.150556636170509,-5.150556636170509,B,fcc,42.494259952,0.7786530708,"[19.068552131, 19.2692737324, 19.4699953337, 19.6707169351, 19.8714385365, 20.0721601379, 20.2728817393, 20.4736033406, 20.674324942, 20.8750465434, 21.0757681448]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61051574, -0.62636414, -0.64083126, -0.6540125800000001, -0.66597609, -0.67679128, -0.6865499700000001, -0.6953114300000001, -0.7031162, -0.71001537, -0.71606138]",LDA,44.80180214553061,0.10261829098472802,26.0,1.0,2.404282944091499,-2.404282944091499,B,fcc,43.7246400579,0.4916971273,"[19.0984131766, 19.2994491048, 19.500485033, 19.7015209611, 19.9025568893, 20.1035928175, 20.3046287457, 20.5056646738, 20.706700602, 20.9077365302, 21.1087724584]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61087263, -0.62668963, -0.64114103, -0.6543082, -0.66626219, -0.67708056, -0.68682288, -0.69555703, -0.70333935, -0.71022342, -0.71626022]",LDA,44.80180214553061,0.10261829098472802,70.0,1.0,0.35484021471771937,-0.35484021471771937,B,fcc,44.6428273346,0.07403177059999999,"[19.1003683282, 19.3014248369, 19.5024813457, 19.7035378544, 19.9045943631, 20.1056508718, 20.3067073805, 20.5077638893, 20.708820398, 20.9098769067, 21.1109334154]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61071754, -0.62654868, -0.64101445, -0.65419263, -0.66615935, -0.6769868800000001, -0.68673874, -0.6954794, -0.70326568, -0.71015794, -0.71620321]",LDA,44.80180214553061,0.10261829098472802,60.0,1.0,0.48860178150768657,-0.48860178150768657,B,fcc,44.5828997421,0.1299210089,"[19.0985159631, 19.2995529733, 19.5005899834, 19.7016269935, 19.9026640037, 20.1037010138, 20.3047380239, 20.5057750341, 20.7068120442, 20.9078490544, 21.1088860645]" +21,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5859752500000001, -0.6043145400000001, -0.62117946, -0.63663525, -0.65080891, -0.66375429, -0.67551443, -0.68620387, -0.69583446, -0.7045073900000001, -0.71225644]",LDA,44.80180214553061,0.10261829098472802,8.0,1.0,1.7320100601060298,1.7320100601060298,B,fcc,45.5777738658,0.4773738789,"[18.7055034874, 18.9024035241, 19.0993035608, 19.2962035975, 19.4931036342, 19.6900036709, 19.8869037076, 20.0838037444, 20.2807037811, 20.4776038178, 20.6745038545]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61078091, -0.62660486, -0.64106237, -0.65423421, -0.66619741, -0.67702112, -0.68677407, -0.69551883, -0.70330999, -0.71019809, -0.7162394400000001]",LDA,44.80180214553061,0.10261829098472802,46.0,1.0,0.22386652292155407,0.22386652292155407,B,fcc,44.9020983822,0.0670918825,"[19.0992423607, 19.3002870171, 19.5013316735, 19.70237633, 19.9034209864, 20.1044656428, 20.3055102993, 20.5065549557, 20.7075996121, 20.9086442685, 21.109688925]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60710545, -0.62331791, -0.63815935, -0.65169754, -0.66400072, -0.6751504500000001, -0.68520881, -0.69423912, -0.70229524, -0.70943256, -0.71570666]",LDA,44.80180214553061,0.10261829098472802,14.0,1.0,3.4704536630442253,3.4704536630442253,B,fcc,46.3566279292,0.1717463414,"[19.0292702301, 19.2295783378, 19.4298864455, 19.6301945532, 19.8305026608, 20.0308107685, 20.2311188762, 20.4314269839, 20.6317350916, 20.8320431993, 21.0323513069]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61079048, -0.62656055, -0.64098526, -0.65413216, -0.6660792999999999, -0.67688274, -0.68661584, -0.69535184, -0.70312692, -0.71001519, -0.7160782800000001]",LDA,44.80180214553061,0.10261829098472802,32.0,1.0,0.978171965509492,-0.978171965509492,B,fcc,44.3635634769,0.4550018581000001,"[19.1015245742, 19.3025932539, 19.5036619336, 19.7047306134, 19.9057992931, 20.1068679728, 20.3079366525, 20.5090053323, 20.710074012, 20.9111426917, 21.1122113715]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61047554, -0.62632171, -0.64080017, -0.6539902, -0.6659687999999999, -0.67680605, -0.68656635, -0.69531447, -0.7031152700000001, -0.71002052, -0.71608201]",LDA,44.80180214553061,0.10261829098472802,44.0,1.0,1.6847701808484283,-1.6847701808484283,B,fcc,44.0469947425,0.1874377249,"[19.0957403156, 19.2967481084, 19.4977559012, 19.698763694, 19.8997714868, 20.1007792796, 20.3017870723, 20.5027948651, 20.7038026579, 20.9048104507, 21.1058182435]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082033, -0.62663736, -0.64108405, -0.65424266, -0.6661914999999999, -0.67700223, -0.68674103, -0.69547727, -0.70326371, -0.71015605, -0.71620525]",LDA,44.80180214553061,0.10261829098472802,48.0,1.0,2.723327465639264,-2.723327465639264,B,fcc,43.58170236260001,0.0524328464,"[19.1000189794, 19.3010718107, 19.5021246421, 19.7031774735, 19.9042303048, 20.1052831362, 20.3063359675, 20.5073887989, 20.7084416303, 20.9094944616, 21.110547293]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6107615, -0.62659149, -0.64105594, -0.6542305700000001, -0.6661948999999999, -0.67701974, -0.68677012, -0.69550766, -0.70329126, -0.71018081, -0.7162229999999999]",LDA,44.80180214553061,0.10261829098472802,66.0,1.0,0.5007996658299417,-0.5007996658299417,B,fcc,44.5774348701,0.1154471362,"[19.0989906574, 19.3000326643, 19.5010746712, 19.7021166781, 19.903158685, 20.104200692, 20.3052426989, 20.5062847058, 20.7073267127, 20.9083687196, 21.1094107266]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062768, -0.6264621, -0.64092843, -0.65410729, -0.66607536, -0.67691041, -0.6866689300000001, -0.69541992, -0.70321608, -0.71011394, -0.71616975]",LDA,44.80180214553061,0.10261829098472802,40.0,1.0,0.6064721154475149,-0.6064721154475149,B,fcc,44.5300917083,0.0873138368,"[19.0971254203, 19.2981477931, 19.499170166, 19.7001925388, 19.9012149117, 20.1022372845, 20.3032596574, 20.5042820302, 20.7053044031, 20.9063267759, 21.1073491488]" +29,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61056063, -0.62640421, -0.64087803, -0.65406494, -0.66604156, -0.676877, -0.68663858, -0.69538786, -0.70318396, -0.71008223, -0.71613567]",LDA,44.80180214553061,0.10261829098472802,50.0,1.0,0.4882479506517576,-0.4882479506517576,B,fcc,44.5830582647,0.0902752332,"[19.0964032333, 19.2974180041, 19.498432775, 19.6994475459, 19.9004623168, 20.1014770876, 20.3024918585, 20.5035066294, 20.7045214003, 20.9055361712, 21.106550942]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093008, -0.62674233, -0.64118955, -0.65435109, -0.66629976, -0.6771089100000001, -0.68684722, -0.69557684, -0.70335803, -0.7102404800000001, -0.7162771]",LDA,44.80180214553061,0.10261829098472802,64.0,1.0,1.226911160727601,-1.226911160727601,B,fcc,44.252123834799995,0.0907913763,"[19.1011604649, 19.3022253119, 19.5032901589, 19.7043550059, 19.9054198529, 20.1064846999, 20.3075495469, 20.5086143939, 20.7096792409, 20.9107440879, 21.1118089349]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60984115, -0.6257531, -0.64031088, -0.65357721, -0.66564156, -0.6765743, -0.68643389, -0.69527148, -0.70314343, -0.71010995, -0.7162195100000001]",LDA,44.80180214553061,0.10261829098472802,20.0,1.0,4.846880680191619,4.846880680191619,B,fcc,46.973292038100006,0.2361665919,"[19.082371747, 19.2832388181, 19.4841058891, 19.6849729601, 19.8858400311, 20.0867071022, 20.2875741732, 20.4884412442, 20.6893083152, 20.8901753862, 21.0910424573]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61092944, -0.6267439, -0.64119137, -0.65435166, -0.66630365, -0.67711856, -0.68685981, -0.69559162, -0.70337035, -0.71024937, -0.71628099]",LDA,44.80180214553061,0.10261829098472802,62.0,1.0,0.07075356336430323,0.07075356336430323,B,fcc,44.833501016999996,0.0279391584,"[19.1011109606, 19.3021752865, 19.5032396124, 19.7043039383, 19.9053682642, 20.1064325901, 20.307496916, 20.5085612419, 20.7096255678, 20.9106898937, 21.1117542196]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61022771, -0.62605669, -0.64051974, -0.65369759, -0.66566654, -0.6764979600000001, -0.6862554200000001, -0.69500768, -0.70281822, -0.70972864, -0.71579971]",LDA,-0.7392408004193249,3.6148462371848796e-05,28.0,1.0,-0.024398244871323995,0.024398244871323995,E0,fcc,-0.7394211622,4.94474e-05,"[19.0946704514, 19.2956669825, 19.4966635135, 19.6976600446, 19.8986565757, 20.0996531067, 20.3006496378, 20.5016461689, 20.7026427, 20.903639231, 21.1046357621]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6017566400000001, -0.61784302, -0.63253664, -0.64593139, -0.65808588, -0.66908678, -0.67909695, -0.68826827, -0.69646515, -0.70374996, -0.7101724700000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,12.0,1.0,-0.4265527794037395,0.4265527794037395,E0,fcc,-0.7423940526,0.0020162118,"[19.0571826744, 19.2577845973, 19.4583865202, 19.6589884431, 19.859590366, 20.0601922888, 20.2607942117, 20.4613961346, 20.6619980575, 20.8625999804, 21.0632019033]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53533544, -0.55559495, -0.5742053500000001, -0.59134994, -0.60702089, -0.62134498, -0.63444713, -0.6463253999999999, -0.65704459, -0.66672085, -0.67532175]",LDA,-0.7392408004193249,3.6148462371848796e-05,4.0,1.0,-3.1114504375675445,-3.1114504375675445,E0,fcc,-0.7162396893,0.0005695604,"[18.4193001563, 18.6131875263, 18.8070748964, 19.0009622665, 19.1948496365, 19.3887370066, 19.5826243767, 19.7765117467, 19.9703991168, 20.1642864869, 20.3581738569]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61069742, -0.62653003, -0.64099451, -0.65417138, -0.66614021, -0.67696965, -0.68672358, -0.69546632, -0.70325759, -0.7101499800000001, -0.71619663]",LDA,-0.7392408004193249,3.6148462371848796e-05,56.0,1.0,-0.007014234150175243,0.007014234150175243,E0,fcc,-0.7392926525,2.9651600000000013e-05,"[19.0981203295, 19.2991531751, 19.5001860207, 19.7012188662, 19.9022517118, 20.1032845574, 20.304317403, 20.5053502485, 20.7063830941, 20.9074159397, 21.1084487853]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61080969, -0.6266288600000001, -0.64107956, -0.65424023, -0.66619235, -0.67700818, -0.68675185, -0.6954920800000001, -0.70327586, -0.71015489, -0.71619712]",LDA,-0.7392408004193249,3.6148462371848796e-05,42.0,1.0,-0.008882596934290799,0.008882596934290799,E0,fcc,-0.7393064642,5.81233e-05,"[19.1002263878, 19.3012814024, 19.502336417, 19.7033914316, 19.9044464462, 20.1055014608, 20.3065564754, 20.50761149, 20.7086665047, 20.9097215193, 21.1107765339]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61085255, -0.6266754800000001, -0.64112944, -0.65429543, -0.66625217, -0.6770682100000001, -0.68681021, -0.69554752, -0.70333121, -0.71021394, -0.71625238]",LDA,-0.7392408004193249,3.6148462371848796e-05,52.0,1.0,-0.016819658845192254,0.016819658845192254,E0,fcc,-0.7393651381999999,2.51274e-05,"[19.1003657853, 19.3014222672, 19.5024787492, 19.7035352311, 19.9045917131, 20.105648195, 20.306704677, 20.5077611589, 20.7088176409, 20.9098741228, 21.1109306048]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6106110100000001, -0.62642937, -0.64087446, -0.65404037, -0.6660028100000001, -0.67683291, -0.6865861600000001, -0.69532753, -0.70311657, -0.71001502, -0.7160701700000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,38.0,1.0,-0.0020066965076203027,-0.0020066965076203027,E0,fcc,-0.7392259661,8.52578e-05,"[19.0980177306, 19.2990494962, 19.5000812618, 19.7011130273, 19.9021447929, 20.1031765585, 20.3042083241, 20.5052400897, 20.7062718553, 20.9073036209, 21.1083353864]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093239, -0.62674653, -0.64119506, -0.65435241, -0.66630118, -0.67711348, -0.68685008, -0.69558192, -0.70336186, -0.7102408, -0.7162729600000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,58.0,1.0,-0.014129371730538671,0.014129371730538671,E0,fcc,-0.7393452505,3.07589e-05,"[19.1013799893, 19.3024471471, 19.5035143049, 19.7045814627, 19.9056486204, 20.1067157782, 20.307782936, 20.5088500938, 20.7099172516, 20.9109844093, 21.1120515671]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61000074, -0.62579169, -0.6402144, -0.65335403, -0.6652876600000001, -0.67609487, -0.68583404, -0.69457411, -0.70238268, -0.70929959, -0.71539137]",LDA,-0.7392408004193249,3.6148462371848796e-05,22.0,1.0,-0.07168009130102954,0.07168009130102954,E0,fcc,-0.7397706889,4.47517e-05,"[19.1010858418, 19.3021499033, 19.5032139648, 19.7042780263, 19.9053420878, 20.1064061493, 20.3074702108, 20.5085342723, 20.7095983338, 20.9106623953, 21.1117264567]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60555428, -0.62144083, -0.63595235, -0.64918277, -0.6613281999999999, -0.67258821, -0.6828079300000001, -0.6920155100000001, -0.7002508, -0.7075870200000001, -0.71406205]",LDA,-0.7392408004193249,3.6148462371848796e-05,10.0,1.0,-0.02745732927077873,0.02745732927077873,E0,fcc,-0.7394437762,0.0018133617000000001,"[19.0854171506, 19.2863162785, 19.4872154064, 19.6881145343, 19.8890136622, 20.0899127901, 20.290811918, 20.4917110459, 20.6926101738, 20.8935093017, 21.0944084296]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61095672, -0.62676857, -0.64121938, -0.65437973, -0.6663302999999999, -0.67714319, -0.68688058, -0.69560986, -0.70338683, -0.71026407, -0.71629389]",LDA,-0.7392408004193249,3.6148462371848796e-05,68.0,1.0,-0.002515578234396007,0.002515578234396007,E0,fcc,-0.7392593966000001,2.96382e-05,"[19.1015932479, 19.3026626506, 19.5037320532, 19.7048014558, 19.9058708584, 20.106940261, 20.3080096636, 20.5090790662, 20.7101484688, 20.9112178714, 21.112287274]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062843, -0.62645352, -0.64091911, -0.65411169, -0.66610043, -0.67694444, -0.68671456, -0.69547753, -0.70328278, -0.71018389, -0.7162356400000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,30.0,1.0,-0.035073431982903185,-0.035073431982903185,E0,fcc,-0.7389815233,6.206440000000001e-05,"[19.0961432534, 19.2971552876, 19.4981673219, 19.6991793561, 19.9001913904, 20.1012034246, 20.3022154589, 20.5032274931, 20.7042395274, 20.9052515616, 21.1062635959]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61058746, -0.62642043, -0.64088328, -0.65405974, -0.6660261, -0.67685142, -0.68659899, -0.69534073, -0.703128, -0.71002449, -0.71607849]",LDA,-0.7392408004193249,3.6148462371848796e-05,34.0,1.0,-0.02246453125705691,0.02246453125705691,E0,fcc,-0.7394068674000001,6.73224e-05,"[19.096863854, 19.2978834736, 19.4989030931, 19.6999227126, 19.9009423321, 20.1019619516, 20.3029815711, 20.5040011907, 20.7050208102, 20.9060404297, 21.1070600492]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61070798, -0.62653639, -0.64099635, -0.65416683, -0.66613109, -0.67695496, -0.68670566, -0.6954484, -0.70323998, -0.71013389, -0.7161818600000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,54.0,1.0,-0.022944902470038924,0.022944902470038924,E0,fcc,-0.7394104184999999,1.651e-05,"[19.0984312018, 19.2994673198, 19.5005034377, 19.7015395556, 19.9025756735, 20.1036117914, 20.3046479093, 20.5056840272, 20.7067201452, 20.9077562631, 21.108792381]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082158, -0.62664339, -0.64109312, -0.65425366, -0.66620611, -0.6770244400000001, -0.68678413, -0.69553348, -0.7033237, -0.71021248, -0.71625479]",LDA,-0.7392408004193249,3.6148462371848796e-05,36.0,1.0,-0.015904990715919564,0.015904990715919564,E0,fcc,-0.7393583765999999,0.0001283548,"[19.0993032993, 19.3003485972, 19.5013938951, 19.702439192900002, 19.9034844908, 20.1045297887, 20.3055750866, 20.5066203845, 20.7076656824, 20.9087109803, 21.1097562782]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60977693, -0.62567754, -0.64020415, -0.65343935, -0.66546023, -0.6763363, -0.68614653, -0.69495416, -0.70278921, -0.70971851, -0.71581392]",LDA,-0.7392408004193249,3.6148462371848796e-05,24.0,1.0,-0.0006169952568310694,0.0006169952568310694,E0,fcc,-0.7392453615000001,0.0001204988,"[19.0853466627, 19.2862450486, 19.4871434345, 19.6880418204, 19.8889402064, 20.0898385923, 20.2907369782, 20.4916353641, 20.69253375, 20.893432136, 21.0943305219]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61030299, -0.6258944, -0.64015636, -0.65316649, -0.66499629, -0.67570943, -0.68537209, -0.69410706, -0.70191814, -0.70884068, -0.71492592]",LDA,-0.7392408004193249,3.6148462371848796e-05,16.0,1.0,-0.12756066496061896,0.12756066496061896,E0,fcc,-0.7401837809,0.0003673363,"[19.1366367768, 19.3380750586, 19.5395133405, 19.7409516224, 19.9423899042, 20.1438281861, 20.3452664679, 20.5467047498, 20.7481430317, 20.9495813135, 21.1510195954]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60821482, -0.62418609, -0.63877599, -0.65207077, -0.66414283, -0.67503507, -0.68486747, -0.6937220900000001, -0.70161069, -0.70859238, -0.71471568]",LDA,-0.7392408004193249,3.6148462371848796e-05,18.0,1.0,-0.004419225684839838,-0.004419225684839838,E0,fcc,-0.7392081317,0.00030487470000000003,"[19.068552131, 19.2692737324, 19.4699953337, 19.6707169351, 19.8714385365, 20.0721601379, 20.2728817393, 20.4736033406, 20.674324942, 20.8750465434, 21.0757681448]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61051574, -0.62636414, -0.64083126, -0.6540125800000001, -0.66597609, -0.67679128, -0.6865499700000001, -0.6953114300000001, -0.7031162, -0.71001537, -0.71606138]",LDA,-0.7392408004193249,3.6148462371848796e-05,26.0,1.0,-0.04405305828498197,0.04405305828498197,E0,fcc,-0.7395664586,0.0001847644,"[19.0984131766, 19.2994491048, 19.500485033, 19.7015209611, 19.9025568893, 20.1035928175, 20.3046287457, 20.5056646738, 20.706700602, 20.9077365302, 21.1087724584]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61087263, -0.62668963, -0.64114103, -0.6543082, -0.66626219, -0.67708056, -0.68682288, -0.69555703, -0.70333935, -0.71022342, -0.71626022]",LDA,-0.7392408004193249,3.6148462371848796e-05,70.0,1.0,-0.008647977849552884,0.008647977849552884,E0,fcc,-0.7393047298000001,2.71612e-05,"[19.1003683282, 19.3014248369, 19.5024813457, 19.7035378544, 19.9045943631, 20.1056508718, 20.3067073805, 20.5077638893, 20.708820398, 20.9098769067, 21.1109334154]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61071754, -0.62654868, -0.64101445, -0.65419263, -0.66615935, -0.6769868800000001, -0.68673874, -0.6954794, -0.70326568, -0.71015794, -0.71620321]",LDA,-0.7392408004193249,3.6148462371848796e-05,60.0,1.0,-0.008293911894510024,0.008293911894510024,E0,fcc,-0.7393021124,4.77683e-05,"[19.0985159631, 19.2995529733, 19.5005899834, 19.7016269935, 19.9026640037, 20.1037010138, 20.3047380239, 20.5057750341, 20.7068120442, 20.9078490544, 21.1088860645]" +21,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5859752500000001, -0.6043145400000001, -0.62117946, -0.63663525, -0.65080891, -0.66375429, -0.67551443, -0.68620387, -0.69583446, -0.7045073900000001, -0.71225644]",LDA,-0.7392408004193249,3.6148462371848796e-05,8.0,1.0,-1.3164239277857803,1.3164239277857803,E0,fcc,-0.7489723432000001,0.000233405,"[18.7055034874, 18.9024035241, 19.0993035608, 19.2962035975, 19.4931036342, 19.6900036709, 19.8869037076, 20.0838037444, 20.2807037811, 20.4776038178, 20.6745038545]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61078091, -0.62660486, -0.64106237, -0.65423421, -0.66619741, -0.67702112, -0.68677407, -0.69551883, -0.70330999, -0.71019809, -0.7162394400000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,46.0,1.0,-0.00217280765156029,0.00217280765156029,E0,fcc,-0.7392568626999999,2.45198e-05,"[19.0992423607, 19.3002870171, 19.5013316735, 19.70237633, 19.9034209864, 20.1044656428, 20.3055102993, 20.5065549557, 20.7075996121, 20.9086442685, 21.109688925]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60710545, -0.62331791, -0.63815935, -0.65169754, -0.66400072, -0.6751504500000001, -0.68520881, -0.69423912, -0.70229524, -0.70943256, -0.71570666]",LDA,-0.7392408004193249,3.6148462371848796e-05,14.0,1.0,-0.09616422419756052,0.09616422419756052,E0,fcc,-0.7399516856,6.36412e-05,"[19.0292702301, 19.2295783378, 19.4298864455, 19.6301945532, 19.8305026608, 20.0308107685, 20.2311188762, 20.4314269839, 20.6317350916, 20.8320431993, 21.0323513069]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61079048, -0.62656055, -0.64098526, -0.65413216, -0.6660792999999999, -0.67688274, -0.68661584, -0.69535184, -0.70312692, -0.71001519, -0.7160782800000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,32.0,1.0,-0.011600060579239553,0.011600060579239553,E0,fcc,-0.7393265528,0.0001686252,"[19.1015245742, 19.3025932539, 19.5036619336, 19.7047306134, 19.9057992931, 20.1068679728, 20.3079366525, 20.5090053323, 20.710074012, 20.9111426917, 21.1122113715]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61047554, -0.62632171, -0.64080017, -0.6539902, -0.6659687999999999, -0.67680605, -0.68656635, -0.69531447, -0.7031152700000001, -0.71002052, -0.71608201]",LDA,-0.7392408004193249,3.6148462371848796e-05,44.0,1.0,-0.02933052133378906,0.02933052133378906,E0,fcc,-0.7394576236,6.99051e-05,"[19.0957403156, 19.2967481084, 19.4977559012, 19.698763694, 19.8997714868, 20.1007792796, 20.3017870723, 20.5027948651, 20.7038026579, 20.9048104507, 21.1058182435]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082033, -0.62663736, -0.64108405, -0.65424266, -0.6661914999999999, -0.67700223, -0.68674103, -0.69547727, -0.70326371, -0.71015605, -0.71620525]",LDA,-0.7392408004193249,3.6148462371848796e-05,48.0,1.0,-0.060285238642446747,0.060285238642446747,E0,fcc,-0.7396864535000001,1.9732e-05,"[19.1000189794, 19.3010718107, 19.5021246421, 19.7031774735, 19.9042303048, 20.1052831362, 20.3063359675, 20.5073887989, 20.7084416303, 20.9094944616, 21.110547293]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6107615, -0.62659149, -0.64105594, -0.6542305700000001, -0.6661948999999999, -0.67701974, -0.68677012, -0.69550766, -0.70329126, -0.71018081, -0.7162229999999999]",LDA,-0.7392408004193249,3.6148462371848796e-05,66.0,1.0,-0.00816104585147748,0.00816104585147748,E0,fcc,-0.7393011302,4.242350000000001e-05,"[19.0989906574, 19.3000326643, 19.5010746712, 19.7021166781, 19.903158685, 20.104200692, 20.3052426989, 20.5062847058, 20.7073267127, 20.9083687196, 21.1094107266]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062768, -0.6264621, -0.64092843, -0.65410729, -0.66607536, -0.67691041, -0.6866689300000001, -0.69541992, -0.70321608, -0.71011394, -0.71616975]",LDA,-0.7392408004193249,3.6148462371848796e-05,40.0,1.0,-0.018456513844689097,0.018456513844689097,E0,fcc,-0.7393772384999999,3.22271e-05,"[19.0971254203, 19.2981477931, 19.499170166, 19.7001925388, 19.9012149117, 20.1022372845, 20.3032596574, 20.5042820302, 20.7053044031, 20.9063267759, 21.1073491488]" +29,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61056063, -0.62640421, -0.64087803, -0.65406494, -0.66604156, -0.676877, -0.68663858, -0.69538786, -0.70318396, -0.71008223, -0.71613567]",LDA,-0.7392408004193249,3.6148462371848796e-05,50.0,1.0,-0.007367231441261374,0.007367231441261374,E0,fcc,-0.7392952620000001,3.32466e-05,"[19.0964032333, 19.2974180041, 19.498432775, 19.6994475459, 19.9004623168, 20.1014770876, 20.3024918585, 20.5035066294, 20.7045214003, 20.9055361712, 21.106550942]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093008, -0.62674233, -0.64118955, -0.65435109, -0.66629976, -0.6771089100000001, -0.68684722, -0.69557684, -0.70335803, -0.7102404800000001, -0.7162771]",LDA,-0.7392408004193249,3.6148462371848796e-05,64.0,1.0,-0.027740308781489476,0.027740308781489476,E0,fcc,-0.7394458681,3.35873e-05,"[19.1011604649, 19.3022253119, 19.5032901589, 19.7043550059, 19.9054198529, 20.1064846999, 20.3075495469, 20.5086143939, 20.7096792409, 20.9107440879, 21.1118089349]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60984115, -0.6257531, -0.64031088, -0.65357721, -0.66564156, -0.6765743, -0.68643389, -0.69527148, -0.70314343, -0.71010995, -0.7162195100000001]",LDA,-0.7392408004193249,3.6148462371848796e-05,20.0,1.0,-0.011945176629156812,-0.011945176629156812,E0,fcc,-0.7391524968000001,8.40162e-05,"[19.082371747, 19.2832388181, 19.4841058891, 19.6849729601, 19.8858400311, 20.0867071022, 20.2875741732, 20.4884412442, 20.6893083152, 20.8901753862, 21.0910424573]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61092944, -0.6267439, -0.64119137, -0.65435166, -0.66630365, -0.67711856, -0.68685981, -0.69559162, -0.70337035, -0.71024937, -0.71628099]",LDA,-0.7392408004193249,3.6148462371848796e-05,62.0,1.0,-0.0008506185428803978,-0.0008506185428803978,E0,fcc,-0.7392345123,1.02006e-05,"[19.1011109606, 19.3021752865, 19.5032396124, 19.7043039383, 19.9053682642, 20.1064325901, 20.307496916, 20.5085612419, 20.7096255678, 20.9106898937, 21.1117542196]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61022771, -0.62605669, -0.64051974, -0.65369759, -0.66566654, -0.6764979600000001, -0.6862554200000001, -0.69500768, -0.70281822, -0.70972864, -0.71579971]",LDA,4.96807663049147,0.0108760929690411,28.0,1.0,2.0207363004905723,2.0207363004905723,dB,fcc,5.0684683584,0.015629758100000002,"[19.0946704514, 19.2956669825, 19.4966635135, 19.6976600446, 19.8986565757, 20.0996531067, 20.3006496378, 20.5016461689, 20.7026427, 20.903639231, 21.1046357621]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6017566400000001, -0.61784302, -0.63253664, -0.64593139, -0.65808588, -0.66908678, -0.67909695, -0.68826827, -0.69646515, -0.70374996, -0.7101724700000001]",LDA,4.96807663049147,0.0108760929690411,12.0,1.0,21.472618650066984,21.472618650066984,dB,fcc,6.0348527796,0.426152819,"[19.0571826744, 19.2577845973, 19.4583865202, 19.6589884431, 19.859590366, 20.0601922888, 20.2607942117, 20.4613961346, 20.6619980575, 20.8625999804, 21.0632019033]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53533544, -0.55559495, -0.5742053500000001, -0.59134994, -0.60702089, -0.62134498, -0.63444713, -0.6463253999999999, -0.65704459, -0.66672085, -0.67532175]",LDA,4.96807663049147,0.0108760929690411,4.0,1.0,6.527980812554146,-6.527980812554146,dB,fcc,4.6437615413,0.103386467,"[18.4193001563, 18.6131875263, 18.8070748964, 19.0009622665, 19.1948496365, 19.3887370066, 19.5826243767, 19.7765117467, 19.9703991168, 20.1642864869, 20.3581738569]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61069742, -0.62653003, -0.64099451, -0.65417138, -0.66614021, -0.67696965, -0.68672358, -0.69546632, -0.70325759, -0.7101499800000001, -0.71619663]",LDA,4.96807663049147,0.0108760929690411,56.0,1.0,0.22478825990704418,0.22478825990704418,dB,fcc,4.9792442835,0.0096390936,"[19.0981203295, 19.2991531751, 19.5001860207, 19.7012188662, 19.9022517118, 20.1032845574, 20.304317403, 20.5053502485, 20.7063830941, 20.9074159397, 21.1084487853]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61080969, -0.6266288600000001, -0.64107956, -0.65424023, -0.66619235, -0.67700818, -0.68675185, -0.6954920800000001, -0.70327586, -0.71015489, -0.71619712]",LDA,4.96807663049147,0.0108760929690411,42.0,1.0,0.4497778208851757,0.4497778208851757,dB,fcc,4.9904219373,0.0188728456,"[19.1002263878, 19.3012814024, 19.502336417, 19.7033914316, 19.9044464462, 20.1055014608, 20.3065564754, 20.50761149, 20.7086665047, 20.9097215193, 21.1107765339]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61085255, -0.6266754800000001, -0.64112944, -0.65429543, -0.66625217, -0.6770682100000001, -0.68681021, -0.69554752, -0.70333121, -0.71021394, -0.71625238]",LDA,4.96807663049147,0.0108760929690411,52.0,1.0,0.7448807448219635,0.7448807448219635,dB,fcc,5.0050828767,0.0081518983,"[19.1003657853, 19.3014222672, 19.5024787492, 19.7035352311, 19.9045917131, 20.105648195, 20.306704677, 20.5077611589, 20.7088176409, 20.9098741228, 21.1109306048]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6106110100000001, -0.62642937, -0.64087446, -0.65404037, -0.6660028100000001, -0.67683291, -0.6865861600000001, -0.69532753, -0.70311657, -0.71001502, -0.7160701700000001]",LDA,4.96807663049147,0.0108760929690411,38.0,1.0,0.28699975970496777,-0.28699975970496777,dB,fcc,4.9538182625000005,0.0276727838,"[19.0980177306, 19.2990494962, 19.5000812618, 19.7011130273, 19.9021447929, 20.1031765585, 20.3042083241, 20.5052400897, 20.7062718553, 20.9073036209, 21.1083353864]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093239, -0.62674653, -0.64119506, -0.65435241, -0.66630118, -0.67711348, -0.68685008, -0.69558192, -0.70336186, -0.7102408, -0.7162729600000001]",LDA,4.96807663049147,0.0108760929690411,58.0,1.0,0.6073153969355287,0.6073153969355287,dB,fcc,4.9982485248,0.0100006823,"[19.1013799893, 19.3024471471, 19.5035143049, 19.7045814627, 19.9056486204, 20.1067157782, 20.307782936, 20.5088500938, 20.7099172516, 20.9109844093, 21.1120515671]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61000074, -0.62579169, -0.6402144, -0.65335403, -0.6652876600000001, -0.67609487, -0.68583404, -0.69457411, -0.70238268, -0.70929959, -0.71539137]",LDA,4.96807663049147,0.0108760929690411,22.0,1.0,5.171302057454676,5.171302057454676,dB,fcc,5.2249908795,0.0135665486,"[19.1010858418, 19.3021499033, 19.5032139648, 19.7042780263, 19.9053420878, 20.1064061493, 20.3074702108, 20.5085342723, 20.7095983338, 20.9106623953, 21.1117264567]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60555428, -0.62144083, -0.63595235, -0.64918277, -0.6613281999999999, -0.67258821, -0.6828079300000001, -0.6920155100000001, -0.7002508, -0.7075870200000001, -0.71406205]",LDA,4.96807663049147,0.0108760929690411,10.0,1.0,31.617785584279073,-31.617785584279073,dB,fcc,3.3972808138,0.5784186384000001,"[19.0854171506, 19.2863162785, 19.4872154064, 19.6881145343, 19.8890136622, 20.0899127901, 20.290811918, 20.4917110459, 20.6926101738, 20.8935093017, 21.0944084296]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61095672, -0.62676857, -0.64121938, -0.65437973, -0.6663302999999999, -0.67714319, -0.68688058, -0.69560986, -0.70338683, -0.71026407, -0.71629389]",LDA,4.96807663049147,0.0108760929690411,68.0,1.0,0.1529156628121117,0.1529156628121117,dB,fcc,4.975673597799999,0.009693361,"[19.1015932479, 19.3026626506, 19.5037320532, 19.7048014558, 19.9058708584, 20.106940261, 20.3080096636, 20.5090790662, 20.7101484688, 20.9112178714, 21.112287274]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062843, -0.62645352, -0.64091911, -0.65411169, -0.66610043, -0.67694444, -0.68671456, -0.69547753, -0.70328278, -0.71018389, -0.7162356400000001]",LDA,4.96807663049147,0.0108760929690411,30.0,1.0,3.409194354047513,-3.409194354047513,dB,fcc,4.7987052425000005,0.020681188,"[19.0961432534, 19.2971552876, 19.4981673219, 19.6991793561, 19.9001913904, 20.1012034246, 20.3022154589, 20.5032274931, 20.7042395274, 20.9052515616, 21.1062635959]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61058746, -0.62642043, -0.64088328, -0.65405974, -0.6660261, -0.67685142, -0.68659899, -0.69534073, -0.703128, -0.71002449, -0.71607849]",LDA,4.96807663049147,0.0108760929690411,34.0,1.0,1.7806596413103142,1.7806596413103142,dB,fcc,5.056541166000001,0.021572065,"[19.096863854, 19.2978834736, 19.4989030931, 19.6999227126, 19.9009423321, 20.1019619516, 20.3029815711, 20.5040011907, 20.7050208102, 20.9060404297, 21.1070600492]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61070798, -0.62653639, -0.64099635, -0.65416683, -0.66613109, -0.67695496, -0.68670566, -0.6954484, -0.70323998, -0.71013389, -0.7161818600000001]",LDA,4.96807663049147,0.0108760929690411,54.0,1.0,0.8692555353007579,0.8692555353007579,dB,fcc,5.0112619116,0.0053266908000000005,"[19.0984312018, 19.2994673198, 19.5005034377, 19.7015395556, 19.9025756735, 20.1036117914, 20.3046479093, 20.5056840272, 20.7067201452, 20.9077562631, 21.108792381]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082158, -0.62664339, -0.64109312, -0.65425366, -0.66620611, -0.6770244400000001, -0.68678413, -0.69553348, -0.7033237, -0.71021248, -0.71625479]",LDA,4.96807663049147,0.0108760929690411,36.0,1.0,0.47861115196037757,-0.47861115196037757,dB,fcc,4.9442988617,0.0417904018,"[19.0993032993, 19.3003485972, 19.5013938951, 19.702439192900002, 19.9034844908, 20.1045297887, 20.3055750866, 20.5066203845, 20.7076656824, 20.9087109803, 21.1097562782]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60977693, -0.62567754, -0.64020415, -0.65343935, -0.66546023, -0.6763363, -0.68614653, -0.69495416, -0.70278921, -0.70971851, -0.71581392]",LDA,4.96807663049147,0.0108760929690411,24.0,1.0,0.1576515700353858,0.1576515700353858,dB,fcc,4.9759088813000005,0.0386012242,"[19.0853466627, 19.2862450486, 19.4871434345, 19.6880418204, 19.8889402064, 20.0898385923, 20.2907369782, 20.4916353641, 20.69253375, 20.893432136, 21.0943305219]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61030299, -0.6258944, -0.64015636, -0.65316649, -0.66499629, -0.67570943, -0.68537209, -0.69410706, -0.70191814, -0.70884068, -0.71492592]",LDA,4.96807663049147,0.0108760929690411,16.0,1.0,4.121815950899954,4.121815950899954,dB,fcc,5.1728516055,0.1074613881,"[19.1366367768, 19.3380750586, 19.5395133405, 19.7409516224, 19.9423899042, 20.1438281861, 20.3452664679, 20.5467047498, 20.7481430317, 20.9495813135, 21.1510195954]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60821482, -0.62418609, -0.63877599, -0.65207077, -0.66414283, -0.67503507, -0.68486747, -0.6937220900000001, -0.70161069, -0.70859238, -0.71471568]",LDA,4.96807663049147,0.0108760929690411,18.0,1.0,5.520050915184876,5.520050915184876,dB,fcc,5.24231699,0.0919969997,"[19.068552131, 19.2692737324, 19.4699953337, 19.6707169351, 19.8714385365, 20.0721601379, 20.2728817393, 20.4736033406, 20.674324942, 20.8750465434, 21.0757681448]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61051574, -0.62636414, -0.64083126, -0.6540125800000001, -0.66597609, -0.67679128, -0.6865499700000001, -0.6953114300000001, -0.7031162, -0.71001537, -0.71606138]",LDA,4.96807663049147,0.0108760929690411,26.0,1.0,2.262517108102885,2.262517108102885,dB,fcc,5.0804802142000005,0.0586935903,"[19.0984131766, 19.2994491048, 19.500485033, 19.7015209611, 19.9025568893, 20.1035928175, 20.3046287457, 20.5056646738, 20.706700602, 20.9077365302, 21.1087724584]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61087263, -0.62668963, -0.64114103, -0.6543082, -0.66626219, -0.67708056, -0.68682288, -0.69555703, -0.70333935, -0.71022342, -0.71626022]",LDA,4.96807663049147,0.0108760929690411,70.0,1.0,0.24356415789290076,0.24356415789290076,dB,fcc,4.9801770845,0.0088495663,"[19.1003683282, 19.3014248369, 19.5024813457, 19.7035378544, 19.9045943631, 20.1056508718, 20.3067073805, 20.5077638893, 20.708820398, 20.9098769067, 21.1109334154]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61071754, -0.62654868, -0.64101445, -0.65419263, -0.66615935, -0.6769868800000001, -0.68673874, -0.6954794, -0.70326568, -0.71015794, -0.71620321]",LDA,4.96807663049147,0.0108760929690411,60.0,1.0,0.5067960718238625,0.5067960718238625,dB,fcc,4.9932546477,0.0155149839,"[19.0985159631, 19.2995529733, 19.5005899834, 19.7016269935, 19.9026640037, 20.1037010138, 20.3047380239, 20.5057750341, 20.7068120442, 20.9078490544, 21.1088860645]" +21,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5859752500000001, -0.6043145400000001, -0.62117946, -0.63663525, -0.65080891, -0.66375429, -0.67551443, -0.68620387, -0.69583446, -0.7045073900000001, -0.71225644]",LDA,4.96807663049147,0.0108760929690411,8.0,1.0,2.072349928332014,-2.072349928332014,dB,fcc,4.865120698,0.046628685,"[18.7055034874, 18.9024035241, 19.0993035608, 19.2962035975, 19.4931036342, 19.6900036709, 19.8869037076, 20.0838037444, 20.2807037811, 20.4776038178, 20.6745038545]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61078091, -0.62660486, -0.64106237, -0.65423421, -0.66619741, -0.67702112, -0.68677407, -0.69551883, -0.70330999, -0.71019809, -0.7162394400000001]",LDA,4.96807663049147,0.0108760929690411,46.0,1.0,0.47419081957959136,-0.47419081957959136,dB,fcc,4.9445184672,0.008013533199999999,"[19.0992423607, 19.3002870171, 19.5013316735, 19.70237633, 19.9034209864, 20.1044656428, 20.3055102993, 20.5065549557, 20.7075996121, 20.9086442685, 21.109688925]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60710545, -0.62331791, -0.63815935, -0.65169754, -0.66400072, -0.6751504500000001, -0.68520881, -0.69423912, -0.70229524, -0.70943256, -0.71570666]",LDA,4.96807663049147,0.0108760929690411,14.0,1.0,2.8936374392688937,-2.8936374392688937,dB,fcc,4.8243185051,0.019841658600000003,"[19.0292702301, 19.2295783378, 19.4298864455, 19.6301945532, 19.8305026608, 20.0308107685, 20.2311188762, 20.4314269839, 20.6317350916, 20.8320431993, 21.0323513069]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61079048, -0.62656055, -0.64098526, -0.65413216, -0.6660792999999999, -0.67688274, -0.68661584, -0.69535184, -0.70312692, -0.71001519, -0.7160782800000001]",LDA,4.96807663049147,0.0108760929690411,32.0,1.0,0.03548799746182065,0.03548799746182065,dB,fcc,4.9698397014,0.054444815,"[19.1015245742, 19.3025932539, 19.5036619336, 19.7047306134, 19.9057992931, 20.1068679728, 20.3079366525, 20.5090053323, 20.710074012, 20.9111426917, 21.1122113715]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61047554, -0.62632171, -0.64080017, -0.6539902, -0.6659687999999999, -0.67680605, -0.68656635, -0.69531447, -0.7031152700000001, -0.71002052, -0.71608201]",LDA,4.96807663049147,0.0108760929690411,44.0,1.0,1.707658889314223,1.707658889314223,dB,fcc,5.0529144327,0.0223576801,"[19.0957403156, 19.2967481084, 19.4977559012, 19.698763694, 19.8997714868, 20.1007792796, 20.3017870723, 20.5027948651, 20.7038026579, 20.9048104507, 21.1058182435]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082033, -0.62663736, -0.64108405, -0.65424266, -0.6661914999999999, -0.67700223, -0.68674103, -0.69547727, -0.70326371, -0.71015605, -0.71620525]",LDA,4.96807663049147,0.0108760929690411,48.0,1.0,2.461531618855732,2.461531618855732,dB,fcc,5.0903674076,0.0062692712,"[19.1000189794, 19.3010718107, 19.5021246421, 19.7031774735, 19.9042303048, 20.1052831362, 20.3063359675, 20.5073887989, 20.7084416303, 20.9094944616, 21.110547293]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6107615, -0.62659149, -0.64105594, -0.6542305700000001, -0.6661948999999999, -0.67701974, -0.68677012, -0.69550766, -0.70329126, -0.71018081, -0.7162229999999999]",LDA,4.96807663049147,0.0108760929690411,66.0,1.0,0.5614582882505059,0.5614582882505059,dB,fcc,4.9959703085000005,0.0137901386,"[19.0989906574, 19.3000326643, 19.5010746712, 19.7021166781, 19.903158685, 20.104200692, 20.3052426989, 20.5062847058, 20.7073267127, 20.9083687196, 21.1094107266]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062768, -0.6264621, -0.64092843, -0.65410729, -0.66607536, -0.67691041, -0.6866689300000001, -0.69541992, -0.70321608, -0.71011394, -0.71616975]",LDA,4.96807663049147,0.0108760929690411,40.0,1.0,0.3532014240850209,0.3532014240850209,dB,fcc,4.985623947900001,0.0104204971,"[19.0971254203, 19.2981477931, 19.499170166, 19.7001925388, 19.9012149117, 20.1022372845, 20.3032596574, 20.5042820302, 20.7053044031, 20.9063267759, 21.1073491488]" +29,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61056063, -0.62640421, -0.64087803, -0.65406494, -0.66604156, -0.676877, -0.68663858, -0.69538786, -0.70318396, -0.71008223, -0.71613567]",LDA,4.96807663049147,0.0108760929690411,50.0,1.0,0.4750549913759174,0.4750549913759174,dB,fcc,4.9916777265,0.0107703316,"[19.0964032333, 19.2974180041, 19.498432775, 19.6994475459, 19.9004623168, 20.1014770876, 20.3024918585, 20.5035066294, 20.7045214003, 20.9055361712, 21.106550942]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60984115, -0.6257531, -0.64031088, -0.65357721, -0.66564156, -0.6765743, -0.68643389, -0.69527148, -0.70314343, -0.71010995, -0.7162195100000001]",LDA,4.96807663049147,0.0108760929690411,20.0,1.0,5.735483666709904,-5.735483666709904,dB,fcc,4.6831334068,0.027923875,"[19.082371747, 19.2832388181, 19.4841058891, 19.6849729601, 19.8858400311, 20.0867071022, 20.2875741732, 20.4884412442, 20.6893083152, 20.8901753862, 21.0910424573]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093008, -0.62674233, -0.64118955, -0.65435109, -0.66629976, -0.6771089100000001, -0.68684722, -0.69557684, -0.70335803, -0.7102404800000001, -0.7162771]",LDA,4.96807663049147,0.0108760929690411,64.0,1.0,1.1190775936769415,1.1190775936769415,dB,fcc,5.0236732629,0.0108585663,"[19.1011604649, 19.3022253119, 19.5032901589, 19.7043550059, 19.9054198529, 20.1064846999, 20.3075495469, 20.5086143939, 20.7096792409, 20.9107440879, 21.1118089349]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61092944, -0.6267439, -0.64119137, -0.65435166, -0.66630365, -0.67711856, -0.68685981, -0.69559162, -0.70337035, -0.71024937, -0.71628099]",LDA,4.96807663049147,0.0108760929690411,62.0,1.0,0.1956214892463968,-0.1956214892463968,dB,fcc,4.958358005,0.0033409202000000003,"[19.1011109606, 19.3021752865, 19.5032396124, 19.7043039383, 19.9053682642, 20.1064325901, 20.307496916, 20.5085612419, 20.7096255678, 20.9106898937, 21.1117542196]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61022771, -0.62605669, -0.64051974, -0.65369759, -0.66566654, -0.6764979600000001, -0.6862554200000001, -0.69500768, -0.70281822, -0.70972864, -0.71579971]",LDA,22.897433945219397,0.00257758972604232,28.0,1.0,0.16203061866829144,0.16203061866829144,v0,fcc,22.9345347991,0.0040079096,"[19.0946704514, 19.2956669825, 19.4966635135, 19.6976600446, 19.8986565757, 20.0996531067, 20.3006496378, 20.5016461689, 20.7026427, 20.903639231, 21.1046357621]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6017566400000001, -0.61784302, -0.63253664, -0.64593139, -0.65808588, -0.66908678, -0.67909695, -0.68826827, -0.69646515, -0.70374996, -0.7101724700000001]",LDA,22.897433945219397,0.00257758972604232,12.0,1.0,2.4809459734207775,2.4809459734207775,v0,fcc,23.4655069107,0.1766299335,"[19.0571826744, 19.2577845973, 19.4583865202, 19.6589884431, 19.859590366, 20.0601922888, 20.2607942117, 20.4613961346, 20.6619980575, 20.8625999804, 21.0632019033]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.53533544, -0.55559495, -0.5742053500000001, -0.59134994, -0.60702089, -0.62134498, -0.63444713, -0.6463253999999999, -0.65704459, -0.66672085, -0.67532175]",LDA,22.897433945219397,0.00257758972604232,4.0,1.0,1.698209282095489,-1.698209282095489,v0,fcc,22.508587596599998,0.033532302800000004,"[18.4193001563, 18.6131875263, 18.8070748964, 19.0009622665, 19.1948496365, 19.3887370066, 19.5826243767, 19.7765117467, 19.9703991168, 20.1642864869, 20.3581738569]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61069742, -0.62653003, -0.64099451, -0.65417138, -0.66614021, -0.67696965, -0.68672358, -0.69546632, -0.70325759, -0.7101499800000001, -0.71619663]",LDA,22.897433945219397,0.00257758972604232,56.0,1.0,0.017666934165109928,0.017666934165109928,v0,fcc,22.9014792198,0.0023884488,"[19.0981203295, 19.2991531751, 19.5001860207, 19.7012188662, 19.9022517118, 20.1032845574, 20.304317403, 20.5053502485, 20.7063830941, 20.9074159397, 21.1084487853]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61080969, -0.6266288600000001, -0.64107956, -0.65424023, -0.66619235, -0.67700818, -0.68675185, -0.6954920800000001, -0.70327586, -0.71015489, -0.71619712]",LDA,22.897433945219397,0.00257758972604232,42.0,1.0,0.04188505534527717,0.04188505534527717,v0,fcc,22.9070245481,0.0046910942,"[19.1002263878, 19.3012814024, 19.502336417, 19.7033914316, 19.9044464462, 20.1055014608, 20.3065564754, 20.50761149, 20.7086665047, 20.9097215193, 21.1107765339]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61085255, -0.6266754800000001, -0.64112944, -0.65429543, -0.66625217, -0.6770682100000001, -0.68681021, -0.69554752, -0.70333121, -0.71021394, -0.71625238]",LDA,22.897433945219397,0.00257758972604232,52.0,1.0,0.04705119668159923,0.04705119668159923,v0,fcc,22.908207461900002,0.0020295423,"[19.1003657853, 19.3014222672, 19.5024787492, 19.7035352311, 19.9045917131, 20.105648195, 20.306704677, 20.5077611589, 20.7088176409, 20.9098741228, 21.1109306048]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6106110100000001, -0.62642937, -0.64087446, -0.65404037, -0.6660028100000001, -0.67683291, -0.6865861600000001, -0.69532753, -0.70311657, -0.71001502, -0.7160701700000001]",LDA,22.897433945219397,0.00257758972604232,38.0,1.0,0.028313428902603237,0.028313428902603237,v0,fcc,22.903916993899998,0.0068614329000000005,"[19.0980177306, 19.2990494962, 19.5000812618, 19.7011130273, 19.9021447929, 20.1031765585, 20.3042083241, 20.5052400897, 20.7062718553, 20.9073036209, 21.1083353864]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093239, -0.62674653, -0.64119506, -0.65435241, -0.66630118, -0.67711348, -0.68685008, -0.69558192, -0.70336186, -0.7102408, -0.7162729600000001]",LDA,22.897433945219397,0.00257758972604232,58.0,1.0,0.04274016251784692,0.04274016251784692,v0,fcc,22.9072203457,0.0024846658,"[19.1013799893, 19.3024471471, 19.5035143049, 19.7045814627, 19.9056486204, 20.1067157782, 20.307782936, 20.5088500938, 20.7099172516, 20.9109844093, 21.1120515671]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61000074, -0.62579169, -0.6402144, -0.65335403, -0.6652876600000001, -0.67609487, -0.68583404, -0.69457411, -0.70238268, -0.70929959, -0.71539137]",LDA,22.897433945219397,0.00257758972604232,22.0,1.0,0.46029487641609323,0.46029487641609323,v0,fcc,23.0028296605,0.0036812994,"[19.1010858418, 19.3021499033, 19.5032139648, 19.7042780263, 19.9053420878, 20.1064061493, 20.3074702108, 20.5085342723, 20.7095983338, 20.9106623953, 21.1117264567]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60555428, -0.62144083, -0.63595235, -0.64918277, -0.6613281999999999, -0.67258821, -0.6828079300000001, -0.6920155100000001, -0.7002508, -0.7075870200000001, -0.71406205]",LDA,22.897433945219397,0.00257758972604232,10.0,1.0,0.11005075319655572,-0.11005075319655572,v0,fcc,22.8722351467,0.1301808566,"[19.0854171506, 19.2863162785, 19.4872154064, 19.6881145343, 19.8890136622, 20.0899127901, 20.290811918, 20.4917110459, 20.6926101738, 20.8935093017, 21.0944084296]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61095672, -0.62676857, -0.64121938, -0.65437973, -0.6663302999999999, -0.67714319, -0.68688058, -0.69560986, -0.70338683, -0.71026407, -0.71629389]",LDA,22.897433945219397,0.00257758972604232,68.0,1.0,0.009198026668152356,0.009198026668152356,v0,fcc,22.8995400573,0.0023901744000000003,"[19.1015932479, 19.3026626506, 19.5037320532, 19.7048014558, 19.9058708584, 20.106940261, 20.3080096636, 20.5090790662, 20.7101484688, 20.9112178714, 21.112287274]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062843, -0.62645352, -0.64091911, -0.65411169, -0.66610043, -0.67694444, -0.68671456, -0.69547753, -0.70328278, -0.71018389, -0.7162356400000001]",LDA,22.897433945219397,0.00257758972604232,30.0,1.0,0.14426114427679862,-0.14426114427679862,v0,fcc,22.864401845,0.0049349167,"[19.0961432534, 19.2971552876, 19.4981673219, 19.6991793561, 19.9001913904, 20.1012034246, 20.3022154589, 20.5032274931, 20.7042395274, 20.9052515616, 21.1062635959]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61058746, -0.62642043, -0.64088328, -0.65405974, -0.6660261, -0.67685142, -0.68659899, -0.69534073, -0.703128, -0.71002449, -0.71607849]",LDA,22.897433945219397,0.00257758972604232,34.0,1.0,0.09719722364457534,0.09719722364457534,v0,fcc,22.9196896153,0.005452555600000001,"[19.096863854, 19.2978834736, 19.4989030931, 19.6999227126, 19.9009423321, 20.1019619516, 20.3029815711, 20.5040011907, 20.7050208102, 20.9060404297, 21.1070600492]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61070798, -0.62653639, -0.64099635, -0.65416683, -0.66613109, -0.67695496, -0.68670566, -0.6954484, -0.70323998, -0.71013389, -0.7161818600000001]",LDA,22.897433945219397,0.00257758972604232,54.0,1.0,0.0653182483958159,0.0653182483958159,v0,fcc,22.912390148000004,0.0013333777,"[19.0984312018, 19.2994673198, 19.5005034377, 19.7015395556, 19.9025756735, 20.1036117914, 20.3046479093, 20.5056840272, 20.7067201452, 20.9077562631, 21.108792381]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082158, -0.62664339, -0.64109312, -0.65425366, -0.66620611, -0.6770244400000001, -0.68678413, -0.69553348, -0.7033237, -0.71021248, -0.71625479]",LDA,22.897433945219397,0.00257758972604232,36.0,1.0,0.01808228245360808,0.01808228245360808,v0,fcc,22.9015743239,0.0103251936,"[19.0993032993, 19.3003485972, 19.5013938951, 19.702439192900002, 19.9034844908, 20.1045297887, 20.3055750866, 20.5066203845, 20.7076656824, 20.9087109803, 21.1097562782]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60977693, -0.62567754, -0.64020415, -0.65343935, -0.66546023, -0.6763363, -0.68614653, -0.69495416, -0.70278921, -0.70971851, -0.71581392]",LDA,22.897433945219397,0.00257758972604232,24.0,1.0,0.007112964205948188,0.007112964205948188,v0,fcc,22.8990626315,0.0096556276,"[19.0853466627, 19.2862450486, 19.4871434345, 19.6880418204, 19.8889402064, 20.0898385923, 20.2907369782, 20.4916353641, 20.69253375, 20.893432136, 21.0943305219]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61030299, -0.6258944, -0.64015636, -0.65316649, -0.66499629, -0.67570943, -0.68537209, -0.69410706, -0.70191814, -0.70884068, -0.71492592]",LDA,22.897433945219397,0.00257758972604232,16.0,1.0,0.9116999331891773,0.9116999331891773,v0,fcc,23.1061898352,0.030515142000000002,"[19.1366367768, 19.3380750586, 19.5395133405, 19.7409516224, 19.9423899042, 20.1438281861, 20.3452664679, 20.5467047498, 20.7481430317, 20.9495813135, 21.1510195954]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60821482, -0.62418609, -0.63877599, -0.65207077, -0.66414283, -0.67503507, -0.68486747, -0.6937220900000001, -0.70161069, -0.70859238, -0.71471568]",LDA,22.897433945219397,0.00257758972604232,18.0,1.0,0.25320043948727333,0.25320043948727333,v0,fcc,22.9554103486,0.024785357900000003,"[19.068552131, 19.2692737324, 19.4699953337, 19.6707169351, 19.8714385365, 20.0721601379, 20.2728817393, 20.4736033406, 20.674324942, 20.8750465434, 21.0757681448]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61051574, -0.62636414, -0.64083126, -0.6540125800000001, -0.66597609, -0.67679128, -0.6865499700000001, -0.6953114300000001, -0.7031162, -0.71001537, -0.71606138]",LDA,22.897433945219397,0.00257758972604232,26.0,1.0,0.15357038637924442,0.15357038637924442,v0,fcc,22.932597623000003,0.01498699,"[19.0984131766, 19.2994491048, 19.500485033, 19.7015209611, 19.9025568893, 20.1035928175, 20.3046287457, 20.5056646738, 20.706700602, 20.9077365302, 21.1087724584]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61087263, -0.62668963, -0.64114103, -0.6543082, -0.66626219, -0.67708056, -0.68682288, -0.69555703, -0.70333935, -0.71022342, -0.71626022]",LDA,22.897433945219397,0.00257758972604232,70.0,1.0,0.022287022173802174,0.022287022173802174,v0,fcc,22.9025371014,0.0021903151,"[19.1003683282, 19.3014248369, 19.5024813457, 19.7035378544, 19.9045943631, 20.1056508718, 20.3067073805, 20.5077638893, 20.708820398, 20.9098769067, 21.1109334154]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61071754, -0.62654868, -0.64101445, -0.65419263, -0.66615935, -0.6769868800000001, -0.68673874, -0.6954794, -0.70326568, -0.71015794, -0.71620321]",LDA,22.897433945219397,0.00257758972604232,60.0,1.0,0.02565560182269106,0.02565560182269106,v0,fcc,22.903308419699997,0.0038516159,"[19.0985159631, 19.2995529733, 19.5005899834, 19.7016269935, 19.9026640037, 20.1037010138, 20.3047380239, 20.5057750341, 20.7068120442, 20.9078490544, 21.1088860645]" +21,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.5859752500000001, -0.6043145400000001, -0.62117946, -0.63663525, -0.65080891, -0.66375429, -0.67551443, -0.68620387, -0.69583446, -0.7045073900000001, -0.71225644]",LDA,22.897433945219397,0.00257758972604232,8.0,1.0,0.11697814210746228,-0.11697814210746228,v0,fcc,22.870648952399996,0.015705346499999998,"[18.7055034874, 18.9024035241, 19.0993035608, 19.2962035975, 19.4931036342, 19.6900036709, 19.8869037076, 20.0838037444, 20.2807037811, 20.4776038178, 20.6745038545]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61078091, -0.62660486, -0.64106237, -0.65423421, -0.66619741, -0.67702112, -0.68677407, -0.69551883, -0.70330999, -0.71019809, -0.7162394400000001]",LDA,22.897433945219397,0.00257758972604232,46.0,1.0,0.005841910157251835,-0.005841910157251835,v0,fcc,22.8960962977,0.0019713871000000003,"[19.0992423607, 19.3002870171, 19.5013316735, 19.70237633, 19.9034209864, 20.1044656428, 20.3055102993, 20.5065549557, 20.7075996121, 20.9086442685, 21.109688925]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60710545, -0.62331791, -0.63815935, -0.65169754, -0.66400072, -0.6751504500000001, -0.68520881, -0.69423912, -0.70229524, -0.70943256, -0.71570666]",LDA,22.897433945219397,0.00257758972604232,14.0,1.0,0.2695244373978503,-0.2695244373978503,v0,fcc,22.8357197652,0.0049231819,"[19.0292702301, 19.2295783378, 19.4298864455, 19.6301945532, 19.8305026608, 20.0308107685, 20.2311188762, 20.4314269839, 20.6317350916, 20.8320431993, 21.0323513069]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61079048, -0.62656055, -0.64098526, -0.65413216, -0.6660792999999999, -0.67688274, -0.68661584, -0.69535184, -0.70312692, -0.71001519, -0.7160782800000001]",LDA,22.897433945219397,0.00257758972604232,32.0,1.0,0.08727577085017273,0.08727577085017273,v0,fcc,22.917417857199997,0.0136141744,"[19.1015245742, 19.3025932539, 19.5036619336, 19.7047306134, 19.9057992931, 20.1068679728, 20.3079366525, 20.5090053323, 20.710074012, 20.9111426917, 21.1122113715]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61047554, -0.62632171, -0.64080017, -0.6539902, -0.6659687999999999, -0.67680605, -0.68656635, -0.69531447, -0.7031152700000001, -0.71002052, -0.71608201]",LDA,22.897433945219397,0.00257758972604232,44.0,1.0,0.09583323281159413,0.09583323281159413,v0,fcc,22.9193772964,0.0056543299,"[19.0957403156, 19.2967481084, 19.4977559012, 19.698763694, 19.8997714868, 20.1007792796, 20.3017870723, 20.5027948651, 20.7038026579, 20.9048104507, 21.1058182435]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61082033, -0.62663736, -0.64108405, -0.65424266, -0.6661914999999999, -0.67700223, -0.68674103, -0.69547727, -0.70326371, -0.71015605, -0.71620525]",LDA,22.897433945219397,0.00257758972604232,48.0,1.0,0.1703451001274544,0.1703451001274544,v0,fcc,22.936438602,0.0016042480000000002,"[19.1000189794, 19.3010718107, 19.5021246421, 19.7031774735, 19.9042303048, 20.1052831362, 20.3063359675, 20.5073887989, 20.7084416303, 20.9094944616, 21.110547293]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6107615, -0.62659149, -0.64105594, -0.6542305700000001, -0.6661948999999999, -0.67701974, -0.68677012, -0.69550766, -0.70329126, -0.71018081, -0.7162229999999999]",LDA,22.897433945219397,0.00257758972604232,66.0,1.0,0.02479677239897418,0.02479677239897418,v0,fcc,22.9031117698,0.0034219137,"[19.0989906574, 19.3000326643, 19.5010746712, 19.7021166781, 19.903158685, 20.104200692, 20.3052426989, 20.5062847058, 20.7073267127, 20.9083687196, 21.1094107266]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61062768, -0.6264621, -0.64092843, -0.65410729, -0.66607536, -0.67691041, -0.6866689300000001, -0.69541992, -0.70321608, -0.71011394, -0.71616975]",LDA,22.897433945219397,0.00257758972604232,40.0,1.0,0.04148190493016016,0.04148190493016016,v0,fcc,22.906932237,0.0025965837,"[19.0971254203, 19.2981477931, 19.499170166, 19.7001925388, 19.9012149117, 20.1022372845, 20.3032596574, 20.5042820302, 20.7053044031, 20.9063267759, 21.1073491488]" +29,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61056063, -0.62640421, -0.64087803, -0.65406494, -0.66604156, -0.676877, -0.68663858, -0.69538786, -0.70318396, -0.71008223, -0.71613567]",LDA,22.897433945219397,0.00257758972604232,50.0,1.0,0.0249916776451528,0.0249916776451528,v0,fcc,22.9031563981,0.0026782809,"[19.0964032333, 19.2974180041, 19.498432775, 19.6994475459, 19.9004623168, 20.1014770876, 20.3024918585, 20.5035066294, 20.7045214003, 20.9055361712, 21.106550942]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61093008, -0.62674233, -0.64118955, -0.65435109, -0.66629976, -0.6771089100000001, -0.68684722, -0.69557684, -0.70335803, -0.7102404800000001, -0.7162771]",LDA,22.897433945219397,0.00257758972604232,64.0,1.0,0.07478178306603282,0.07478178306603282,v0,fcc,22.9145570546,0.0027179493,"[19.1011604649, 19.3022253119, 19.5032901589, 19.7043550059, 19.9054198529, 20.1064846999, 20.3075495469, 20.5086143939, 20.7096792409, 20.9107440879, 21.1118089349]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.60984115, -0.6257531, -0.64031088, -0.65357721, -0.66564156, -0.6765743, -0.68643389, -0.69527148, -0.70314343, -0.71010995, -0.7162195100000001]",LDA,22.897433945219397,0.00257758972604232,20.0,1.0,0.24427652702574054,-0.24427652702574054,v0,fcc,22.841500888800002,0.006583237600000001,"[19.082371747, 19.2832388181, 19.4841058891, 19.6849729601, 19.8858400311, 20.0867071022, 20.2875741732, 20.4884412442, 20.6893083152, 20.8901753862, 21.0910424573]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.61092944, -0.6267439, -0.64119137, -0.65435166, -0.66630365, -0.67711856, -0.68685981, -0.69559162, -0.70337035, -0.71024937, -0.71628099]",LDA,22.897433945219397,0.00257758972604232,62.0,1.0,0.0025015341053908715,-0.0025015341053908715,v0,fcc,22.8968611581,0.0008216166,"[19.1011109606, 19.3021752865, 19.5032396124, 19.7043039383, 19.9053682642, 20.1064325901, 20.307496916, 20.5085612419, 20.7096255678, 20.9106898937, 21.1117542196]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23149098, -1.2642749, -1.29416581, -1.32131552, -1.3458893299999999, -1.36803753, -1.38789556, -1.40560801, -1.42127966, -1.4350450399999999, -1.44701147]",LDA,43.4611788748696,0.113720875517381,30.0,1.0,13.938892832548763,13.938892832548763,B,hcp,49.519186022,0.1589518084,"[38.2485120602, 38.6511279766, 39.053743893, 39.4563598094, 39.8589757258, 40.2615916423, 40.6642075587, 41.0668234751, 41.4694393915, 41.872055308, 42.2746712244]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23530002, -1.26797696, -1.29775333, -1.32479537, -1.3492612099999999, -1.37129666, -1.39103753, -1.40863176, -1.42419749, -1.43785183, -1.44970142]",LDA,43.4611788748696,0.113720875517381,12.0,1.0,13.855599798311873,13.855599798311873,B,hcp,49.4829858874,0.1741256603,"[38.3930266961, 38.7971638192, 39.2013009423, 39.6054380654, 40.0095751886, 40.4137123117, 40.8178494348, 41.2219865579, 41.626123681, 42.0302608041, 42.4343979273]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.1952150462247497,0.1952150462247497,B,hcp,43.5460216353,0.0342476488,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,43.4611788748696,0.113720875517381,48.0,1.0,0.36606674542459533,0.36606674542459533,B,hcp,43.6202757979,0.0190043644,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.19602635509654748,0.19602635509654748,B,hcp,43.5463742397,0.0296261222,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,43.4611788748696,0.113720875517381,32.0,1.0,0.18656873552154374,-0.18656873552154374,B,hcp,43.380093903,0.040976955700000005,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.21694678, -1.2499543100000001, -1.28005417, -1.3074093, -1.33217147, -1.35451125, -1.37458209, -1.39249008, -1.40844268, -1.42252494, -1.43486529]",LDA,43.4611788748696,0.113720875517381,8.0,1.0,3.552884065975593,3.552884065975593,B,hcp,45.005304173999995,0.5524540988000001,"[37.5617831666, 37.9571703578, 38.3525575491, 38.7479447403, 39.1433319315, 39.5387191227, 39.934106314, 40.3294935052, 40.7248806964, 41.1202678876, 41.5156550789]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,43.4611788748696,0.113720875517381,46.0,1.0,0.29876858081613283,0.29876858081613283,B,hcp,43.59102722220001,0.021407707400000003,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23267701, -1.26545888, -1.29533576, -1.32248311, -1.3470472199999999, -1.36918626, -1.38903137, -1.4067229700000001, -1.4224043100000001, -1.43618198, -1.44816895]",LDA,43.4611788748696,0.113720875517381,18.0,1.0,11.722402596806424,11.722402596806424,B,hcp,48.5558732359,0.2850314453,"[38.2729795736, 38.6758530428, 39.078726512, 39.4815999812, 39.8844734504, 40.2873469196, 40.6902203888, 41.093093858, 41.4959673272, 41.8988407964, 42.3017142656]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23123731, -1.26403608, -1.29393282, -1.32110278, -1.34568886, -1.3678453, -1.38772076, -1.40544028, -1.4211299099999999, -1.4349108799999999, -1.44689778]",LDA,43.4611788748696,0.113720875517381,28.0,1.0,13.537198880337655,13.537198880337655,B,hcp,49.3446050949,0.192335447,"[38.2310198679, 38.633451655900004, 39.035883444, 39.4383152321, 39.8407470202, 40.2431788083, 40.6456105964, 41.0480423844, 41.4504741725, 41.8529059606, 42.2553377487]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23120512, -1.26408307, -1.29406423, -1.32131355, -1.34598835, -1.36824228, -1.38820081, -1.40601711, -1.421799, -1.43566322, -1.44773463]",LDA,43.4611788748696,0.113720875517381,16.0,1.0,14.291910970509857,14.291910970509857,B,hcp,49.672611866400004,0.15074007050000002,"[38.1075357003, 38.5086676551, 38.9097996098, 39.3109315646, 39.7120635193, 40.113195474, 40.5143274288, 40.9154593835, 41.3165913383, 41.717723293, 42.1188552477]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23119801, -1.26408505, -1.29406278, -1.32131607, -1.34598707, -1.3682416800000001, -1.38820377, -1.40601678, -1.42179443, -1.43566617, -1.4477347]",LDA,43.4611788748696,0.113720875517381,16.0,1.0,14.02834085284275,14.02834085284275,B,hcp,49.5580611861,0.1319015411,"[38.1075684563, 38.5087007559, 38.9098330554, 39.3109653549, 39.7120976545, 40.113229954, 40.5143622536, 40.9154945531, 41.3166268526, 41.7177591522, 42.1188914517]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.1952150462247497,0.1952150462247497,B,hcp,43.5460216353,0.0342476488,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23136015, -1.2641535799999999, -1.29404526, -1.32120919, -1.34579388, -1.36794661, -1.38781561, -1.40552649, -1.4212095599999999, -1.4349810600000001, -1.44694894]",LDA,43.4611788748696,0.113720875517381,32.0,1.0,14.209853695895461,14.209853695895461,B,hcp,49.6369488075,0.1716247948,"[38.2370025997, 38.6394973639, 39.0419921281, 39.4444868923, 39.8469816565, 40.2494764207, 40.6519711849, 41.0544659491, 41.4569607133, 41.8594554775, 42.2619502417]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23052194, -1.26333179, -1.29324044, -1.32041751, -1.34502177, -1.36719096, -1.38707071, -1.4048005, -1.42049732, -1.43429286, -1.44628616]",LDA,43.4611788748696,0.113720875517381,22.0,1.0,13.719847572469446,13.719847572469446,B,hcp,49.4239863697,0.2264698256,"[38.1794912641, 38.5813806458, 38.9832700275, 39.3851594092, 39.787048791, 40.1889381727, 40.5908275544, 40.9927169361, 41.3946063179, 41.7964956996, 42.1983850813]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23530421, -1.2679759800000001, -1.29775629, -1.32479904, -1.34926472, -1.37129945, -1.39104075, -1.40863442, -1.4241922900000001, -1.43785, -1.44970391]",LDA,43.4611788748696,0.113720875517381,12.0,1.0,13.748320252963506,13.748320252963506,B,hcp,49.4363609323,0.2376810489,"[38.39303563, 38.7971728471, 39.2013100643, 39.605447281400004, 40.0095844986, 40.4137217157, 40.8178589329, 41.2219961501, 41.6261333672, 42.0302705844, 42.4344078015]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23018666, -1.26300374, -1.2929235399999999, -1.32010762, -1.34472965, -1.36691326, -1.38681656, -1.40456886, -1.42028723, -1.4340944, -1.44610986]",LDA,43.4611788748696,0.113720875517381,20.0,1.0,14.066679487991088,14.066679487991088,B,hcp,49.5747236089,0.1847625987,"[38.1876872622, 38.5896629176, 38.9916385729, 39.3936142283, 39.7955898837, 40.1975655391, 40.5995411945, 41.0015168499, 41.4034925053, 41.8054681607, 42.2074438161]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.18860834, -1.22083803, -1.25023137, -1.27695402, -1.30118126, -1.32302892, -1.34264759, -1.36017623, -1.37571107, -1.38938297, -1.40134676]",LDA,43.4611788748696,0.113720875517381,6.0,1.0,8.208991178546574,8.208991178546574,B,hcp,47.028903214799996,0.35585893500000004,"[38.4875607233, 38.8926929414, 39.2978251595, 39.7029573777, 40.1080895958, 40.5132218139, 40.9183540321, 41.3234862502, 41.7286184684, 42.1337506865, 42.5388829046]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23134041, -1.26414563, -1.29404736, -1.32121743, -1.34581102, -1.36797315, -1.3878479, -1.4055743, -1.4212695, -1.43505371, -1.44703508]",LDA,43.4611788748696,0.113720875517381,26.0,1.0,13.785042025159225,13.785042025159225,B,hcp,49.4523206474,0.1407741002,"[38.2289571103, 38.6313671851, 39.03377726, 39.4361873348, 39.8385974097, 40.2410074845, 40.6434175593, 41.0458276342, 41.448237709, 41.8506477839, 42.2530578587]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.24208426, -1.27495686, -1.3049384800000001, -1.3321858, -1.35683561, -1.37905654, -1.39899584, -1.41676807, -1.43250612, -1.44633737, -1.458383]",LDA,43.4611788748696,0.113720875517381,10.0,1.0,13.836225335819199,13.836225335819199,B,hcp,49.47456551760001,0.3176324112,"[38.0628810989, 38.4635430052, 38.8642049115, 39.2648668178, 39.6655287241, 40.0661906304, 40.4668525367, 40.867514443, 41.2681763493, 41.6688382556, 42.0695001619]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,43.4611788748696,0.113720875517381,48.0,1.0,0.36606674542459533,0.36606674542459533,B,hcp,43.6202757979,0.0190043644,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.22147839, -1.25437443, -1.28436034, -1.31161151, -1.33628058, -1.3585304900000001, -1.3784936, -1.39630383, -1.41208789, -1.42597139, -1.43809759]",LDA,43.4611788748696,0.113720875517381,14.0,1.0,11.788291915139096,11.788291915139096,B,hcp,48.5845095104,0.329034892,"[37.8614462643, 38.2599878039, 38.6585293435, 39.0570708831, 39.4556124228, 39.8541539624, 40.252695502, 40.6512370416, 41.0497785813, 41.4483201209, 41.8468616605]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.24208526, -1.2749568, -1.3049336, -1.33218079, -1.3568357899999999, -1.37905716, -1.39899148, -1.41676854, -1.43250656, -1.4463376700000001, -1.4583788100000001]",LDA,43.4611788748696,0.113720875517381,10.0,1.0,14.163325035781979,14.163325035781979,B,hcp,49.6167269033,0.3011901332,"[38.0627838666, 38.4634447494, 38.8641056322, 39.264766515, 39.6654273978, 40.0660882806, 40.4667491634, 40.8674100462, 41.2680709291, 41.6687318119, 42.0693926947]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,43.4611788748696,0.113720875517381,34.0,1.0,0.19602635509654748,0.19602635509654748,B,hcp,43.5463742397,0.0296261222,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.3803601300000001, -1.41179159, -1.44037239, -1.46615931, -1.48945527, -1.51020421, -1.52880889, -1.5452904200000002, -1.5597334900000002, -1.57227939, -1.58310131]",LDA,43.4611788748696,0.113720875517381,4.0,1.0,12.36354690723173,12.36354690723173,B,hcp,48.83452211149999,0.754248386,"[38.2359717854, 38.6384556989, 39.0409396124, 39.4434235259, 39.8459074395, 40.248391353, 40.6508752665, 41.0533591801, 41.4558430936, 41.8583270071, 42.2608109207]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23266925, -1.26545084, -1.29532878, -1.32247597, -1.34704085, -1.36917629, -1.38902542, -1.40672229, -1.42239906, -1.43617728, -1.44816441]",LDA,43.4611788748696,0.113720875517381,18.0,1.0,11.823130130972118,11.823130130972118,B,hcp,48.5996506097,0.2568532482,"[38.2727722688, 38.6756435559, 39.0785148429, 39.4813861299, 39.884257417, 40.287128704, 40.6899999911, 41.0928712781, 41.4957425651, 41.8986138522, 42.3014851392]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.21695614, -1.24996305, -1.28006231, -1.30741686, -1.3321784700000001, -1.3545101, -1.3745889, -1.39249565, -1.4084484, -1.42253001, -1.43486971]",LDA,43.4611788748696,0.113720875517381,8.0,1.0,3.5336033844180976,3.5336033844180976,B,hcp,44.9969245625,0.5317489759,"[37.561855264, 37.9572432142, 38.3526311643, 38.7480191145, 39.1434070646, 39.5387950148, 39.9341829649, 40.3295709151, 40.7249588652, 41.1203468154, 41.5157347655]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.22148768, -1.25438376, -1.28437376, -1.31162459, -1.33629259, -1.35854059, -1.37849952, -1.39630965, -1.41209662, -1.42598038, -1.43810103]",LDA,43.4611788748696,0.113720875517381,14.0,1.0,11.626373097422242,11.626373097422242,B,hcp,48.5141376834,0.2848167337,"[37.8616412543, 38.2601848465, 38.6587284386, 39.0572720308, 39.4558156229, 39.8543592151, 40.2529028072, 40.6514463994, 41.0499899915, 41.4485335837, 41.8470771758]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.2313405, -1.26414545, -1.29404385, -1.32121031, -1.34580923, -1.36797158, -1.3878472, -1.40557353, -1.42126972, -1.4350537700000001, -1.44703561]",LDA,43.4611788748696,0.113720875517381,26.0,1.0,13.981960425707909,13.981960425707909,B,hcp,49.537903705699996,0.1500593909,"[38.229068919, 38.6314801708, 39.0338914226, 39.4363026743, 39.8387139261, 40.2411251779, 40.6435364297, 41.0459476815, 41.4483589332, 41.850770185, 42.2531814368]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.38036977, -1.41179803, -1.4403747999999998, -1.46616717, -1.48945682, -1.51026645, -1.5288097, -1.54529089, -1.55973363, -1.57228381, -1.5831080800000001]",LDA,43.4611788748696,0.113720875517381,4.0,1.0,12.471178394713199,12.471178394713199,B,hcp,48.8813000248,0.564342195,"[38.2360553077, 38.6385401004, 39.0410248932, 39.4435096859, 39.8459944786, 40.2484792713, 40.650964064, 41.0534488567, 41.4559336494, 41.8584184422, 42.2609032349]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.18861715, -1.22084975, -1.25023883, -1.27696378, -1.30118808, -1.32303458, -1.34265575, -1.36017641, -1.3757108200000001, -1.38938228, -1.40135004]",LDA,43.4611788748696,0.113720875517381,6.0,1.0,7.955810122144946,7.955810122144946,B,hcp,46.918867743,0.3866058661,"[38.4876705699, 38.8928039443, 39.2979373187, 39.7030706931, 40.1082040676, 40.513337442, 40.9184708164, 41.3236041908, 41.7287375652, 42.1338709397, 42.5390043141]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,43.4611788748696,0.113720875517381,32.0,1.0,0.18656873552154374,-0.18656873552154374,B,hcp,43.380093903,0.040976955700000005,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,43.4611788748696,0.113720875517381,46.0,1.0,0.29876858081613283,0.29876858081613283,B,hcp,43.59102722220001,0.021407707400000003,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23020206, -1.26301866, -1.2929382, -1.3201292900000001, -1.34474158, -1.36692536, -1.38683027, -1.40457874, -1.42029617, -1.4341103099999999, -1.44612234]",LDA,43.4611788748696,0.113720875517381,20.0,1.0,13.776900646596552,13.776900646596552,B,hcp,49.4487823083,0.1744232044,"[38.1880993117, 38.5900793044, 38.9920592972, 39.3940392899, 39.7960192827, 40.1979992754, 40.5999792682, 41.001959261, 41.4039392537, 41.8059192465, 42.2078992392]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23149098, -1.2642749, -1.29416581, -1.32131552, -1.3458893299999999, -1.36803753, -1.38789556, -1.40560801, -1.42127966, -1.4350450399999999, -1.44701147]",LDA,-1.49180108101904,4.4949823414531396e-05,30.0,1.0,-0.23288824919385112,-0.23288824919385112,E0,hcp,-1.4883268516,0.0001020023,"[38.2485120602, 38.6511279766, 39.053743893, 39.4563598094, 39.8589757258, 40.2615916423, 40.6642075587, 41.0668234751, 41.4694393915, 41.872055308, 42.2746712244]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23530002, -1.26797696, -1.29775333, -1.32479537, -1.3492612099999999, -1.37129666, -1.39103753, -1.40863176, -1.42419749, -1.43785183, -1.44970142]",LDA,-1.49180108101904,4.4949823414531396e-05,12.0,1.0,-0.11076580785899029,-0.11076580785899029,E0,hcp,-1.4901486755000002,0.0001104506,"[38.3930266961, 38.7971638192, 39.2013009423, 39.6054380654, 40.0095751886, 40.4137123117, 40.8178494348, 41.2219865579, 41.626123681, 42.0302608041, 42.4343979273]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,-1.49180108101904,4.4949823414531396e-05,34.0,1.0,-0.0068787241318942465,0.0068787241318942465,E0,hcp,-1.4919036979,6.1352e-06,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,-1.49180108101904,4.4949823414531396e-05,48.0,1.0,-0.0002531918690796599,-0.0002531918690796599,E0,hcp,-1.4917973039,3.4298e-06,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,-1.49180108101904,4.4949823414531396e-05,34.0,1.0,-0.006786674325964743,0.006786674325964743,E0,hcp,-1.4919023247,5.3072000000000015e-06,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.21694678, -1.2499543100000001, -1.28005417, -1.3074093, -1.33217147, -1.35451125, -1.37458209, -1.39249008, -1.40844268, -1.42252494, -1.43486529]",LDA,-1.49180108101904,4.4949823414531396e-05,8.0,1.0,-0.6730075106382124,-0.6730075106382124,E0,hcp,-1.4817611477,0.0004018822,"[37.5617831666, 37.9571703578, 38.3525575491, 38.7479447403, 39.1433319315, 39.5387191227, 39.934106314, 40.3294935052, 40.7248806964, 41.1202678876, 41.5156550789]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,-1.49180108101904,4.4949823414531396e-05,32.0,1.0,-0.014425309230439736,-0.014425309230439736,E0,hcp,-1.4915858841,7.3409e-06,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,-1.49180108101904,4.4949823414531396e-05,46.0,1.0,-0.0037612265974380473,-0.0037612265974380473,E0,hcp,-1.491744971,3.8642e-06,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23267701, -1.26545888, -1.29533576, -1.32248311, -1.3470472199999999, -1.36918626, -1.38903137, -1.4067229700000001, -1.4224043100000001, -1.43618198, -1.44816895]",LDA,-1.49180108101904,4.4949823414531396e-05,18.0,1.0,-0.11490694978376063,-0.11490694978376063,E0,hcp,-1.4900868979,0.0001866291,"[38.2729795736, 38.6758530428, 39.078726512, 39.4815999812, 39.8844734504, 40.2873469196, 40.6902203888, 41.093093858, 41.4959673272, 41.8988407964, 42.3017142656]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23123731, -1.26403608, -1.29393282, -1.32110278, -1.34568886, -1.3678453, -1.38772076, -1.40544028, -1.4211299099999999, -1.4349108799999999, -1.44689778]",LDA,-1.49180108101904,4.4949823414531396e-05,28.0,1.0,-0.22526872796905262,-0.22526872796905262,E0,hcp,-1.4884405197,0.0001240727,"[38.2310198679, 38.633451655900004, 39.035883444, 39.4383152321, 39.8407470202, 40.2431788083, 40.6456105964, 41.0480423844, 41.4504741725, 41.8529059606, 42.2553377487]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23120512, -1.26408307, -1.29406423, -1.32131355, -1.34598835, -1.36824228, -1.38820081, -1.40601711, -1.421799, -1.43566322, -1.44773463]",LDA,-1.49180108101904,4.4949823414531396e-05,16.0,1.0,-0.13337834677536733,-0.13337834677536733,E0,hcp,-1.4898113413999998,9.75638e-05,"[38.1075357003, 38.5086676551, 38.9097996098, 39.3109315646, 39.7120635193, 40.113195474, 40.5143274288, 40.9154593835, 41.3165913383, 41.717723293, 42.1188552477]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23119801, -1.26408505, -1.29406278, -1.32131607, -1.34598707, -1.3682416800000001, -1.38820377, -1.40601678, -1.42179443, -1.43566617, -1.4477347]",LDA,-1.49180108101904,4.4949823414531396e-05,16.0,1.0,-0.12896909269739115,-0.12896909269739115,E0,hcp,-1.4898771187,8.555780000000001e-05,"[38.1075684563, 38.5087007559, 38.9098330554, 39.3109653549, 39.7120976545, 40.113229954, 40.5143622536, 40.9154945531, 41.3166268526, 41.7177591522, 42.1188914517]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23136015, -1.2641535799999999, -1.29404526, -1.32120919, -1.34579388, -1.36794661, -1.38781561, -1.40552649, -1.4212095599999999, -1.4349810600000001, -1.44694894]",LDA,-1.49180108101904,4.4949823414531396e-05,32.0,1.0,-0.23898663597995617,-0.23898663597995617,E0,hcp,-1.4882358758,0.0001099296,"[38.2370025997, 38.6394973639, 39.0419921281, 39.4444868923, 39.8469816565, 40.2494764207, 40.6519711849, 41.0544659491, 41.4569607133, 41.8594554775, 42.2619502417]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,-1.49180108101904,4.4949823414531396e-05,34.0,1.0,-0.0068787241318942465,0.0068787241318942465,E0,hcp,-1.4919036979,6.1352e-06,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23052194, -1.26333179, -1.29324044, -1.32041751, -1.34502177, -1.36719096, -1.38707071, -1.4048005, -1.42049732, -1.43429286, -1.44628616]",LDA,-1.49180108101904,4.4949823414531396e-05,22.0,1.0,-0.26281965933166157,-0.26281965933166157,E0,hcp,-1.4878803344999998,0.0001459912,"[38.1794912641, 38.5813806458, 38.9832700275, 39.3851594092, 39.787048791, 40.1889381727, 40.5908275544, 40.9927169361, 41.3946063179, 41.7964956996, 42.1983850813]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23530421, -1.2679759800000001, -1.29775629, -1.32479904, -1.34926472, -1.37129945, -1.39104075, -1.40863442, -1.4241922900000001, -1.43785, -1.44970391]",LDA,-1.49180108101904,4.4949823414531396e-05,12.0,1.0,-0.10927378588079391,-0.10927378588079391,E0,hcp,-1.4901709335,0.0001508917,"[38.39303563, 38.7971728471, 39.2013100643, 39.605447281400004, 40.0095844986, 40.4137217157, 40.8178589329, 41.2219961501, 41.6261333672, 42.0302705844, 42.4344078015]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23018666, -1.26300374, -1.2929235399999999, -1.32010762, -1.34472965, -1.36691326, -1.38681656, -1.40456886, -1.42028723, -1.4340944, -1.44610986]",LDA,-1.49180108101904,4.4949823414531396e-05,20.0,1.0,-0.27027550591972366,-0.27027550591972366,E0,hcp,-1.4877691081,0.0001190581,"[38.1876872622, 38.5896629176, 38.9916385729, 39.3936142283, 39.7955898837, 40.1975655391, 40.5995411945, 41.0015168499, 41.4034925053, 41.8054681607, 42.2074438161]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.18860834, -1.22083803, -1.25023137, -1.27695402, -1.30118126, -1.32302892, -1.34264759, -1.36017623, -1.37571107, -1.38938297, -1.40134676]",LDA,-1.49180108101904,4.4949823414531396e-05,6.0,1.0,-3.2010305010920233,-3.2010305010920233,E0,hcp,-1.4440480734,0.000241257,"[38.4875607233, 38.8926929414, 39.2978251595, 39.7029573777, 40.1080895958, 40.5132218139, 40.9183540321, 41.3234862502, 41.7286184684, 42.1337506865, 42.5388829046]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23134041, -1.26414563, -1.29404736, -1.32121743, -1.34581102, -1.36797315, -1.3878479, -1.4055743, -1.4212695, -1.43505371, -1.44703508]",LDA,-1.49180108101904,4.4949823414531396e-05,26.0,1.0,-0.21913946575282334,-0.21913946575282334,E0,hcp,-1.4885319561,9.06354e-05,"[38.2289571103, 38.6313671851, 39.03377726, 39.4361873348, 39.8385974097, 40.2410074845, 40.6434175593, 41.0458276342, 41.448237709, 41.8506477839, 42.2530578587]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.24208426, -1.27495686, -1.3049384800000001, -1.3321858, -1.35683561, -1.37905654, -1.39899584, -1.41676807, -1.43250612, -1.44633737, -1.458383]",LDA,-1.49180108101904,4.4949823414531396e-05,10.0,1.0,-0.5683489634669254,0.5683489634669254,E0,hcp,-1.5002797170000002,0.0002052872,"[38.0628810989, 38.4635430052, 38.8642049115, 39.2648668178, 39.6655287241, 40.0661906304, 40.4668525367, 40.867514443, 41.2681763493, 41.6688382556, 42.0695001619]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,-1.49180108101904,4.4949823414531396e-05,48.0,1.0,-0.0002531918690796599,-0.0002531918690796599,E0,hcp,-1.4917973039,3.4298e-06,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.22147839, -1.25437443, -1.28436034, -1.31161151, -1.33628058, -1.3585304900000001, -1.3784936, -1.39630383, -1.41208789, -1.42597139, -1.43809759]",LDA,-1.49180108101904,4.4949823414531396e-05,14.0,1.0,-0.7150574131340085,-0.7150574131340085,E0,hcp,-1.4811338468000002,0.0002180119,"[37.8614462643, 38.2599878039, 38.6585293435, 39.0570708831, 39.4556124228, 39.8541539624, 40.252695502, 40.6512370416, 41.0497785813, 41.4483201209, 41.8468616605]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.24208526, -1.2749568, -1.3049336, -1.33218079, -1.3568357899999999, -1.37905716, -1.39899148, -1.41676854, -1.43250656, -1.4463376700000001, -1.4583788100000001]",LDA,-1.49180108101904,4.4949823414531396e-05,10.0,1.0,-0.5624117710940962,0.5624117710940962,E0,hcp,-1.5001911459000001,0.0001941112,"[38.0627838666, 38.4634447494, 38.8641056322, 39.264766515, 39.6654273978, 40.0660882806, 40.4667491634, 40.8674100462, 41.2680709291, 41.6687318119, 42.0693926947]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,-1.49180108101904,4.4949823414531396e-05,34.0,1.0,-0.006786674325964743,0.006786674325964743,E0,hcp,-1.4919023247,5.3072000000000015e-06,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.3803601300000001, -1.41179159, -1.44037239, -1.46615931, -1.48945527, -1.51020421, -1.52880889, -1.5452904200000002, -1.5597334900000002, -1.57227939, -1.58310131]",LDA,-1.49180108101904,4.4949823414531396e-05,4.0,1.0,-8.39684411512778,8.39684411512778,E0,hcp,-1.6170652923,0.0004305816,"[38.2359717854, 38.6384556989, 39.0409396124, 39.4434235259, 39.8459074395, 40.248391353, 40.6508752665, 41.0533591801, 41.4558430936, 41.8583270071, 42.2608109207]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23266925, -1.26545084, -1.29532878, -1.32247597, -1.34704085, -1.36917629, -1.38902542, -1.40672229, -1.42239906, -1.43617728, -1.44816441]",LDA,-1.49180108101904,4.4949823414531396e-05,18.0,1.0,-0.11675746459777997,-0.11675746459777997,E0,hcp,-1.4900592919,0.0001680392,"[38.2727722688, 38.6756435559, 39.0785148429, 39.4813861299, 39.884257417, 40.287128704, 40.6899999911, 41.0928712781, 41.4957425651, 41.8986138522, 42.3014851392]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.21695614, -1.24996305, -1.28006231, -1.30741686, -1.3321784700000001, -1.3545101, -1.3745889, -1.39249565, -1.4084484, -1.42253001, -1.43486971]",LDA,-1.49180108101904,4.4949823414531396e-05,8.0,1.0,-0.6720270515015246,-0.6720270515015246,E0,hcp,-1.4817757742,0.0003869149,"[37.561855264, 37.9572432142, 38.3526311643, 38.7480191145, 39.1434070646, 39.5387950148, 39.9341829649, 40.3295709151, 40.7249588652, 41.1203468154, 41.5157347655]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.22148768, -1.25438376, -1.28437376, -1.31162459, -1.33629259, -1.35854059, -1.37849952, -1.39630965, -1.41209662, -1.42598038, -1.43810103]",LDA,-1.49180108101904,4.4949823414531396e-05,14.0,1.0,-0.7125252457773538,-0.7125252457773538,E0,hcp,-1.4811716217,0.0001889453,"[37.8616412543, 38.2601848465, 38.6587284386, 39.0572720308, 39.4558156229, 39.8543592151, 40.2529028072, 40.6514463994, 41.0499899915, 41.4485335837, 41.8470771758]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.2313405, -1.26414545, -1.29404385, -1.32121031, -1.34580923, -1.36797158, -1.3878472, -1.40557353, -1.42126972, -1.4350537700000001, -1.44703561]",LDA,-1.49180108101904,4.4949823414531396e-05,26.0,1.0,-0.22199548996021753,-0.22199548996021753,E0,hcp,-1.4884893499,9.64628e-05,"[38.229068919, 38.6314801708, 39.0338914226, 39.4363026743, 39.8387139261, 40.2411251779, 40.6435364297, 41.0459476815, 41.4483589332, 41.850770185, 42.2531814368]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.38036977, -1.41179803, -1.4403747999999998, -1.46616717, -1.48945682, -1.51026645, -1.5288097, -1.54529089, -1.55973363, -1.57228381, -1.5831080800000001]",LDA,-1.49180108101904,4.4949823414531396e-05,4.0,1.0,-8.393325080273339,8.393325080273339,E0,hcp,-1.6170127953,0.0003216785,"[38.2360553077, 38.6385401004, 39.0410248932, 39.4435096859, 39.8459944786, 40.2484792713, 40.650964064, 41.0534488567, 41.4559336494, 41.8584184422, 42.2609032349]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.18861715, -1.22084975, -1.25023883, -1.27696378, -1.30118808, -1.32303458, -1.34265575, -1.36017641, -1.3757108200000001, -1.38938228, -1.40135004]",LDA,-1.49180108101904,4.4949823414531396e-05,6.0,1.0,-3.196766299865116,-3.196766299865116,E0,hcp,-1.4441116868,0.0002626711,"[38.4876705699, 38.8928039443, 39.2979373187, 39.7030706931, 40.1082040676, 40.513337442, 40.9184708164, 41.3236041908, 41.7287375652, 42.1338709397, 42.5390043141]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,-1.49180108101904,4.4949823414531396e-05,32.0,1.0,-0.014425309230439736,-0.014425309230439736,E0,hcp,-1.4915858841,7.3409e-06,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,-1.49180108101904,4.4949823414531396e-05,46.0,1.0,-0.0037612265974380473,-0.0037612265974380473,E0,hcp,-1.491744971,3.8642e-06,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23020206, -1.26301866, -1.2929382, -1.3201292900000001, -1.34474158, -1.36692536, -1.38683027, -1.40457874, -1.42029617, -1.4341103099999999, -1.44612234]",LDA,-1.49180108101904,4.4949823414531396e-05,20.0,1.0,-0.26423769691514853,-0.26423769691514853,E0,hcp,-1.4878591802,0.0001126799,"[38.1880993117, 38.5900793044, 38.9920592972, 39.3940392899, 39.7960192827, 40.1979992754, 40.5999792682, 41.001959261, 41.4039392537, 41.8059192465, 42.2078992392]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23149098, -1.2642749, -1.29416581, -1.32131552, -1.3458893299999999, -1.36803753, -1.38789556, -1.40560801, -1.42127966, -1.4350450399999999, -1.44701147]",LDA,7.30038909274616,0.108126856330785,30.0,1.0,32.18349137418852,-32.18349137418852,dB,hcp,4.9508689988,0.0186039845,"[38.2485120602, 38.6511279766, 39.053743893, 39.4563598094, 39.8589757258, 40.2615916423, 40.6642075587, 41.0668234751, 41.4694393915, 41.872055308, 42.2746712244]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23530002, -1.26797696, -1.29775333, -1.32479537, -1.3492612099999999, -1.37129666, -1.39103753, -1.40863176, -1.42419749, -1.43785183, -1.44970142]",LDA,7.30038909274616,0.108126856330785,12.0,1.0,32.0385456861496,-32.0385456861496,dB,hcp,4.961450598,0.0205639848,"[38.3930266961, 38.7971638192, 39.2013009423, 39.6054380654, 40.0095751886, 40.4137123117, 40.8178494348, 41.2219865579, 41.626123681, 42.0302608041, 42.4343979273]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.4274296563159545,-5.4274296563159545,dB,hcp,6.9041656101,0.0792767915,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,7.30038909274616,0.108126856330785,48.0,1.0,6.036621566979881,-6.036621566979881,dB,hcp,6.8596922302999985,0.0443568539,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.741490752357837,-5.741490752357837,dB,hcp,6.881237928099999,0.0685828098,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,7.30038909274616,0.108126856330785,32.0,1.0,5.8815146369772995,-5.8815146369772995,dB,hcp,6.8710156397,0.0951941909,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.21694678, -1.2499543100000001, -1.28005417, -1.3074093, -1.33217147, -1.35451125, -1.37458209, -1.39249008, -1.40844268, -1.42252494, -1.43486529]",LDA,7.30038909274616,0.108126856330785,8.0,1.0,25.299426564555873,-25.299426564555873,dB,hcp,5.4534325152999985,0.06287254390000001,"[37.5617831666, 37.9571703578, 38.3525575491, 38.7479447403, 39.1433319315, 39.5387191227, 39.934106314, 40.3294935052, 40.7248806964, 41.1202678876, 41.5156550789]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,7.30038909274616,0.108126856330785,46.0,1.0,6.2756944064993645,-6.2756944064993645,dB,hcp,6.8422389828,0.050017051400000005,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23267701, -1.26545888, -1.29533576, -1.32248311, -1.3470472199999999, -1.36918626, -1.38903137, -1.4067229700000001, -1.4224043100000001, -1.43618198, -1.44816895]",LDA,7.30038909274616,0.108126856330785,18.0,1.0,30.800218096325295,-30.800218096325295,dB,hcp,5.051853330299999,0.0333940598,"[38.2729795736, 38.6758530428, 39.078726512, 39.4815999812, 39.8844734504, 40.2873469196, 40.6902203888, 41.093093858, 41.4959673272, 41.8988407964, 42.3017142656]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23123731, -1.26403608, -1.29393282, -1.32110278, -1.34568886, -1.3678453, -1.38772076, -1.40544028, -1.4211299099999999, -1.4349108799999999, -1.44689778]",LDA,7.30038909274616,0.108126856330785,28.0,1.0,31.9400533645945,-31.9400533645945,dB,hcp,4.9686409207,0.022487374700000003,"[38.2310198679, 38.633451655900004, 39.035883444, 39.4383152321, 39.8407470202, 40.2431788083, 40.6456105964, 41.0480423844, 41.4504741725, 41.8529059606, 42.2553377487]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23120512, -1.26408307, -1.29406423, -1.32131355, -1.34598835, -1.36824228, -1.38820081, -1.40601711, -1.421799, -1.43566322, -1.44773463]",LDA,7.30038909274616,0.108126856330785,16.0,1.0,32.54361093858437,-32.54361093858437,dB,hcp,4.9245788694,0.017495014099999998,"[38.1075357003, 38.5086676551, 38.9097996098, 39.3109315646, 39.7120635193, 40.113195474, 40.5143274288, 40.9154593835, 41.3165913383, 41.717723293, 42.1188552477]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23119801, -1.26408505, -1.29406278, -1.32131607, -1.34598707, -1.3682416800000001, -1.38820377, -1.40601678, -1.42179443, -1.43566617, -1.4477347]",LDA,7.30038909274616,0.108126856330785,16.0,1.0,32.34685364363043,-32.34685364363043,dB,hcp,4.9389429175,0.0153086663,"[38.1075684563, 38.5087007559, 38.9098330554, 39.3109653549, 39.7120976545, 40.113229954, 40.5143622536, 40.9154945531, 41.3166268526, 41.7177591522, 42.1188914517]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.4274296563159545,-5.4274296563159545,dB,hcp,6.9041656101,0.0792767915,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23136015, -1.2641535799999999, -1.29404526, -1.32120919, -1.34579388, -1.36794661, -1.38781561, -1.40552649, -1.4212095599999999, -1.4349810600000001, -1.44694894]",LDA,7.30038909274616,0.108126856330785,32.0,1.0,32.34168473146416,-32.34168473146416,dB,hcp,4.9393202682,0.0200742957,"[38.2370025997, 38.6394973639, 39.0419921281, 39.4444868923, 39.8469816565, 40.2494764207, 40.6519711849, 41.0544659491, 41.4569607133, 41.8594554775, 42.2619502417]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23052194, -1.26333179, -1.29324044, -1.32041751, -1.34502177, -1.36719096, -1.38707071, -1.4048005, -1.42049732, -1.43429286, -1.44628616]",LDA,7.30038909274616,0.108126856330785,22.0,1.0,31.969254751985186,-31.969254751985186,dB,hcp,4.9665091058,0.0264295868,"[38.1794912641, 38.5813806458, 38.9832700275, 39.3851594092, 39.787048791, 40.1889381727, 40.5908275544, 40.9927169361, 41.3946063179, 41.7964956996, 42.1983850813]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23530421, -1.2679759800000001, -1.29775629, -1.32479904, -1.34926472, -1.37129945, -1.39104075, -1.40863442, -1.4241922900000001, -1.43785, -1.44970391]",LDA,7.30038909274616,0.108126856330785,12.0,1.0,31.955029047206907,-31.955029047206907,dB,hcp,4.9675476376,0.0280704227,"[38.39303563, 38.7971728471, 39.2013100643, 39.605447281400004, 40.0095844986, 40.4137217157, 40.8178589329, 41.2219961501, 41.6261333672, 42.0302705844, 42.4344078015]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23018666, -1.26300374, -1.2929235399999999, -1.32010762, -1.34472965, -1.36691326, -1.38681656, -1.40456886, -1.42028723, -1.4340944, -1.44610986]",LDA,7.30038909274616,0.108126856330785,20.0,1.0,32.37814255126235,-32.37814255126235,dB,hcp,4.9366587055,0.0215497615,"[38.1876872622, 38.5896629176, 38.9916385729, 39.3936142283, 39.7955898837, 40.1975655391, 40.5995411945, 41.0015168499, 41.4034925053, 41.8054681607, 42.2074438161]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.18860834, -1.22083803, -1.25023137, -1.27695402, -1.30118126, -1.32302892, -1.34264759, -1.36017623, -1.37571107, -1.38938297, -1.40134676]",LDA,7.30038909274616,0.108126856330785,6.0,1.0,31.514882552386137,-31.514882552386137,dB,hcp,4.9996800443,0.0424657356,"[38.4875607233, 38.8926929414, 39.2978251595, 39.7029573777, 40.1080895958, 40.5132218139, 40.9183540321, 41.3234862502, 41.7286184684, 42.1337506865, 42.5388829046]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23134041, -1.26414563, -1.29404736, -1.32121743, -1.34581102, -1.36797315, -1.3878479, -1.4055743, -1.4212695, -1.43505371, -1.44703508]",LDA,7.30038909274616,0.108126856330785,26.0,1.0,32.10003249929028,-32.10003249929028,dB,hcp,4.9569618214,0.0164548181,"[38.2289571103, 38.6313671851, 39.03377726, 39.4361873348, 39.8385974097, 40.2410074845, 40.6434175593, 41.0458276342, 41.448237709, 41.8506477839, 42.2530578587]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.24208426, -1.27495686, -1.3049384800000001, -1.3321858, -1.35683561, -1.37905654, -1.39899584, -1.41676807, -1.43250612, -1.44633737, -1.458383]",LDA,7.30038909274616,0.108126856330785,10.0,1.0,31.747164867541777,-31.747164867541777,dB,hcp,4.982722531499999,0.036865557400000006,"[38.0628810989, 38.4635430052, 38.8642049115, 39.2648668178, 39.6655287241, 40.0661906304, 40.4668525367, 40.867514443, 41.2681763493, 41.6688382556, 42.0695001619]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,7.30038909274616,0.108126856330785,48.0,1.0,6.036621566979881,-6.036621566979881,dB,hcp,6.8596922302999985,0.0443568539,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.22147839, -1.25437443, -1.28436034, -1.31161151, -1.33628058, -1.3585304900000001, -1.3784936, -1.39630383, -1.41208789, -1.42597139, -1.43809759]",LDA,7.30038909274616,0.108126856330785,14.0,1.0,30.441392660212173,-30.441392660212173,dB,hcp,5.0780489833,0.0379401327,"[37.8614462643, 38.2599878039, 38.6585293435, 39.0570708831, 39.4556124228, 39.8541539624, 40.252695502, 40.6512370416, 41.0497785813, 41.4483201209, 41.8468616605]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,7.30038909274616,0.108126856330785,34.0,1.0,5.741490752357837,-5.741490752357837,dB,hcp,6.881237928099999,0.0685828098,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.24208526, -1.2749568, -1.3049336, -1.33218079, -1.3568357899999999, -1.37905716, -1.39899148, -1.41676854, -1.43250656, -1.4463376700000001, -1.4583788100000001]",LDA,7.30038909274616,0.108126856330785,10.0,1.0,31.977631316470053,-31.977631316470053,dB,hcp,4.965897584,0.0349566383,"[38.0627838666, 38.4634447494, 38.8641056322, 39.264766515, 39.6654273978, 40.0660882806, 40.4667491634, 40.8674100462, 41.2680709291, 41.6687318119, 42.0693926947]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.3803601300000001, -1.41179159, -1.44037239, -1.46615931, -1.48945527, -1.51020421, -1.52880889, -1.5452904200000002, -1.5597334900000002, -1.57227939, -1.58310131]",LDA,7.30038909274616,0.108126856330785,4.0,1.0,28.06949109715639,-28.06949109715639,dB,hcp,5.2512070263,0.0938731511,"[38.2359717854, 38.6384556989, 39.0409396124, 39.4434235259, 39.8459074395, 40.248391353, 40.6508752665, 41.0533591801, 41.4558430936, 41.8583270071, 42.2608109207]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23266925, -1.26545084, -1.29532878, -1.32247597, -1.34704085, -1.36917629, -1.38902542, -1.40672229, -1.42239906, -1.43617728, -1.44816441]",LDA,7.30038909274616,0.108126856330785,18.0,1.0,30.87349823019261,-30.87349823019261,dB,hcp,5.0465035954,0.0300917727,"[38.2727722688, 38.6756435559, 39.0785148429, 39.4813861299, 39.884257417, 40.287128704, 40.6899999911, 41.0928712781, 41.4957425651, 41.8986138522, 42.3014851392]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.21695614, -1.24996305, -1.28006231, -1.30741686, -1.3321784700000001, -1.3545101, -1.3745889, -1.39249565, -1.4084484, -1.42253001, -1.43486971]",LDA,7.30038909274616,0.108126856330785,8.0,1.0,25.297307346004157,-25.297307346004157,dB,hcp,5.4535872265,0.060517547699999986,"[37.561855264, 37.9572432142, 38.3526311643, 38.7480191145, 39.1434070646, 39.5387950148, 39.9341829649, 40.3295709151, 40.7249588652, 41.1203468154, 41.5157347655]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.22148768, -1.25438376, -1.28437376, -1.31162459, -1.33629259, -1.35854059, -1.37849952, -1.39630965, -1.41209662, -1.42598038, -1.43810103]",LDA,7.30038909274616,0.108126856330785,14.0,1.0,30.313122772387924,-30.313122772387924,dB,hcp,5.0874131842,0.0328429863,"[37.8616412543, 38.2601848465, 38.6587284386, 39.0572720308, 39.4558156229, 39.8543592151, 40.2529028072, 40.6514463994, 41.0499899915, 41.4485335837, 41.8470771758]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.2313405, -1.26414545, -1.29404385, -1.32121031, -1.34580923, -1.36797158, -1.3878472, -1.40557353, -1.42126972, -1.4350537700000001, -1.44703561]",LDA,7.30038909274616,0.108126856330785,26.0,1.0,32.254057512986776,-32.254057512986776,dB,hcp,4.9457173961,0.0175398978,"[38.229068919, 38.6314801708, 39.0338914226, 39.4363026743, 39.8387139261, 40.2411251779, 40.6435364297, 41.0459476815, 41.4483589332, 41.850770185, 42.2531814368]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.38036977, -1.41179803, -1.4403747999999998, -1.46616717, -1.48945682, -1.51026645, -1.5288097, -1.54529089, -1.55973363, -1.57228381, -1.5831080800000001]",LDA,7.30038909274616,0.108126856330785,4.0,1.0,28.0870167109798,-28.0870167109798,dB,hcp,5.249927588299999,0.0702389063,"[38.2360553077, 38.6385401004, 39.0410248932, 39.4435096859, 39.8459944786, 40.2484792713, 40.650964064, 41.0534488567, 41.4559336494, 41.8584184422, 42.2609032349]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.18861715, -1.22084975, -1.25023883, -1.27696378, -1.30118808, -1.32303458, -1.34265575, -1.36017641, -1.3757108200000001, -1.38938228, -1.40135004]",LDA,7.30038909274616,0.108126856330785,6.0,1.0,31.32831396094581,-31.32831396094581,dB,hcp,5.0133002774,0.0461381051,"[38.4876705699, 38.8928039443, 39.2979373187, 39.7030706931, 40.1082040676, 40.513337442, 40.9184708164, 41.3236041908, 41.7287375652, 42.1338709397, 42.5390043141]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,7.30038909274616,0.108126856330785,32.0,1.0,5.8815146369772995,-5.8815146369772995,dB,hcp,6.8710156397,0.0951941909,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,7.30038909274616,0.108126856330785,46.0,1.0,6.2756944064993645,-6.2756944064993645,dB,hcp,6.8422389828,0.050017051400000005,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23020206, -1.26301866, -1.2929382, -1.3201292900000001, -1.34474158, -1.36692536, -1.38683027, -1.40457874, -1.42029617, -1.4341103099999999, -1.44612234]",LDA,7.30038909274616,0.108126856330785,20.0,1.0,32.18016407208292,-32.18016407208292,dB,hcp,4.9511119048,0.0203448001,"[38.1880993117, 38.5900793044, 38.9920592972, 39.3940392899, 39.7960192827, 40.1979992754, 40.5999792682, 41.001959261, 41.4039392537, 41.8059192465, 42.2078992392]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23149098, -1.2642749, -1.29416581, -1.32131552, -1.3458893299999999, -1.36803753, -1.38789556, -1.40560801, -1.42127966, -1.4350450399999999, -1.44701147]",LDA,46.0479063194509,0.00865071102982535,30.0,1.0,1.1626237154777277,-1.1626237154777277,v0,hcp,45.5125424401,0.0079733307,"[38.2485120602, 38.6511279766, 39.053743893, 39.4563598094, 39.8589757258, 40.2615916423, 40.6642075587, 41.0668234751, 41.4694393915, 41.872055308, 42.2746712244]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23530002, -1.26797696, -1.29775333, -1.32479537, -1.3492612099999999, -1.37129666, -1.39103753, -1.40863176, -1.42419749, -1.43785183, -1.44970142]",LDA,46.0479063194509,0.00865071102982535,12.0,1.0,0.8722970737569238,-0.8722970737569238,v0,hcp,45.6462317801,0.0087091825,"[38.3930266961, 38.7971638192, 39.2013009423, 39.6054380654, 40.0095751886, 40.4137123117, 40.8178494348, 41.2219865579, 41.626123681, 42.0302608041, 42.4343979273]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06603375567166749,-0.06603375567166749,v0,hcp,46.0174991575,0.0011626357,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,46.0479063194509,0.00865071102982535,48.0,1.0,0.03699261054938569,-0.03699261054938569,v0,hcp,46.0308719968,0.0006515876,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06567657765175011,-0.06567657765175011,v0,hcp,46.0176636305,0.0010057957,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.21694678, -1.2499543100000001, -1.28005417, -1.3074093, -1.33217147, -1.35451125, -1.37458209, -1.39249008, -1.40844268, -1.42252494, -1.43486529]",LDA,46.0479063194509,0.00865071102982535,8.0,1.0,2.1445936158312673,-2.1445936158312673,v0,hcp,45.060365860299996,0.031681504900000004,"[37.5617831666, 37.9571703578, 38.3525575491, 38.7479447403, 39.1433319315, 39.5387191227, 39.934106314, 40.3294935052, 40.7248806964, 41.1202678876, 41.5156550789]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,46.0479063194509,0.00865071102982535,32.0,1.0,0.040270616045495866,-0.040270616045495866,v0,hcp,46.02936254390001,0.0013963799,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,46.0479063194509,0.00865071102982535,46.0,1.0,0.043892539240949775,-0.043892539240949775,v0,hcp,46.0276947241,0.0007347232,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23267701, -1.26545888, -1.29533576, -1.32248311, -1.3470472199999999, -1.36918626, -1.38903137, -1.4067229700000001, -1.4224043100000001, -1.43618198, -1.44816895]",LDA,46.0479063194509,0.00865071102982535,18.0,1.0,0.9939601074926054,-0.9939601074926054,v0,hcp,45.590208500299994,0.0146943005,"[38.2729795736, 38.6758530428, 39.078726512, 39.4815999812, 39.8844734504, 40.2873469196, 40.6902203888, 41.093093858, 41.4959673272, 41.8988407964, 42.3017142656]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23123731, -1.26403608, -1.29393282, -1.32110278, -1.34568886, -1.3678453, -1.38772076, -1.40544028, -1.4211299099999999, -1.4349108799999999, -1.44689778]",LDA,46.0479063194509,0.00865071102982535,28.0,1.0,1.1771369397134486,-1.1771369397134486,v0,hcp,45.5058594042,0.0096999574,"[38.2310198679, 38.633451655900004, 39.035883444, 39.4383152321, 39.8407470202, 40.2431788083, 40.6456105964, 41.0480423844, 41.4504741725, 41.8529059606, 42.2553377487]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23120512, -1.26408307, -1.29406423, -1.32131355, -1.34598835, -1.36824228, -1.38820081, -1.40601711, -1.421799, -1.43566322, -1.44773463]",LDA,46.0479063194509,0.00865071102982535,16.0,1.0,1.4606226573797596,-1.4606226573797596,v0,hcp,45.375320166499996,0.0075574523000000015,"[38.1075357003, 38.5086676551, 38.9097996098, 39.3109315646, 39.7120635193, 40.113195474, 40.5143274288, 40.9154593835, 41.3165913383, 41.717723293, 42.1188552477]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23119801, -1.26408505, -1.29406278, -1.32131607, -1.34598707, -1.3682416800000001, -1.38820377, -1.40601678, -1.42179443, -1.43566617, -1.4477347]",LDA,46.0479063194509,0.00865071102982535,16.0,1.0,1.4487232242937196,-1.4487232242937196,v0,hcp,45.3807996063,0.0066331326,"[38.1075684563, 38.5087007559, 38.9098330554, 39.3109653549, 39.7120976545, 40.113229954, 40.5143622536, 40.9154945531, 41.3166268526, 41.7177591522, 42.1188914517]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23136015, -1.2641535799999999, -1.29404526, -1.32120919, -1.34579388, -1.36794661, -1.38781561, -1.40552649, -1.4212095599999999, -1.4349810600000001, -1.44694894]",LDA,46.0479063194509,0.00865071102982535,32.0,1.0,1.2007318910769804,-1.2007318910769804,v0,hcp,45.4949944231,0.0085817305,"[38.2370025997, 38.6394973639, 39.0419921281, 39.4444868923, 39.8469816565, 40.2494764207, 40.6519711849, 41.0544659491, 41.4569607133, 41.8594554775, 42.2619502417]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06603375567166749,-0.06603375567166749,v0,hcp,46.0174991575,0.0011626357,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23052194, -1.26333179, -1.29324044, -1.32041751, -1.34502177, -1.36719096, -1.38707071, -1.4048005, -1.42049732, -1.43429286, -1.44628616]",LDA,46.0479063194509,0.00865071102982535,22.0,1.0,1.3068138570215593,-1.3068138570215593,v0,hcp,45.44614589880001,0.011391708700000001,"[38.1794912641, 38.5813806458, 38.9832700275, 39.3851594092, 39.787048791, 40.1889381727, 40.5908275544, 40.9927169361, 41.3946063179, 41.7964956996, 42.1983850813]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23530421, -1.2679759800000001, -1.29775629, -1.32479904, -1.34926472, -1.37129945, -1.39104075, -1.40863442, -1.4241922900000001, -1.43785, -1.44970391]",LDA,46.0479063194509,0.00865071102982535,12.0,1.0,0.8677753205081487,-0.8677753205081487,v0,hcp,45.648313952799995,0.011902467,"[38.39303563, 38.7971728471, 39.2013100643, 39.605447281400004, 40.0095844986, 40.4137217157, 40.8178589329, 41.2219961501, 41.6261333672, 42.0302705844, 42.4344078015]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23018666, -1.26300374, -1.2929235399999999, -1.32010762, -1.34472965, -1.36691326, -1.38681656, -1.40456886, -1.42028723, -1.4340944, -1.44610986]",LDA,46.0479063194509,0.00865071102982535,20.0,1.0,1.288725812492015,-1.288725812492015,v0,hcp,45.4544750646,0.0092704426,"[38.1876872622, 38.5896629176, 38.9916385729, 39.3936142283, 39.7955898837, 40.1975655391, 40.5995411945, 41.0015168499, 41.4034925053, 41.8054681607, 42.2074438161]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.18860834, -1.22083803, -1.25023137, -1.27695402, -1.30118126, -1.32302892, -1.34264759, -1.36017623, -1.37571107, -1.38938297, -1.40134676]",LDA,46.0479063194509,0.00865071102982535,6.0,1.0,0.27664200423611174,-0.27664200423611174,v0,hcp,45.920518468500006,0.0193300576,"[38.4875607233, 38.8926929414, 39.2978251595, 39.7029573777, 40.1080895958, 40.5132218139, 40.9183540321, 41.3234862502, 41.7286184684, 42.1337506865, 42.5388829046]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23134041, -1.26414563, -1.29404736, -1.32121743, -1.34581102, -1.36797315, -1.3878479, -1.4055743, -1.4212695, -1.43505371, -1.44703508]",LDA,46.0479063194509,0.00865071102982535,26.0,1.0,1.1926380112507482,-1.1926380112507482,v0,hcp,45.498721485299995,0.007079168100000002,"[38.2289571103, 38.6313671851, 39.03377726, 39.4361873348, 39.8385974097, 40.2410074845, 40.6434175593, 41.0458276342, 41.448237709, 41.8506477839, 42.2530578587]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.24208426, -1.27495686, -1.3049384800000001, -1.3321858, -1.35683561, -1.37905654, -1.39899584, -1.41676807, -1.43250612, -1.44633737, -1.458383]",LDA,46.0479063194509,0.00865071102982535,10.0,1.0,1.5778225153398613,-1.5778225153398613,v0,hcp,45.3213520857,0.0159490327,"[38.0628810989, 38.4635430052, 38.8642049115, 39.2648668178, 39.6655287241, 40.0661906304, 40.4668525367, 40.867514443, 41.2681763493, 41.6688382556, 42.0695001619]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4728082, -1.47982502, -1.4851111700000001, -1.48878353, -1.49095852, -1.49178017, -1.49133533, -1.48973229, -1.48704285, -1.4833484399999999, -1.47870879]",LDA,46.0479063194509,0.00865071102982535,48.0,1.0,0.03699261054938569,-0.03699261054938569,v0,hcp,46.0308719968,0.0006515876,"[43.6694115952, 44.129089612, 44.5887676288, 45.0484456456, 45.5081236624, 45.9678016792, 46.427479696, 46.8871577128, 47.3468357296, 47.8065137464, 48.2661917632]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.22147839, -1.25437443, -1.28436034, -1.31161151, -1.33628058, -1.3585304900000001, -1.3784936, -1.39630383, -1.41208789, -1.42597139, -1.43809759]",LDA,46.0479063194509,0.00865071102982535,14.0,1.0,1.9352128237250237,-1.9352128237250237,v0,hcp,45.1567813313,0.016940028,"[37.8614462643, 38.2599878039, 38.6585293435, 39.0570708831, 39.4556124228, 39.8541539624, 40.252695502, 40.6512370416, 41.0497785813, 41.4483201209, 41.8468616605]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.24208526, -1.2749568, -1.3049336, -1.33218079, -1.3568357899999999, -1.37905716, -1.39899148, -1.41676854, -1.43250656, -1.4463376700000001, -1.4583788100000001]",LDA,46.0479063194509,0.00865071102982535,10.0,1.0,1.593226861523998,-1.593226861523998,v0,hcp,45.314258706800004,0.015065281000000003,"[38.0627838666, 38.4634447494, 38.8641056322, 39.264766515, 39.6654273978, 40.0660882806, 40.4667491634, 40.8674100462, 41.2680709291, 41.6687318119, 42.0693926947]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",LDA,46.0479063194509,0.00865071102982535,34.0,1.0,0.06567657765175011,-0.06567657765175011,v0,hcp,46.0176636305,0.0010057957,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.3803601300000001, -1.41179159, -1.44037239, -1.46615931, -1.48945527, -1.51020421, -1.52880889, -1.5452904200000002, -1.5597334900000002, -1.57227939, -1.58310131]",LDA,46.0479063194509,0.00865071102982535,4.0,1.0,1.8073104133713158,-1.8073104133713158,v0,hcp,45.2156777134,0.0361125086,"[38.2359717854, 38.6384556989, 39.0409396124, 39.4434235259, 39.8459074395, 40.248391353, 40.6508752665, 41.0533591801, 41.4558430936, 41.8583270071, 42.2608109207]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.23266925, -1.26545084, -1.29532878, -1.32247597, -1.34704085, -1.36917629, -1.38902542, -1.40672229, -1.42239906, -1.43617728, -1.44816441]",LDA,46.0479063194509,0.00865071102982535,18.0,1.0,0.9989817924829232,-0.9989817924829232,v0,hcp,45.587896119499995,0.013225954000000002,"[38.2727722688, 38.6756435559, 39.0785148429, 39.4813861299, 39.884257417, 40.287128704, 40.6899999911, 41.0928712781, 41.4957425651, 41.8986138522, 42.3014851392]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.21695614, -1.24996305, -1.28006231, -1.30741686, -1.3321784700000001, -1.3545101, -1.3745889, -1.39249565, -1.4084484, -1.42253001, -1.43486971]",LDA,46.0479063194509,0.00865071102982535,8.0,1.0,2.143011184276306,-2.143011184276306,v0,hcp,45.061094536899994,0.030503205,"[37.561855264, 37.9572432142, 38.3526311643, 38.7480191145, 39.1434070646, 39.5387950148, 39.9341829649, 40.3295709151, 40.7249588652, 41.1203468154, 41.5157347655]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.22148768, -1.25438376, -1.28437376, -1.31162459, -1.33629259, -1.35854059, -1.37849952, -1.39630965, -1.41209662, -1.42598038, -1.43810103]",LDA,46.0479063194509,0.00865071102982535,14.0,1.0,1.9280163147740854,-1.9280163147740854,v0,hcp,45.160095173,0.0146903976,"[37.8616412543, 38.2601848465, 38.6587284386, 39.0572720308, 39.4558156229, 39.8543592151, 40.2529028072, 40.6514463994, 41.0499899915, 41.4485335837, 41.8470771758]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.2313405, -1.26414545, -1.29404385, -1.32121031, -1.34580923, -1.36797158, -1.3878472, -1.40557353, -1.42126972, -1.4350537700000001, -1.44703561]",LDA,46.0479063194509,0.00865071102982535,26.0,1.0,1.2007294668625474,-1.2007294668625474,v0,hcp,45.494995539399994,0.0075292665,"[38.229068919, 38.6314801708, 39.0338914226, 39.4363026743, 39.8387139261, 40.2411251779, 40.6435364297, 41.0459476815, 41.4483589332, 41.850770185, 42.2531814368]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.38036977, -1.41179803, -1.4403747999999998, -1.46616717, -1.48945682, -1.51026645, -1.5288097, -1.54529089, -1.55973363, -1.57228381, -1.5831080800000001]",LDA,46.0479063194509,0.00865071102982535,4.0,1.0,1.814809976057271,-1.814809976057271,v0,hcp,45.2122243218,0.0269757891,"[38.2360553077, 38.6385401004, 39.0410248932, 39.4435096859, 39.8459944786, 40.2484792713, 40.650964064, 41.0534488567, 41.4559336494, 41.8584184422, 42.2609032349]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.18861715, -1.22084975, -1.25023883, -1.27696378, -1.30118808, -1.32303458, -1.34265575, -1.36017641, -1.3757108200000001, -1.38938228, -1.40135004]",LDA,46.0479063194509,0.00865071102982535,6.0,1.0,0.26427024978441327,-0.26427024978441327,v0,hcp,45.9262154024,0.0210649851,"[38.4876705699, 38.8928039443, 39.2979373187, 39.7030706931, 40.1082040676, 40.513337442, 40.9184708164, 41.3236041908, 41.7287375652, 42.1338709397, 42.5390043141]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",LDA,46.0479063194509,0.00865071102982535,32.0,1.0,0.040270616045495866,-0.040270616045495866,v0,hcp,46.02936254390001,0.0013963799,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",LDA,46.0479063194509,0.00865071102982535,46.0,1.0,0.043892539240949775,-0.043892539240949775,v0,hcp,46.0276947241,0.0007347232,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.23020206, -1.26301866, -1.2929382, -1.3201292900000001, -1.34474158, -1.36692536, -1.38683027, -1.40457874, -1.42029617, -1.4341103099999999, -1.44612234]",LDA,46.0479063194509,0.00865071102982535,20.0,1.0,1.27412995279456,-1.27412995279456,v0,hcp,45.4611961524,0.0087818275,"[38.1880993117, 38.5900793044, 38.9920592972, 39.3940392899, 39.7960192827, 40.1979992754, 40.5999792682, 41.001959261, 41.4039392537, 41.8059192465, 42.2078992392]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,8.06913725448799,0.113372054484595,64.0,1.0,1.5897126008194236,1.5897126008194236,B,bcc,8.1974133462,0.0041848399,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,8.06913725448799,0.113372054484595,54.0,1.0,1.9850871990424883,1.9850871990424883,B,bcc,8.229316665199999,0.0087598706,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,8.06913725448799,0.113372054484595,48.0,1.0,8.593333986558994,8.593333986558994,B,bcc,8.762545168599999,0.0978090113,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,8.06913725448799,0.113372054484595,54.0,1.0,1.9850871990424883,1.9850871990424883,B,bcc,8.229316665199999,0.0087598706,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,8.06913725448799,0.113372054484595,48.0,1.0,8.593333986558994,8.593333986558994,B,bcc,8.762545168599999,0.0978090113,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,8.06913725448799,0.113372054484595,64.0,1.0,1.5897126008194236,1.5897126008194236,B,bcc,8.1974133462,0.0041848399,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,-0.18078719077552,3.13388337444026e-06,64.0,1.0,-0.006051825039777311,0.006051825039777311,E0,bcc,-0.18079813170000006,4.611e-07,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,-0.18078719077552,3.13388337444026e-06,54.0,1.0,-0.00869371575087071,0.00869371575087071,E0,bcc,-0.1808029079,1.0043e-06,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,-0.18078719077552,3.13388337444026e-06,48.0,1.0,-0.017291116890482527,0.017291116890482527,E0,bcc,-0.1808184509,3.4927e-06,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,-0.18078719077552,3.13388337444026e-06,54.0,1.0,-0.00869371575087071,0.00869371575087071,E0,bcc,-0.1808029079,1.0043e-06,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,-0.18078719077552,3.13388337444026e-06,48.0,1.0,-0.017291116890482527,0.017291116890482527,E0,bcc,-0.1808184509,3.4927e-06,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,-0.18078719077552,3.13388337444026e-06,64.0,1.0,-0.006051825039777311,0.006051825039777311,E0,bcc,-0.18079813170000006,4.611e-07,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,11.6461784085936,0.93730583830448,64.0,1.0,7.6959580992872425,-7.6959580992872425,dB,bcc,10.7498933981,0.047224819800000005,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,11.6461784085936,0.93730583830448,54.0,1.0,6.706908890535597,-6.706908890535597,dB,bcc,10.8650798335,0.1044601369,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,11.6461784085936,0.93730583830448,48.0,1.0,25.514239440991286,-25.514239440991286,dB,bcc,8.674744563700001,0.2498445447,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,11.6461784085936,0.93730583830448,54.0,1.0,6.706908890535597,-6.706908890535597,dB,bcc,10.8650798335,0.1044601369,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,11.6461784085936,0.93730583830448,48.0,1.0,25.514239440991286,-25.514239440991286,dB,bcc,8.674744563700001,0.2498445447,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,11.6461784085936,0.93730583830448,64.0,1.0,7.6959580992872425,-7.6959580992872425,dB,bcc,10.7498933981,0.047224819800000005,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,29.7646251360017,0.0040901113354275785,64.0,1.0,0.014077018549891624,-0.014077018549891624,v0,bcc,29.7604351642,0.000442858,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,29.7646251360017,0.0040901113354275785,54.0,1.0,0.013837869561204676,-0.013837869561204676,v0,bcc,29.760506346,0.0009871898,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,29.7646251360017,0.0040901113354275785,48.0,1.0,0.06102258744638155,-0.06102258744638155,v0,bcc,29.746461991599997,0.0045698173,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.1783427, -0.17927921, -0.17996785, -0.18043562, -0.18070728, -0.18080419, -0.180745, -0.18054709, -0.18022648, -0.17980018, -0.17928051]",LDA,29.7646251360017,0.0040901113354275785,54.0,1.0,0.013837869561204676,-0.013837869561204676,v0,bcc,29.760506346,0.0009871898,"[28.243739798, 28.5410423221, 28.8383448463, 29.1356473705, 29.4329498947, 29.7302524189, 30.0275549431, 30.3248574673, 30.6221599915, 30.9194625157, 31.2167650399]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17355671, -0.17536638000000002, -0.17686895, -0.17810253, -0.17907288000000002, -0.17980399, -0.18032032, -0.18064481000000002, -0.18079635, -0.18079122, -0.1806544]",LDA,29.7646251360017,0.0040901113354275785,48.0,1.0,0.06102258744638155,-0.06102258744638155,v0,bcc,29.746461991599997,0.0045698173,"[27.3127890243, 27.6002920667, 27.887795109, 28.1752981514, 28.4628011938, 28.7503042361, 29.0378072785, 29.3253103208, 29.6128133632, 29.9003164056, 30.1878194479]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17823217, -0.17919259, -0.17990315, -0.18039073, -0.18068093000000002, -0.18079492, -0.18075173, -0.1805724, -0.18027116, -0.17985755, -0.1793447]",LDA,29.7646251360017,0.0040901113354275785,64.0,1.0,0.014077018549891624,-0.014077018549891624,v0,bcc,29.7604351642,0.000442858,"[28.2108566008, 28.5078129861, 28.8047693714, 29.1017257567, 29.3986821419, 29.6956385272, 29.9925949125, 30.2895512977, 30.586507683, 30.8834640683, 31.1804204536]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,8.06913725448799,0.113372054484595,66.0,1.0,17.973682890092523,-17.973682890092523,B,fcc,6.6188161124,0.0040530861000000005,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,8.06913725448799,0.113372054484595,64.0,1.0,17.96186074145491,-17.96186074145491,B,fcc,6.6197700577999985,0.0038938154,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,8.06913725448799,0.113372054484595,66.0,1.0,17.973682890092523,-17.973682890092523,B,fcc,6.6188161124,0.0040530861000000005,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,8.06913725448799,0.113372054484595,64.0,1.0,17.96186074145491,-17.96186074145491,B,fcc,6.6197700577999985,0.0038938154,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,-0.18078719077552,3.13388337444026e-06,66.0,1.0,-2.986615728889966,-2.986615728889966,E0,fcc,-0.1753877721,5.044e-07,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,-0.18078719077552,3.13388337444026e-06,64.0,1.0,-2.9865257888896295,-2.9865257888896295,E0,fcc,-0.1753879347,4.825e-07,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,-0.18078719077552,3.13388337444026e-06,66.0,1.0,-2.986615728889966,-2.986615728889966,E0,fcc,-0.1753877721,5.044e-07,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,-0.18078719077552,3.13388337444026e-06,64.0,1.0,-2.9865257888896295,-2.9865257888896295,E0,fcc,-0.1753879347,4.825e-07,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,11.6461784085936,0.93730583830448,66.0,1.0,37.11984897469601,-37.11984897469601,dB,fcc,7.323134572000001,0.0591773908,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,11.6461784085936,0.93730583830448,64.0,1.0,37.259793876175245,-37.259793876175245,dB,fcc,7.306836339099998,0.0565230277,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,11.6461784085936,0.93730583830448,66.0,1.0,37.11984897469601,-37.11984897469601,dB,fcc,7.323134572000001,0.0591773908,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,11.6461784085936,0.93730583830448,64.0,1.0,37.259793876175245,-37.259793876175245,dB,fcc,7.306836339099998,0.0565230277,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,29.7646251360017,0.0040901113354275785,66.0,1.0,10.61451684730573,10.61451684730573,v0,fcc,32.9239962856,0.0006171707,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,29.7646251360017,0.0040901113354275785,64.0,1.0,10.614996432381464,10.614996432381464,v0,fcc,32.9241390323,0.0005889552,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17322777, -0.17401531, -0.17460978, -0.17502728, -0.17528149, -0.17538474, -0.17535005, -0.17518669, -0.17490633, -0.17451913, -0.17403456]",LDA,29.7646251360017,0.0040901113354275785,66.0,1.0,10.61451684730573,10.61451684730573,v0,fcc,32.9239962856,0.0006171707,"[31.2043694562, 31.5328365031, 31.86130355, 32.1897705969, 32.5182376438, 32.8467046907, 33.1751717376, 33.5036387845, 33.8321058314, 34.160572878400004, 34.4890399253]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17321837, -0.17400776, -0.17460456, -0.17502353, -0.17527946, -0.1753845, -0.17535136, -0.1751895, -0.17491046, -0.17452428, -0.17404072]",LDA,29.7646251360017,0.0040901113354275785,64.0,1.0,10.614996432381464,10.614996432381464,v0,fcc,32.9241390323,0.0005889552,"[31.2008609505, 31.5292910657, 31.857721181, 32.1861512963, 32.514581411500004, 32.8430115268, 33.1714416421, 33.4998717573, 33.8283018726, 34.1567319879, 34.4851621032]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,7.66131452025851,0.00045069146095579103,24.0,1.0,0.013587497794768583,0.013587497794768583,B,hcp,7.6623555012,0.0012124705,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,7.66131452025851,0.00045069146095579103,20.0,1.0,0.009683206968315016,0.009683206968315016,B,hcp,7.6620563812,0.0026088937,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.3213016196685145,0.3213016196685145,B,hcp,7.6859304479,0.0052405066,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,7.66131452025851,0.00045069146095579103,10.0,1.0,0.48285344040726874,0.48285344040726874,B,hcp,7.698307441,0.0091310513,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,7.66131452025851,0.00045069146095579103,18.0,1.0,0.017363442500278888,0.017363442500278888,B,hcp,7.662644788200001,0.0015864724,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.13672694305644037,0.13672694305644037,B,hcp,7.671789601399999,0.0036671526,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.07752287842751335,0.07752287842751335,B,hcp,7.667253791799999,0.0040097685,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,7.66131452025851,0.00045069146095579103,26.0,1.0,0.00495477450384703,-0.00495477450384703,B,hcp,7.660934919400001,0.0020115877,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,7.66131452025851,0.00045069146095579103,28.0,1.0,0.014160194554357707,0.014160194554357707,B,hcp,7.6623993773,0.0031303377,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.027738353984411778,0.027738353984411778,B,hcp,7.6634396427999985,0.0022571120000000004,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.12225289559283112,0.12225289559283112,B,hcp,7.6706806991,0.0043508301000000004,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.18077427058853288,0.18077427058853288,B,hcp,7.675164205700001,0.0070653544,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,7.66131452025851,0.00045069146095579103,22.0,1.0,0.011857937121745987,-0.011857937121745987,B,hcp,7.660406046399999,0.0027708646000000003,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,7.66131452025851,0.00045069146095579103,24.0,1.0,0.013587497794768583,0.013587497794768583,B,hcp,7.6623555012,0.0012124705,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,7.66131452025851,0.00045069146095579103,20.0,1.0,0.009683206968315016,0.009683206968315016,B,hcp,7.6620563812,0.0026088937,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.3213016196685145,0.3213016196685145,B,hcp,7.6859304479,0.0052405066,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,7.66131452025851,0.00045069146095579103,10.0,1.0,0.48285344040726874,0.48285344040726874,B,hcp,7.698307441,0.0091310513,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,7.66131452025851,0.00045069146095579103,18.0,1.0,0.017363442500278888,0.017363442500278888,B,hcp,7.662644788200001,0.0015864724,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,7.66131452025851,0.00045069146095579103,12.0,1.0,0.13672694305644037,0.13672694305644037,B,hcp,7.671789601399999,0.0036671526,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.07752287842751335,0.07752287842751335,B,hcp,7.667253791799999,0.0040097685,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,7.66131452025851,0.00045069146095579103,26.0,1.0,0.00495477450384703,-0.00495477450384703,B,hcp,7.660934919400001,0.0020115877,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,7.66131452025851,0.00045069146095579103,28.0,1.0,0.014160194554357707,0.014160194554357707,B,hcp,7.6623993773,0.0031303377,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,7.66131452025851,0.00045069146095579103,16.0,1.0,0.027738353984411778,0.027738353984411778,B,hcp,7.6634396427999985,0.0022571120000000004,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.12225289559283112,0.12225289559283112,B,hcp,7.6706806991,0.0043508301000000004,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,7.66131452025851,0.00045069146095579103,14.0,1.0,0.18077427058853288,0.18077427058853288,B,hcp,7.675164205700001,0.0070653544,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,7.66131452025851,0.00045069146095579103,22.0,1.0,0.011857937121745987,-0.011857937121745987,B,hcp,7.660406046399999,0.0027708646000000003,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,-0.37824292230027706,2.58499505368907e-06,24.0,1.0,-0.003276994636588196,-0.003276994636588196,E0,hcp,-0.3782305273,2.9300000000000004e-07,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,-0.37824292230027706,2.58499505368907e-06,20.0,1.0,-0.003128280684045007,-0.003128280684045007,E0,hcp,-0.3782310898,6.302e-07,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,-0.37824292230027706,2.58499505368907e-06,12.0,1.0,-0.02415378977124988,-0.02415378977124988,E0,hcp,-0.3781515623,9.246e-07,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,-0.37824292230027706,2.58499505368907e-06,10.0,1.0,-0.03655925653177916,-0.03655925653177916,E0,hcp,-0.3781046395,1.9151e-06,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,-0.37824292230027706,2.58499505368907e-06,18.0,1.0,-0.0016005852112774808,-0.0016005852112774808,E0,hcp,-0.3782368682,3.915e-07,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,-0.37824292230027706,2.58499505368907e-06,12.0,1.0,-0.014361088357368695,-0.014361088357368695,E0,hcp,-0.3781886025,8.424000000000002e-07,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,-0.37824292230027706,2.58499505368907e-06,16.0,1.0,-0.0018620309493720736,-0.0018620309493720736,E0,hcp,-0.3782358793,8.217e-07,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,-0.37824292230027706,2.58499505368907e-06,26.0,1.0,-0.0020850886591604195,-0.0020850886591604195,E0,hcp,-0.3782350356000001,4.432e-07,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,-0.37824292230027706,2.58499505368907e-06,28.0,1.0,-0.0009856100556660862,-0.0009856100556660862,E0,hcp,-0.3782391943,6.431999999999999e-07,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,-0.37824292230027706,2.58499505368907e-06,16.0,1.0,-0.007890484796263338,-0.007890484796263338,E0,hcp,-0.3782130771,5.095000000000001e-07,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,-0.004520322594023131,-0.004520322594023131,E0,hcp,-0.37822582450000003,1.0853e-06,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,-0.06104032267754037,-0.06104032267754037,E0,hcp,-0.3780120416,1.2144e-06,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,-0.37824292230027706,2.58499505368907e-06,22.0,1.0,-0.0010597423086350225,-0.0010597423086350225,E0,hcp,-0.37823891390000003,6.865999999999999e-07,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,-0.37824292230027706,2.58499505368907e-06,24.0,1.0,-0.003276994636588196,-0.003276994636588196,E0,hcp,-0.3782305273,2.9300000000000004e-07,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,-0.37824292230027706,2.58499505368907e-06,20.0,1.0,-0.003128280684045007,-0.003128280684045007,E0,hcp,-0.3782310898,6.302e-07,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,-0.37824292230027706,2.58499505368907e-06,12.0,1.0,-0.02415378977124988,-0.02415378977124988,E0,hcp,-0.3781515623,9.246e-07,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,-0.37824292230027706,2.58499505368907e-06,10.0,1.0,-0.03655925653177916,-0.03655925653177916,E0,hcp,-0.3781046395,1.9151e-06,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,-0.37824292230027706,2.58499505368907e-06,18.0,1.0,-0.0016005852112774808,-0.0016005852112774808,E0,hcp,-0.3782368682,3.915e-07,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,-0.37824292230027706,2.58499505368907e-06,12.0,1.0,-0.014361088357368695,-0.014361088357368695,E0,hcp,-0.3781886025,8.424000000000002e-07,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,-0.37824292230027706,2.58499505368907e-06,16.0,1.0,-0.0018620309493720736,-0.0018620309493720736,E0,hcp,-0.3782358793,8.217e-07,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,-0.37824292230027706,2.58499505368907e-06,26.0,1.0,-0.0020850886591604195,-0.0020850886591604195,E0,hcp,-0.3782350356000001,4.432e-07,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,-0.37824292230027706,2.58499505368907e-06,28.0,1.0,-0.0009856100556660862,-0.0009856100556660862,E0,hcp,-0.3782391943,6.431999999999999e-07,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,-0.37824292230027706,2.58499505368907e-06,16.0,1.0,-0.007890484796263338,-0.007890484796263338,E0,hcp,-0.3782130771,5.095000000000001e-07,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,-0.004520322594023131,-0.004520322594023131,E0,hcp,-0.37822582450000003,1.0853e-06,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,-0.37824292230027706,2.58499505368907e-06,14.0,1.0,-0.06104032267754037,-0.06104032267754037,E0,hcp,-0.3780120416,1.2144e-06,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,-0.37824292230027706,2.58499505368907e-06,22.0,1.0,-0.0010597423086350225,-0.0010597423086350225,E0,hcp,-0.37823891390000003,6.865999999999999e-07,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,7.73048639909196,0.0059412084561941214,24.0,1.0,0.2106675164702794,0.2106675164702794,dB,hcp,7.7467720228,0.0154609693,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,7.73048639909196,0.0059412084561941214,20.0,1.0,0.1813972144573826,-0.1813972144573826,dB,hcp,7.716463512100001,0.0332628976,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.804774804446303,-1.804774804446303,dB,hcp,7.5909685283,0.042941405700000004,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,7.73048639909196,0.0059412084561941214,10.0,1.0,0.9004217873821633,0.9004217873821633,dB,hcp,7.800093382899999,0.0951413265,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,7.73048639909196,0.0059412084561941214,18.0,1.0,0.3283791730235922,0.3283791730235922,dB,hcp,7.7558717064,0.0208340451,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.0384076350149178,-1.0384076350149178,dB,hcp,7.6502124381,0.0435624412,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.07809044063086466,-0.07809044063086466,dB,hcp,7.7244496282,0.0406593848,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,7.73048639909196,0.0059412084561941214,26.0,1.0,0.06898731744210845,-0.06898731744210845,dB,hcp,7.7251533439,0.0225776024,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,7.73048639909196,0.0059412084561941214,28.0,1.0,0.02204776672577104,0.02204776672577104,dB,hcp,7.7321907987,0.0318756148,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.4302832949278246,-0.4302832949278246,dB,hcp,7.6972234075,0.0262048734,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,0.7138983779147773,0.7138983779147773,dB,hcp,7.7856742161,0.0579563196,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,2.967780982305445,-2.967780982305445,dB,hcp,7.5010624939,0.055964100700000005,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,7.73048639909196,0.0059412084561941214,22.0,1.0,0.46717554166167485,0.46717554166167485,dB,hcp,7.7666013408,0.0366169178,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,7.73048639909196,0.0059412084561941214,24.0,1.0,0.2106675164702794,0.2106675164702794,dB,hcp,7.7467720228,0.0154609693,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,7.73048639909196,0.0059412084561941214,20.0,1.0,0.1813972144573826,-0.1813972144573826,dB,hcp,7.716463512100001,0.0332628976,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.804774804446303,-1.804774804446303,dB,hcp,7.5909685283,0.042941405700000004,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,7.73048639909196,0.0059412084561941214,10.0,1.0,0.9004217873821633,0.9004217873821633,dB,hcp,7.800093382899999,0.0951413265,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,7.73048639909196,0.0059412084561941214,18.0,1.0,0.3283791730235922,0.3283791730235922,dB,hcp,7.7558717064,0.0208340451,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,7.73048639909196,0.0059412084561941214,12.0,1.0,1.0384076350149178,-1.0384076350149178,dB,hcp,7.6502124381,0.0435624412,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.07809044063086466,-0.07809044063086466,dB,hcp,7.7244496282,0.0406593848,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,7.73048639909196,0.0059412084561941214,26.0,1.0,0.06898731744210845,-0.06898731744210845,dB,hcp,7.7251533439,0.0225776024,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,7.73048639909196,0.0059412084561941214,28.0,1.0,0.02204776672577104,0.02204776672577104,dB,hcp,7.7321907987,0.0318756148,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,7.73048639909196,0.0059412084561941214,16.0,1.0,0.4302832949278246,-0.4302832949278246,dB,hcp,7.6972234075,0.0262048734,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,0.7138983779147773,0.7138983779147773,dB,hcp,7.7856742161,0.0579563196,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,7.73048639909196,0.0059412084561941214,14.0,1.0,2.967780982305445,-2.967780982305445,dB,hcp,7.5010624939,0.055964100700000005,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,7.73048639909196,0.0059412084561941214,22.0,1.0,0.46717554166167485,0.46717554166167485,dB,hcp,7.7666013408,0.0366169178,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,63.3376520528584,0.00041623625218571296,24.0,1.0,0.002945405112338884,0.002945405112338884,v0,hcp,63.3395176033,0.0003107963,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,63.3376520528584,0.00041623625218571296,20.0,1.0,0.0038589359762735355,0.0038589359762735355,v0,hcp,63.3400962123,0.0006686347,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,63.3376520528584,0.00041623625218571296,12.0,1.0,0.041555372339403165,0.041555372339403165,v0,hcp,63.36397225,0.0007763360000000001,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,63.3376520528584,0.00041623625218571296,10.0,1.0,0.04172480804867846,0.04172480804867846,v0,hcp,63.3640795666,0.0018430901000000002,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,63.3376520528584,0.00041623625218571296,18.0,1.0,0.0034976265614415146,0.0034976265614415146,v0,hcp,63.3398673674,0.00042055010000000004,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,63.3376520528584,0.00041623625218571296,12.0,1.0,0.017411969474961403,0.017411969474961403,v0,hcp,63.3486803855,0.0008658355000000001,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,63.3376520528584,0.00041623625218571296,16.0,1.0,0.0031266543318382066,0.0031266543318382066,v0,hcp,63.3396324023,0.0007813570000000001,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,63.3376520528584,0.00041623625218571296,26.0,1.0,0.00013384338644234744,-0.00013384338644234744,v0,hcp,63.3375672796,0.0004437633,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,63.3376520528584,0.00041623625218571296,28.0,1.0,0.0007406688224022165,0.0007406688224022165,v0,hcp,63.3381211751,0.0006130954,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,63.3376520528584,0.00041623625218571296,16.0,1.0,0.00995348478206985,-0.00995348478206985,v0,hcp,63.3313477493,0.0005184332000000001,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,63.3376520528584,0.00041623625218571296,14.0,1.0,0.004050399025619382,0.004050399025619382,v0,hcp,63.3402174805,0.001172221,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,63.3376520528584,0.00041623625218571296,14.0,1.0,0.006447862252602562,-0.006447862252602562,v0,hcp,63.3335681283,0.0009989281,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,63.3376520528584,0.00041623625218571296,22.0,1.0,0.0015311940215166201,0.0015311940215166201,v0,hcp,63.338621875200005,0.0007397131000000001,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344507, -0.37520593, -0.37653017, -0.37744989, -0.37800459999999997, -0.37822498, -0.37813644, -0.37776663, -0.37713871, -0.37627297, -0.37519009000000003]",LDA,63.3376520528584,0.00041623625218571296,24.0,1.0,0.002945405112338884,0.002945405112338884,v0,hcp,63.3395176033,0.0003107963,"[60.0519549361, 60.6840807775, 61.3162066189, 61.9483324604, 62.5804583018, 63.2125841432, 63.8447099847, 64.4768358261, 65.1089616675, 65.741087509, 66.3732133504]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37344635, -0.37520552, -0.37653089, -0.37744851, -0.37800577, -0.37822456, -0.37813844, -0.37776737, -0.3771402, -0.37627327, -0.37519147]",LDA,63.3376520528584,0.00041623625218571296,20.0,1.0,0.0038589359762735355,0.0038589359762735355,v0,hcp,63.3400962123,0.0006686347,"[60.0517470153, 60.6838706681, 61.3159943209, 61.9481179737, 62.5802416265, 63.2123652792, 63.844488932, 64.4766125848, 65.1087362376, 65.7408598904, 66.3729835432]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37178447000000003, -0.37387302, -0.37550211, -0.3767161, -0.37753485000000003, -0.37800728, -0.3781527, -0.37799826000000003, -0.37757219999999997, -0.37689588, -0.37598818]",LDA,63.3376520528584,0.00041623625218571296,12.0,1.0,0.041555372339403165,0.041555372339403165,v0,hcp,63.36397225,0.0007763360000000001,"[59.6148947122, 60.2424199197, 60.8699451272, 61.4974703346, 62.1249955421, 62.7525207496, 63.3800459571, 64.0075711646, 64.6350963721, 65.2626215796, 65.8901467871]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37259401000000003, -0.37451281000000003, -0.37598763, -0.37704753, -0.3777233, -0.37806137, -0.37806862, -0.37780111, -0.37726982000000003, -0.37648146, -0.37547598]",LDA,63.3376520528584,0.00041623625218571296,10.0,1.0,0.04172480804867846,0.04172480804867846,v0,hcp,63.3640795666,0.0018430901000000002,"[59.8642075417, 60.4943570947, 61.1245066478, 61.7546562009, 62.3848057539, 63.014955307, 63.6451048601, 64.2752544131, 64.9054039662, 65.5355535193, 66.1657030724]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37356829999999996, -0.37530401, -0.37660217, -0.37750157, -0.37803326, -0.37823486, -0.37812797000000004, -0.37773962, -0.37709669, -0.37621468, -0.37511843]",LDA,63.3376520528584,0.00041623625218571296,18.0,1.0,0.0034976265614415146,0.0034976265614415146,v0,hcp,63.3398673674,0.00042055010000000004,"[60.0899422634, 60.7224679714, 61.3549936794, 61.9875193875, 62.6200450955, 63.2525708036, 63.8850965116, 64.5176222196, 65.1501479277, 65.7826736357, 66.4151993437]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37314485000000003, -0.37496041, -0.37633733, -0.3773064, -0.37790959999999996, -0.37817166, -0.37812205, -0.37779149, -0.37719938000000003, -0.37635951, -0.37530809]",LDA,63.3376520528584,0.00041623625218571296,12.0,1.0,0.017411969474961403,0.017411969474961403,v0,hcp,63.3486803855,0.0008658355000000001,"[59.9791756333, 60.6105353768, 61.2418951203, 61.8732548638, 62.5046146073, 63.1359743508, 63.7673340943, 64.3986938379, 65.0300535814, 65.6614133249, 66.2927730684]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37264507, -0.37457704, -0.37606292, -0.37713613, -0.37782794000000003, -0.37818075, -0.37821481, -0.37795507, -0.37743613, -0.37666978, -0.37568053]",LDA,63.3376520528584,0.00041623625218571296,16.0,1.0,0.0031266543318382066,0.0031266543318382066,v0,hcp,63.3396324023,0.0007813570000000001,"[59.8083598884, 60.4379215714, 61.0674832545, 61.6970449375, 62.3266066205, 62.9561683036, 63.5857299866, 64.2152916696, 64.8448533527, 65.4744150357, 66.1039767187]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3729943, -0.37485261000000003, -0.37627021, -0.37727533, -0.37791149999999996, -0.37820624, -0.37818833, -0.37788495, -0.37731772, -0.37651063, -0.37548207]",LDA,63.3376520528584,0.00041623625218571296,26.0,1.0,0.00013384338644234744,-0.00013384338644234744,v0,hcp,63.3375672796,0.0004437633,"[59.9085025863, 60.539118403, 61.1697342197, 61.8003500364, 62.4309658531, 63.0615816698, 63.6921974865, 64.3228133032, 64.9534291199, 65.5840449366, 66.2146607533]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37266379, -0.37459268, -0.37607458, -0.37714655, -0.37783545, -0.37818308, -0.37821613, -0.37795879, -0.37743529000000003, -0.37666874, -0.37567836]",LDA,63.3376520528584,0.00041623625218571296,28.0,1.0,0.0007406688224022165,0.0007406688224022165,v0,hcp,63.3381211751,0.0006130954,"[59.8106443163, 60.4402300459, 61.0698157755, 61.6994015052, 62.3289872348, 62.9585729645, 63.5881586941, 64.2177444238, 64.8473301534, 65.4769158831, 66.1065016127]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37309011000000003, -0.37492326, -0.37631596, -0.37730113, -0.37791402, -0.37819121, -0.37815741, -0.37783573, -0.37725365, -0.37642998, -0.37538829]",LDA,63.3376520528584,0.00041623625218571296,16.0,1.0,0.00995348478206985,-0.00995348478206985,v0,hcp,63.3313477493,0.0005184332000000001,"[59.9378467999, 60.5687715031, 61.1996962063, 61.8306209094, 62.4615456126, 63.0924703157, 63.7233950189, 64.354319722, 64.9852444252, 65.6161691284, 66.2470938315]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37361644, -0.37533959, -0.37662975, -0.37751055, -0.37803505, -0.37822733000000003, -0.37810508, -0.37771111, -0.37705573000000003, -0.37616451, -0.37506058000000003]",LDA,63.3376520528584,0.00041623625218571296,14.0,1.0,0.004050399025619382,0.004050399025619382,v0,hcp,63.3402174805,0.001172221,"[60.1117813352, 60.7445369282, 61.3772925212, 62.0100481142, 62.6428037072, 63.2755593002, 63.9083148932, 64.5410704862, 65.1738260792, 65.8065816722, 66.4393372652]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3715246, -0.37362875, -0.37528495, -0.37651113, -0.37735628, -0.37784875, -0.37801205, -0.37787679, -0.37747248, -0.37680952, -0.37592039]",LDA,63.3376520528584,0.00041623625218571296,14.0,1.0,0.006447862252602562,-0.006447862252602562,v0,hcp,63.3335681283,0.0009989281,"[59.5472719305, 60.1740853192, 60.800898708, 61.4277120967, 62.0545254855, 62.6813388742, 63.3081522629, 63.9349656517, 64.5617790404, 65.1885924292, 65.8154058179]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37359679, -0.37532533, -0.37662098, -0.37751079, -0.37804223000000003, -0.37823589, -0.37812784, -0.37773512000000004, -0.37708732, -0.37620304, -0.37510512]",LDA,63.3376520528584,0.00041623625218571296,22.0,1.0,0.0015311940215166201,0.0015311940215166201,v0,hcp,63.338621875200005,0.0007397131000000001,"[60.0970089523, 60.7296090465, 61.3622091408, 61.994809235, 62.6274093292, 63.2600094235, 63.8926095177, 64.5252096119, 65.1578097062, 65.7904098004, 66.4230098946]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,358.019646595082,0.01086062077959,6.0,2.0,0.9176034217187901,-0.9176034217187901,B,bcc,354.7344460675,0.1332004602,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,358.019646595082,0.01086062077959,60.0,2.0,0.0026341626421149543,-0.0026341626421149543,B,bcc,358.01021577529997,0.0566980921,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,358.019646595082,0.01086062077959,68.0,2.0,0.0027553928606360136,-0.0027553928606360136,B,bcc,358.00978174730005,0.0531293601,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,358.019646595082,0.01086062077959,64.0,2.0,0.0044383072362407,-0.0044383072362407,B,bcc,358.0037565832,0.05665717140000001,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,358.019646595082,0.01086062077959,58.0,2.0,0.03637064136575816,-0.03637064136575816,B,bcc,357.88943255339996,0.0483785294,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,358.019646595082,0.01086062077959,70.0,2.0,0.0037186574559885045,-0.0037186574559885045,B,bcc,358.0063330708,0.054452111,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,358.019646595082,0.01086062077959,6.0,2.0,0.9176034217187901,-0.9176034217187901,B,bcc,354.7344460675,0.1332004602,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,358.019646595082,0.01086062077959,60.0,2.0,0.0026341626421149543,-0.0026341626421149543,B,bcc,358.01021577529997,0.0566980921,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,358.019646595082,0.01086062077959,68.0,2.0,0.0027553928606360136,-0.0027553928606360136,B,bcc,358.00978174730005,0.0531293601,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,358.019646595082,0.01086062077959,64.0,2.0,0.0044383072362407,-0.0044383072362407,B,bcc,358.0037565832,0.05665717140000001,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,358.019646595082,0.01086062077959,58.0,2.0,0.03637064136575816,-0.03637064136575816,B,bcc,357.88943255339996,0.0483785294,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,358.019646595082,0.01086062077959,70.0,2.0,0.0037186574559885045,-0.0037186574559885045,B,bcc,358.0063330708,0.054452111,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,-10.3618164500032,4.52328274888549e-05,6.0,1.0,-0.8806130801822073,-0.8806130801822073,E0,bcc,-10.270568939,8.1233e-06,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,-10.3618164500032,4.52328274888549e-05,60.0,1.0,-0.0002847908312458308,-0.0002847908312458308,E0,bcc,-10.3617869405,3.4109e-06,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,-10.3618164500032,4.52328274888549e-05,68.0,1.0,-0.0009219493865906412,-0.0009219493865906412,E0,bcc,-10.3617209193,3.2092e-06,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,-10.3618164500032,4.52328274888549e-05,64.0,1.0,-0.0007102451925701152,-0.0007102451925701152,E0,bcc,-10.361742855700001,3.4085e-06,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,-10.3618164500032,4.52328274888549e-05,58.0,1.0,-0.0013690273697138456,-0.0013690273697138456,E0,bcc,-10.3616745939,2.9149000000000002e-06,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,-10.3618164500032,4.52328274888549e-05,70.0,1.0,-0.0004896400495451176,-0.0004896400495451176,E0,bcc,-10.3617657144,3.2757e-06,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,-10.3618164500032,4.52328274888549e-05,6.0,1.0,-0.8806130801822073,-0.8806130801822073,E0,bcc,-10.270568939,8.1233e-06,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,-10.3618164500032,4.52328274888549e-05,60.0,1.0,-0.0002847908312458308,-0.0002847908312458308,E0,bcc,-10.3617869405,3.4109e-06,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,-10.3618164500032,4.52328274888549e-05,68.0,1.0,-0.0009219493865906412,-0.0009219493865906412,E0,bcc,-10.3617209193,3.2092e-06,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,-10.3618164500032,4.52328274888549e-05,64.0,1.0,-0.0007102451925701152,-0.0007102451925701152,E0,bcc,-10.361742855700001,3.4085e-06,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,-10.3618164500032,4.52328274888549e-05,58.0,1.0,-0.0013690273697138456,-0.0013690273697138456,E0,bcc,-10.3616745939,2.9149000000000002e-06,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,-10.3618164500032,4.52328274888549e-05,70.0,1.0,-0.0004896400495451176,-0.0004896400495451176,E0,bcc,-10.3617657144,3.2757e-06,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,4.8920138315026,0.00606674166545543,6.0,1.0,1.2429286770582126,1.2429286770582126,dB,bcc,4.9528180743,0.0410488601,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,4.8920138315026,0.00606674166545543,60.0,1.0,0.3144163574998659,0.3144163574998659,dB,bcc,4.9073951232,0.0170580984,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,4.8920138315026,0.00606674166545543,68.0,1.0,0.3908701744517906,0.3908701744517906,dB,bcc,4.9111352544999995,0.016072719200000002,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,4.8920138315026,0.00606674166545543,64.0,1.0,0.30852240646187923,0.30852240646187923,dB,bcc,4.907106790299999,0.0170471043,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,4.8920138315026,0.00606674166545543,58.0,1.0,0.612800818434976,0.612800818434976,dB,bcc,4.9219921323,0.0145911497,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,4.8920138315026,0.00606674166545543,70.0,1.0,0.265645982309284,0.265645982309284,dB,bcc,4.905009269700001,0.016383061299999998,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,4.8920138315026,0.00606674166545543,6.0,1.0,1.2429286770582126,1.2429286770582126,dB,bcc,4.9528180743,0.0410488601,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,4.8920138315026,0.00606674166545543,60.0,1.0,0.3144163574998659,0.3144163574998659,dB,bcc,4.9073951232,0.0170580984,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,4.8920138315026,0.00606674166545543,68.0,1.0,0.3908701744517906,0.3908701744517906,dB,bcc,4.9111352544999995,0.016072719200000002,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,4.8920138315026,0.00606674166545543,64.0,1.0,0.30852240646187923,0.30852240646187923,dB,bcc,4.907106790299999,0.0170471043,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,4.8920138315026,0.00606674166545543,58.0,1.0,0.612800818434976,0.612800818434976,dB,bcc,4.9219921323,0.0145911497,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,4.8920138315026,0.00606674166545543,70.0,1.0,0.265645982309284,0.265645982309284,dB,bcc,4.905009269700001,0.016383061299999998,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,14.7785868211558,8.31474925209578e-05,6.0,1.0,0.285497626091014,0.285497626091014,v0,bcc,14.8207793357,0.0001958096,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,14.7785868211558,8.31474925209578e-05,60.0,1.0,0.0010825118648884941,-0.0010825118648884941,v0,bcc,14.778426841199998,8.100220000000001e-05,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,14.7785868211558,8.31474925209578e-05,68.0,1.0,0.00023754744769651645,-0.00023754744769651645,v0,bcc,14.778551715,7.637240000000001e-05,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,14.7785868211558,8.31474925209578e-05,64.0,1.0,0.000947840666343538,-0.000947840666343538,v0,bcc,14.778446743699998,8.094990000000001e-05,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,14.7785868211558,8.31474925209578e-05,58.0,1.0,0.001158295159551013,-0.001158295159551013,v0,bcc,14.7784156415,6.93038e-05,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,14.7785868211558,8.31474925209578e-05,70.0,1.0,0.0008995748876968143,-0.0008995748876968143,v0,bcc,14.7784538767,7.779460000000001e-05,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.22547944, -10.24237906, -10.2550635, -10.26389211, -10.26897776, -10.27056891, -10.26889469, -10.26410309, -10.25646165, -10.24600119, -10.23298594]",LDA,14.7785868211558,8.31474925209578e-05,6.0,1.0,0.285497626091014,0.285497626091014,v0,bcc,14.8207793357,0.0001958096,"[14.0826706811, 14.2309093198, 14.3791479586, 14.5273865973, 14.6756252361, 14.8238638748, 14.9721025135, 15.1203411523, 15.268579791, 15.4168184298, 15.5650570685]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31537887, -10.33258575, -10.34559627, -10.35465161, -10.35997909, -10.36179091, -10.36029164, -10.3556687, -10.34810422, -10.33776575, -10.324819250000001]",LDA,14.7785868211558,8.31474925209578e-05,60.0,1.0,0.0010825118648884941,-0.0010825118648884941,v0,bcc,14.778426841199998,8.100220000000001e-05,"[14.0342253166, 14.1819540041, 14.3296826917, 14.4774113792, 14.6251400668, 14.7728687543, 14.9205974419, 15.0683261294, 15.2160548169, 15.3637835045, 15.511512192]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31567315, -10.33280427, -10.34573919, -10.35472374, -10.35998144, -10.36172639, -10.3601631, -10.35547847, -10.34785507, -10.3374613, -10.32445829]",LDA,14.7785868211558,8.31474925209578e-05,68.0,1.0,0.00023754744769651645,-0.00023754744769651645,v0,bcc,14.778551715,7.637240000000001e-05,"[14.0371205433, 14.1848797069, 14.3326388705, 14.4803980341, 14.6281571977, 14.7759163613, 14.9236755249, 15.0714346886, 15.2191938522, 15.3669530158, 15.5147121794]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.3153365, -10.33254266, -10.34555292, -10.3546082, -10.35993508, -10.36174632, -10.36024794, -10.3556244, -10.34805997, -10.33772155, -10.32477507]",LDA,14.7785868211558,8.31474925209578e-05,64.0,1.0,0.000947840666343538,-0.000947840666343538,v0,bcc,14.778446743699998,8.094990000000001e-05,"[14.0342492745, 14.1819782143, 14.329707154, 14.4774360937, 14.6251650335, 14.7728939732, 14.9206229129, 15.0683518526, 15.2160807924, 15.3638097321, 15.5115386718]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31541147, -10.33258683, -10.34556948, -10.35459604, -10.35989519, -10.3616787, -10.3601518, -10.35550999, -10.34792991, -10.33757672, -10.32461033]",LDA,14.7785868211558,8.31474925209578e-05,58.0,1.0,0.001158295159551013,-0.001158295159551013,v0,bcc,14.7784156415,6.93038e-05,"[14.0352909509, 14.1830308556, 14.3307707604, 14.4785106651, 14.6262505699, 14.7739904746, 14.9217303793, 15.0694702841, 15.2172101888, 15.3649500936, 15.5126899983]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31535594, -10.33256264, -10.345573569999999, -10.35462922, -10.3599571, -10.36176927, -10.36027077, -10.3556495, -10.34808357, -10.33774833, -10.32479947]",LDA,14.7785868211558,8.31474925209578e-05,70.0,1.0,0.0008995748876968143,-0.0008995748876968143,v0,bcc,14.7784538767,7.779460000000001e-05,"[14.0342206876, 14.1819493264, 14.3296779653, 14.4774066041, 14.6251352429, 14.7728638817, 14.9205925205, 15.0683211594, 15.2160497982, 15.363778437, 15.5115070758]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,358.019646595082,0.01086062077959,64.0,2.0,10.916973635953227,10.916973635953227,B,fcc,397.1045570254,0.07030432040000001,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,358.019646595082,0.01086062077959,58.0,2.0,10.915080844603798,10.915080844603798,B,fcc,397.0977804605,0.0662785636,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,358.019646595082,0.01086062077959,58.0,2.0,10.915080844603798,10.915080844603798,B,fcc,397.0977804605,0.0662785636,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,358.019646595082,0.01086062077959,64.0,2.0,10.916973635953227,10.916973635953227,B,fcc,397.1045570254,0.07030432040000001,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,-10.3618164500032,4.52328274888549e-05,64.0,1.0,-7.240761717956981,7.240761717956981,E0,fcc,-11.112090888800001,4.1076e-06,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,-10.3618164500032,4.52328274888549e-05,58.0,1.0,-7.240755023184844,7.240755023184844,E0,fcc,-11.1120901951,3.8664e-06,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,-10.3618164500032,4.52328274888549e-05,58.0,1.0,-7.240755023184844,7.240755023184844,E0,fcc,-11.1120901951,3.8664e-06,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,-10.3618164500032,4.52328274888549e-05,64.0,1.0,-7.240761717956981,7.240761717956981,E0,fcc,-11.112090888800001,4.1076e-06,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,4.8920138315026,0.00606674166545543,64.0,1.0,0.589014101142661,0.589014101142661,dB,fcc,4.920828482799999,0.019106389,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,4.8920138315026,0.00606674166545543,58.0,1.0,0.5513594917436199,0.5513594917436199,dB,fcc,4.9189864141,0.0179742529,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,4.8920138315026,0.00606674166545543,58.0,1.0,0.5513594917436199,0.5513594917436199,dB,fcc,4.9189864141,0.0179742529,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,4.8920138315026,0.00606674166545543,64.0,1.0,0.589014101142661,0.589014101142661,dB,fcc,4.920828482799999,0.019106389,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,14.7785868211558,8.31474925209578e-05,64.0,1.0,3.020672135016001,-3.020672135016001,v0,fcc,14.3321741671,8.800649999999999e-05,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,14.7785868211558,8.31474925209578e-05,58.0,1.0,3.0207176569598797,-3.0207176569598797,v0,fcc,14.332167439600001,8.27718e-05,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06215285, -11.08066721, -11.09466767, -11.10441163, -11.11014425, -11.11209558, -11.11048296, -11.10551107, -11.09737595, -11.08626039, -11.07233735]",LDA,14.7785868211558,8.31474925209578e-05,58.0,1.0,3.0207176569598797,-3.0207176569598797,v0,fcc,14.332167439600001,8.27718e-05,"[13.6103898105, 13.7536570716, 13.8969243328, 14.040191594, 14.1834588551, 14.3267261163, 14.4699933775, 14.6132606386, 14.7565278998, 14.8997951609, 15.0430624221]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06229873, -11.08078173, -11.09475179, -11.10446827, -11.11017346, -11.11209732, -11.11045883, -11.10546168, -11.09730238, -11.08616365, -11.07221967]",LDA,14.7785868211558,8.31474925209578e-05,64.0,1.0,3.020672135016001,-3.020672135016001,v0,fcc,14.3321741671,8.800649999999999e-05,"[13.6114068759, 13.754684843, 13.8979628101, 14.0412407773, 14.1845187444, 14.3277967115, 14.4710746786, 14.6143526457, 14.7576306128, 14.9009085799, 15.0441865471]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",LDA,405.066446131207,0.007087198174695121,16.0,1.0,0.02356083057940975,-0.02356083057940975,B,hcp,404.9710091121,0.0637299442,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,405.066446131207,0.007087198174695121,36.0,1.0,0.027932535066188546,-0.027932535066188546,B,hcp,404.9533008041,0.0676022775,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,405.066446131207,0.007087198174695121,58.0,1.0,0.0005918092984209228,0.0005918092984209228,B,hcp,405.0688433521,0.0699309265,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,405.066446131207,0.007087198174695121,42.0,1.0,0.004861889498646548,-0.004861889498646548,B,hcp,405.0467522482,0.0678924952,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,405.066446131207,0.007087198174695121,40.0,1.0,0.0014056306962433182,-0.0014056306962433182,B,hcp,405.0607523929,0.0640475977,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,405.066446131207,0.007087198174695121,50.0,1.0,0.0006313079326643367,-0.0006313079326643367,B,hcp,405.0638889146,0.06814406840000001,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,405.066446131207,0.007087198174695121,34.0,1.0,0.0009239304915856616,-0.0009239304915856616,B,hcp,405.0627035988,0.0694807336,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,405.066446131207,0.007087198174695121,22.0,1.0,0.0003715981220745734,-0.0003715981220745734,B,hcp,405.0649409119,0.0698286219,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,405.066446131207,0.007087198174695121,38.0,1.0,0.0005843649923539527,-0.0005843649923539527,B,hcp,405.0640790647,0.0656059425,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,405.066446131207,0.007087198174695121,46.0,1.0,0.0035517276596060588,-0.0035517276596060588,B,hcp,405.05205927419996,0.0656360134,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,405.066446131207,0.007087198174695121,40.0,1.0,0.000788746645764755,-0.000788746645764755,B,hcp,405.0632511832,0.062889296,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,405.066446131207,0.007087198174695121,34.0,1.0,0.0006920399440066115,-0.0006920399440066115,B,hcp,405.0636429096,0.0651834432,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,405.066446131207,0.007087198174695121,30.0,1.0,0.006221512605561247,-0.006221512605561247,B,hcp,405.04124487120004,0.0638681603,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,405.066446131207,0.007087198174695121,28.0,1.0,0.0009047233958825512,-0.0009047233958825512,B,hcp,405.06278140029997,0.0665234967,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,405.066446131207,0.007087198174695121,32.0,1.0,0.005231246060827131,-0.005231246060827131,B,hcp,405.0452561087,0.0638623597,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,405.066446131207,0.007087198174695121,66.0,1.0,0.0009439042763314386,-0.0009439042763314386,B,hcp,405.06262269169997,0.06762482110000001,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,405.066446131207,0.007087198174695121,20.0,1.0,0.004003292783657338,-0.004003292783657338,B,hcp,405.0502301354,0.0661410509,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,405.066446131207,0.007087198174695121,62.0,1.0,0.0027073259984247873,-0.0027073259984247873,B,hcp,405.055479662,0.0708021846,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",LDA,405.066446131207,0.007087198174695121,12.0,1.0,0.011589576189630942,0.011589576189630942,B,hcp,405.1133916156,0.0697768913,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,405.066446131207,0.007087198174695121,48.0,1.0,0.002115174087818433,-0.002115174087818433,B,hcp,405.0578782707,0.0632733207,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194024, -22.50661594, -22.51335014, -22.51258104, -22.50473627, -22.49027269, -22.46952399, -22.44290362, -22.41070864]",LDA,405.066446131207,0.007087198174695121,8.0,1.0,0.01473385237484375,0.01473385237484375,B,hcp,405.1261280234,0.0692339628,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",LDA,405.066446131207,0.007087198174695121,10.0,1.0,0.03642460058496415,-0.03642460058496415,B,hcp,404.9189022961,0.07478660000000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,405.066446131207,0.007087198174695121,48.0,1.0,0.0011117272363513422,-0.0011117272363513422,B,hcp,405.0619428972,0.06898000809999999,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",LDA,405.066446131207,0.007087198174695121,44.0,1.0,0.03028359758715806,-0.03028359758715806,B,hcp,404.9437774387,0.0680032872,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,405.066446131207,0.007087198174695121,26.0,1.0,0.0012587232923512528,-0.0012587232923512528,B,hcp,405.06134746550003,0.0692760508,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031589, -22.47600168, -22.45542867, -22.428954009999998, -22.39692722]",LDA,405.066446131207,0.007087198174695121,18.0,1.0,0.033652309246783044,-0.033652309246783044,B,hcp,404.93013191809996,0.068538915,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,405.066446131207,0.007087198174695121,58.0,1.0,0.0005918092984209228,0.0005918092984209228,B,hcp,405.0688433521,0.0699309265,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",LDA,405.066446131207,0.007087198174695121,38.0,1.0,0.027003506375728875,-0.027003506375728875,B,hcp,404.9570639876,0.0675943913,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",LDA,405.066446131207,0.007087198174695121,20.0,1.0,0.03198471995012767,-0.03198471995012767,B,hcp,404.9368867628,0.0678115148,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",LDA,405.066446131207,0.007087198174695121,6.0,1.0,0.5042930964578838,-0.5042930964578838,B,hcp,403.0237240073,0.0717873554,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,405.066446131207,0.007087198174695121,42.0,1.0,0.004861889498646548,-0.004861889498646548,B,hcp,405.0467522482,0.0678924952,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",LDA,405.066446131207,0.007087198174695121,8.0,1.0,0.014746900555091404,0.014746900555091404,B,hcp,405.1261808772,0.0692220691,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,405.066446131207,0.007087198174695121,40.0,1.0,0.0014056306962433182,-0.0014056306962433182,B,hcp,405.0607523929,0.0640475977,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.4918004, -22.49869827, -22.49809948, -22.4904339, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",LDA,405.066446131207,0.007087198174695121,30.0,1.0,0.032846602940759945,-0.032846602940759945,B,hcp,404.933395564,0.06769877390000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,405.066446131207,0.007087198174695121,50.0,1.0,0.0006313079326643367,-0.0006313079326643367,B,hcp,405.0638889146,0.06814406840000001,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,405.066446131207,0.007087198174695121,34.0,1.0,0.0009239304915856616,-0.0009239304915856616,B,hcp,405.0627035988,0.0694807336,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,405.066446131207,0.007087198174695121,22.0,1.0,0.0003715981220745734,-0.0003715981220745734,B,hcp,405.0649409119,0.0698286219,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847663, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",LDA,405.066446131207,0.007087198174695121,14.0,1.0,0.04790889293854225,-0.04790889293854225,B,hcp,404.87238328120003,0.0725103037,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,405.066446131207,0.007087198174695121,38.0,1.0,0.0005843649923539527,-0.0005843649923539527,B,hcp,405.0640790647,0.0656059425,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,405.066446131207,0.007087198174695121,46.0,1.0,0.0035517276596060588,-0.0035517276596060588,B,hcp,405.05205927419996,0.0656360134,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",LDA,405.066446131207,0.007087198174695121,54.0,1.0,0.027782440358078666,-0.027782440358078666,B,hcp,404.9539087874,0.0684277158,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",LDA,405.066446131207,0.007087198174695121,26.0,1.0,0.02596790460222211,-0.02596790460222211,B,hcp,404.9612588629,0.0683646828,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,405.066446131207,0.007087198174695121,40.0,1.0,0.000788746645764755,-0.000788746645764755,B,hcp,405.0632511832,0.062889296,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",LDA,405.066446131207,0.007087198174695121,18.0,1.0,0.03362653246347438,-0.03362653246347438,B,hcp,404.93023633120004,0.06856660810000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",LDA,405.066446131207,0.007087198174695121,14.0,1.0,0.04791743617887751,-0.04791743617887751,B,hcp,404.8723486754,0.0725374952,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",LDA,405.066446131207,0.007087198174695121,24.0,1.0,0.02662471820045172,-0.02662471820045172,B,hcp,404.95859833139997,0.0652589868,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",LDA,405.066446131207,0.007087198174695121,4.0,1.0,0.4441407981801232,-0.4441407981801232,B,hcp,403.2673807842,0.1795591168,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",LDA,405.066446131207,0.007087198174695121,10.0,1.0,0.0364202270308976,-0.0364202270308976,B,hcp,404.9189200119,0.0747667279,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",LDA,405.066446131207,0.007087198174695121,16.0,1.0,0.02356008218367633,-0.02356008218367633,B,hcp,404.9710121436,0.0637232399,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,405.066446131207,0.007087198174695121,34.0,1.0,0.0006920399440066115,-0.0006920399440066115,B,hcp,405.0636429096,0.0651834432,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,405.066446131207,0.007087198174695121,30.0,1.0,0.006221512605561247,-0.006221512605561247,B,hcp,405.04124487120004,0.0638681603,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,405.066446131207,0.007087198174695121,36.0,1.0,0.027919037897872125,-0.027919037897872125,B,hcp,404.95335547660005,0.06760318380000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",LDA,405.066446131207,0.007087198174695121,22.0,1.0,0.0303887856381716,-0.0303887856381716,B,hcp,404.9433513572,0.06670975,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",LDA,405.066446131207,0.007087198174695121,12.0,1.0,0.011562165007823305,0.011562165007823305,B,hcp,405.1132805821,0.0697778322,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,405.066446131207,0.007087198174695121,28.0,1.0,0.0009047233958825512,-0.0009047233958825512,B,hcp,405.06278140029997,0.0665234967,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,405.066446131207,0.007087198174695121,32.0,1.0,0.005231246060827131,-0.005231246060827131,B,hcp,405.0452561087,0.0638623597,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,405.066446131207,0.007087198174695121,66.0,1.0,0.0009439042763314386,-0.0009439042763314386,B,hcp,405.06262269169997,0.06762482110000001,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",LDA,405.066446131207,0.007087198174695121,28.0,1.0,0.032664006453928494,-0.032664006453928494,B,hcp,404.9341352011,0.0674564377,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",LDA,405.066446131207,0.007087198174695121,4.0,1.0,0.4439823475589722,-0.4439823475589722,B,hcp,403.26802261449996,0.1794982891,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +59,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",LDA,405.066446131207,0.007087198174695121,6.0,1.0,0.5043271865192466,-0.5043271865192466,B,hcp,403.0235859199,0.071790457,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42128911, -22.45357008, -22.4768809, -22.49174367, -22.49864402, -22.49804664, -22.49038407, -22.47606889, -22.45549044, -22.42901127, -22.39698021]",LDA,405.066446131207,0.007087198174695121,52.0,1.0,0.029358637266258387,-0.029358637266258387,B,hcp,404.9475241426,0.0680967199,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,405.066446131207,0.007087198174695121,20.0,1.0,0.004003292783657338,-0.004003292783657338,B,hcp,405.0502301354,0.0661410509,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",LDA,405.066446131207,0.007087198174695121,24.0,1.0,0.026673540832349754,-0.026673540832349754,B,hcp,404.95840056730003,0.0652081591,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",LDA,405.066446131207,0.007087198174695121,50.0,1.0,0.028550368590528407,-0.028550368590528407,B,hcp,404.9507981678,0.0684231037,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",LDA,405.066446131207,0.007087198174695121,32.0,1.0,0.03153630838274221,-0.03153630838274221,B,hcp,404.93870312760004,0.0674726429,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,405.066446131207,0.007087198174695121,62.0,1.0,0.0027073259984247873,-0.0027073259984247873,B,hcp,405.055479662,0.0708021846,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +66,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,405.066446131207,0.007087198174695121,48.0,1.0,0.002115174087818433,-0.002115174087818433,B,hcp,405.0578782707,0.0632733207,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +67,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,405.066446131207,0.007087198174695121,48.0,1.0,0.0011117272363513422,-0.0011117272363513422,B,hcp,405.0619428972,0.06898000809999999,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +68,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,405.066446131207,0.007087198174695121,26.0,1.0,0.0012587232923512528,-0.0012587232923512528,B,hcp,405.06134746550003,0.0692760508,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",LDA,-22.5001119551549,5.08948357995278e-05,16.0,1.0,-0.004608793311632059,-0.004608793311632059,E0,hcp,-22.4990749715,6.987900000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,-22.5001119551549,5.08948357995278e-05,36.0,1.0,-0.003244965431085032,-0.003244965431085032,E0,hcp,-22.4993818343,7.4180999999999985e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,-22.5001119551549,5.08948357995278e-05,58.0,1.0,-3.432096211309961e-05,-3.432096211309961e-05,E0,hcp,-22.5001042329,8.128799999999999e-06,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,-22.5001119551549,5.08948357995278e-05,42.0,1.0,-0.0005058497269886877,-0.0005058497269886877,E0,hcp,-22.499998138400002,7.8912e-06,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,-22.5001119551549,5.08948357995278e-05,40.0,1.0,-0.0001235613634067735,0.0001235613634067735,E0,hcp,-22.5001397566,7.4448e-06,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,-22.5001119551549,5.08948357995278e-05,50.0,1.0,-3.1390710909306584e-05,3.1390710909306584e-05,E0,hcp,-22.500119018099998,7.936e-06,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,-22.5001119551549,5.08948357995278e-05,34.0,1.0,-0.000179534017348854,-0.000179534017348854,E0,hcp,-22.5000715598,8.0767e-06,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,-22.5001119551549,5.08948357995278e-05,22.0,1.0,-0.0013946945940913297,0.0013946945940913297,E0,hcp,-22.500425763000003,8.1163e-06,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,-22.5001119551549,5.08948357995278e-05,38.0,1.0,-0.0005079510498822575,-0.0005079510498822575,E0,hcp,-22.4999976656,7.6262e-06,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,-22.5001119551549,5.08948357995278e-05,46.0,1.0,-5.991016810569697e-05,-5.991016810569697e-05,E0,hcp,-22.500098475300003,7.6294e-06,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,-22.5001119551549,5.08948357995278e-05,40.0,1.0,-0.0001246586912839893,0.0001246586912839893,E0,hcp,-22.5001400035,7.3101e-06,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,-22.5001119551549,5.08948357995278e-05,34.0,1.0,-0.00019061485110292647,-0.00019061485110292647,E0,hcp,-22.5000690666,7.5775e-06,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,-22.5001119551549,5.08948357995278e-05,30.0,1.0,-1.4557060452985957e-05,-1.4557060452985957e-05,E0,hcp,-22.5001086798,7.4241000000000015e-06,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,-22.5001119551549,5.08948357995278e-05,28.0,1.0,-0.0012104768875955498,-0.0012104768875955498,E0,hcp,-22.4998395965,7.7322e-06,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,-22.5001119551549,5.08948357995278e-05,32.0,1.0,-0.00016909624793992514,0.00016909624793992514,E0,hcp,-22.500150001999998,7.422799999999999e-06,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,-22.5001119551549,5.08948357995278e-05,66.0,1.0,-0.0001770246964990056,-0.0001770246964990056,E0,hcp,-22.5000721244,7.8764e-06,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,-22.5001119551549,5.08948357995278e-05,20.0,1.0,-0.001104347193457623,-0.001104347193457623,E0,hcp,-22.499863475799998,7.6889e-06,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,-22.5001119551549,5.08948357995278e-05,62.0,1.0,-9.719042708086465e-05,-9.719042708086465e-05,E0,hcp,-22.500090087199997,8.2261e-06,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",LDA,-22.5001119551549,5.08948357995278e-05,12.0,1.0,-0.00046415571223508385,-0.00046415571223508385,E0,hcp,-22.5000075196,7.6563e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,-22.5001119551549,5.08948357995278e-05,48.0,1.0,-0.0002305559856866696,-0.0002305559856866696,E0,hcp,-22.5000600798,7.3675e-06,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194024, -22.50661594, -22.51335014, -22.51258104, -22.50473627, -22.49027269, -22.46952399, -22.44290362, -22.41070864]",LDA,-22.5001119551549,5.08948357995278e-05,8.0,1.0,-0.06127149932666585,0.06127149932666585,E0,hcp,-22.5138981111,7.529299999999998e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",LDA,-22.5001119551549,5.08948357995278e-05,10.0,1.0,-0.03911682516264443,-0.03911682516264443,E0,hcp,-22.491310625700002,8.251700000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,-22.5001119551549,5.08948357995278e-05,48.0,1.0,-0.00022726311317048276,-0.00022726311317048276,E0,hcp,-22.500060820700003,8.014500000000001e-06,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",LDA,-22.5001119551549,5.08948357995278e-05,44.0,1.0,-0.003513564539038057,-0.003513564539038057,E0,hcp,-22.4993213992,7.4620000000000016e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,-22.5001119551549,5.08948357995278e-05,26.0,1.0,-0.0007743901250297353,0.0007743901250297353,E0,hcp,-22.5002861938,8.0527e-06,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031589, -22.47600168, -22.45542867, -22.428954009999998, -22.39692722]",LDA,-22.5001119551549,5.08948357995278e-05,18.0,1.0,-0.00410255494166438,-0.00410255494166438,E0,hcp,-22.499188875700003,7.5227999999999985e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,-22.5001119551549,5.08948357995278e-05,58.0,1.0,-3.432096211309961e-05,-3.432096211309961e-05,E0,hcp,-22.5001042329,8.128799999999999e-06,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",LDA,-22.5001119551549,5.08948357995278e-05,38.0,1.0,-0.004087547460812168,-0.004087547460812168,E0,hcp,-22.499192252399997,7.4179000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",LDA,-22.5001119551549,5.08948357995278e-05,20.0,1.0,-0.004445217681110138,-0.004445217681110138,E0,hcp,-22.4991117762,7.4412e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",LDA,-22.5001119551549,5.08948357995278e-05,6.0,1.0,-0.2160411266032057,-0.2160411266032057,E0,hcp,-22.4515024598,8.193800000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,-22.5001119551549,5.08948357995278e-05,42.0,1.0,-0.0005058497269886877,-0.0005058497269886877,E0,hcp,-22.499998138400002,7.8912e-06,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",LDA,-22.5001119551549,5.08948357995278e-05,8.0,1.0,-0.061271415327068965,0.061271415327068965,E0,hcp,-22.513898092199998,7.5280000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,-22.5001119551549,5.08948357995278e-05,40.0,1.0,-0.0001235613634067735,0.0001235613634067735,E0,hcp,-22.5001397566,7.4448e-06,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.4918004, -22.49869827, -22.49809948, -22.4904339, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",LDA,-22.5001119551549,5.08948357995278e-05,30.0,1.0,-0.0035202418391464237,-0.0035202418391464237,E0,hcp,-22.4993198968,7.428099999999998e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,-22.5001119551549,5.08948357995278e-05,50.0,1.0,-3.1390710909306584e-05,3.1390710909306584e-05,E0,hcp,-22.500119018099998,7.936e-06,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,-22.5001119551549,5.08948357995278e-05,34.0,1.0,-0.000179534017348854,-0.000179534017348854,E0,hcp,-22.5000715598,8.0767e-06,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,-22.5001119551549,5.08948357995278e-05,22.0,1.0,-0.0013946945940913297,0.0013946945940913297,E0,hcp,-22.500425763000003,8.1163e-06,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847663, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",LDA,-22.5001119551549,5.08948357995278e-05,14.0,1.0,-0.015082557196436286,-0.015082557196436286,E0,hcp,-22.4967183629,7.9799e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,-22.5001119551549,5.08948357995278e-05,38.0,1.0,-0.0005079510498822575,-0.0005079510498822575,E0,hcp,-22.4999976656,7.6262e-06,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,-22.5001119551549,5.08948357995278e-05,46.0,1.0,-5.991016810569697e-05,-5.991016810569697e-05,E0,hcp,-22.500098475300003,7.6294e-06,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",LDA,-22.5001119551549,5.08948357995278e-05,54.0,1.0,-0.003499404609491662,-0.003499404609491662,E0,hcp,-22.4993245852,7.5088e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",LDA,-22.5001119551549,5.08948357995278e-05,26.0,1.0,-0.002687228650697924,-0.002687228650697924,E0,hcp,-22.4995073257,7.5002000000000015e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,-22.5001119551549,5.08948357995278e-05,40.0,1.0,-0.0001246586912839893,0.0001246586912839893,E0,hcp,-22.5001400035,7.3101e-06,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",LDA,-22.5001119551549,5.08948357995278e-05,18.0,1.0,-0.004102569163832802,-0.004102569163832802,E0,hcp,-22.4991888725,7.5257000000000015e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",LDA,-22.5001119551549,5.08948357995278e-05,14.0,1.0,-0.015082585640741553,-0.015082585640741553,E0,hcp,-22.4967183565,7.983000000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",LDA,-22.5001119551549,5.08948357995278e-05,24.0,1.0,-0.006287627624785555,-0.006287627624785555,E0,hcp,-22.4986972319,7.1641000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",LDA,-22.5001119551549,5.08948357995278e-05,4.0,1.0,-0.03991088210050005,-0.03991088210050005,E0,hcp,-22.491131961999997,1.8532200000000002e-05,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",LDA,-22.5001119551549,5.08948357995278e-05,10.0,1.0,-0.039116838051478156,-0.039116838051478156,E0,hcp,-22.4913106228,8.249500000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",LDA,-22.5001119551549,5.08948357995278e-05,16.0,1.0,-0.004608603090372177,-0.004608603090372177,E0,hcp,-22.499075014299997,6.9871e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,-22.5001119551549,5.08948357995278e-05,34.0,1.0,-0.00019061485110292647,-0.00019061485110292647,E0,hcp,-22.5000690666,7.5775e-06,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,-22.5001119551549,5.08948357995278e-05,30.0,1.0,-1.4557060452985957e-05,-1.4557060452985957e-05,E0,hcp,-22.5001086798,7.4241000000000015e-06,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,-22.5001119551549,5.08948357995278e-05,36.0,1.0,-0.0032449209868738445,-0.0032449209868738445,E0,hcp,-22.499381844299997,7.4182e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",LDA,-22.5001119551549,5.08948357995278e-05,22.0,1.0,-0.002023791062955322,-0.002023791062955322,E0,hcp,-22.499656599899996,7.319299999999999e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",LDA,-22.5001119551549,5.08948357995278e-05,12.0,1.0,-0.0004643637111857562,-0.0004643637111857562,E0,hcp,-22.500007472800004,7.6563e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,-22.5001119551549,5.08948357995278e-05,28.0,1.0,-0.0012104768875955498,-0.0012104768875955498,E0,hcp,-22.4998395965,7.7322e-06,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,-22.5001119551549,5.08948357995278e-05,32.0,1.0,-0.00016909624793992514,0.00016909624793992514,E0,hcp,-22.500150001999998,7.422799999999999e-06,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,-22.5001119551549,5.08948357995278e-05,66.0,1.0,-0.0001770246964990056,-0.0001770246964990056,E0,hcp,-22.5000721244,7.8764e-06,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",LDA,-22.5001119551549,5.08948357995278e-05,28.0,1.0,-0.004655461968308547,-0.004655461968308547,E0,hcp,-22.499064471,7.404299999999999e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",LDA,-22.5001119551549,5.08948357995278e-05,4.0,1.0,-0.03991061943512651,-0.03991061943512651,E0,hcp,-22.4911320211,1.85258e-05,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +59,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",LDA,-22.5001119551549,5.08948357995278e-05,6.0,1.0,-0.2160412723802702,-0.2160412723802702,E0,hcp,-22.451502426999998,8.1944e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42128911, -22.45357008, -22.4768809, -22.49174367, -22.49864402, -22.49804664, -22.49038407, -22.47606889, -22.45549044, -22.42901127, -22.39698021]",LDA,-22.5001119551549,5.08948357995278e-05,52.0,1.0,-0.0037577748794664976,-0.0037577748794664976,E0,hcp,-22.499266451599997,7.4725e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,-22.5001119551549,5.08948357995278e-05,20.0,1.0,-0.001104347193457623,-0.001104347193457623,E0,hcp,-22.499863475799998,7.6889e-06,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",LDA,-22.5001119551549,5.08948357995278e-05,24.0,1.0,-0.006287672957881281,-0.006287672957881281,E0,hcp,-22.498697221700002,7.1586e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",LDA,-22.5001119551549,5.08948357995278e-05,50.0,1.0,-0.0034996152750959527,-0.0034996152750959527,E0,hcp,-22.499324537800003,7.5083000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",LDA,-22.5001119551549,5.08948357995278e-05,32.0,1.0,-0.0033787518765124127,-0.0033787518765124127,E0,hcp,-22.499351732199997,7.4049e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,-22.5001119551549,5.08948357995278e-05,62.0,1.0,-9.719042708086465e-05,-9.719042708086465e-05,E0,hcp,-22.500090087199997,8.2261e-06,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +66,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,-22.5001119551549,5.08948357995278e-05,48.0,1.0,-0.0002305559856866696,-0.0002305559856866696,E0,hcp,-22.5000600798,7.3675e-06,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +67,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,-22.5001119551549,5.08948357995278e-05,48.0,1.0,-0.00022726311317048276,-0.00022726311317048276,E0,hcp,-22.500060820700003,8.014500000000001e-06,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +68,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,-22.5001119551549,5.08948357995278e-05,26.0,1.0,-0.0007743901250297353,0.0007743901250297353,E0,hcp,-22.5002861938,8.0527e-06,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",LDA,4.93020747360931,0.0022542435052515,16.0,1.0,0.8971825735014707,0.8971825735014707,dB,hcp,4.9744404359,0.0162188588,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,4.93020747360931,0.0022542435052515,36.0,1.0,0.8619565366805788,0.8619565366805788,dB,hcp,4.9727037192,0.0172185722,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,4.93020747360931,0.0022542435052515,58.0,1.0,0.04662394438762226,0.04662394438762226,dB,hcp,4.9325061308,0.0185994409,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,4.93020747360931,0.0022542435052515,42.0,1.0,0.020267344014597705,-0.020267344014597705,dB,hcp,4.9292082515,0.018055970600000002,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,4.93020747360931,0.0022542435052515,40.0,1.0,0.036337164691338165,-0.036337164691338165,dB,hcp,4.928415976,0.0170339584,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,4.93020747360931,0.0022542435052515,50.0,1.0,0.02862544219982726,0.02862544219982726,dB,hcp,4.9316187673,0.018170199,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,4.93020747360931,0.0022542435052515,34.0,1.0,0.014701736074392655,0.014701736074392655,dB,hcp,4.9309322997,0.0184813644,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,4.93020747360931,0.0022542435052515,22.0,1.0,0.011537327662866474,0.011537327662866474,dB,hcp,4.9307762878,0.018570520400000002,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,4.93020747360931,0.0022542435052515,38.0,1.0,0.024383361088254396,0.024383361088254396,dB,hcp,4.9314096239000005,0.017449434700000002,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,4.93020747360931,0.0022542435052515,46.0,1.0,0.04947267642885229,0.04947267642885229,dB,hcp,4.9326465792,0.0174559949,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,4.93020747360931,0.0022542435052515,40.0,1.0,0.04165446792415842,0.04165446792415842,dB,hcp,4.932261125299999,0.0167268447,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,4.93020747360931,0.0022542435052515,34.0,1.0,0.00042708566369827164,-0.00042708566369827164,dB,hcp,4.9301864174,0.017337204000000002,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,4.93020747360931,0.0022542435052515,30.0,1.0,0.014527790047864886,0.014527790047864886,dB,hcp,4.9309237238,0.0169883041,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,4.93020747360931,0.0022542435052515,28.0,1.0,0.062104613387556656,0.062104613387556656,dB,hcp,4.9332693599,0.0176913831,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,4.93020747360931,0.0022542435052515,32.0,1.0,0.0028899167317551575,0.0028899167317551575,dB,hcp,4.9303499525,0.0169831342,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,4.93020747360931,0.0022542435052515,66.0,1.0,0.01843334982461668,0.01843334982461668,dB,hcp,4.931116276,0.0180351836,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,4.93020747360931,0.0022542435052515,20.0,1.0,0.06828949749746725,-0.06828949749746725,dB,hcp,4.9268406597,0.0175936834,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,4.93020747360931,0.0022542435052515,62.0,1.0,0.006592499249359454,0.006592499249359454,dB,hcp,4.9305324975,0.01881933,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",LDA,4.93020747360931,0.0022542435052515,12.0,1.0,0.8862254139317908,0.8862254139317908,dB,hcp,4.9739002252,0.017764349500000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,4.93020747360931,0.0022542435052515,48.0,1.0,0.0008564063386014807,-0.0008564063386014807,dB,hcp,4.930165251,0.0168671621,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194024, -22.50661594, -22.51335014, -22.51258104, -22.50473627, -22.49027269, -22.46952399, -22.44290362, -22.41070864]",LDA,4.93020747360931,0.0022542435052515,8.0,1.0,0.8317813035293619,0.8317813035293619,dB,hcp,4.9712160176,0.017459781100000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",LDA,4.93020747360931,0.0022542435052515,10.0,1.0,0.896140670087157,0.896140670087157,dB,hcp,4.9743890679,0.0191606522,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,4.93020747360931,0.0022542435052515,48.0,1.0,0.00578811968537611,-0.00578811968537611,dB,hcp,4.9299221073,0.0183342802,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",LDA,4.93020747360931,0.0022542435052515,44.0,1.0,0.863993132514269,0.863993132514269,dB,hcp,4.9728041276,0.017319641400000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,4.93020747360931,0.0022542435052515,26.0,1.0,0.04174779905973177,-0.04174779905973177,dB,hcp,4.9281492205,0.0184251458,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031589, -22.47600168, -22.45542867, -22.428954009999998, -22.39692722]",LDA,4.93020747360931,0.0022542435052515,18.0,1.0,0.8658171287757178,0.8658171287757178,dB,hcp,4.9728940544,0.017462806799999998,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,4.93020747360931,0.0022542435052515,58.0,1.0,0.04662394438762226,0.04662394438762226,dB,hcp,4.9325061308,0.0185994409,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",LDA,4.93020747360931,0.0022542435052515,38.0,1.0,0.8618115650939242,0.8618115650939242,dB,hcp,4.9726965718,0.017217684,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",LDA,4.93020747360931,0.0022542435052515,20.0,1.0,0.8606899916044477,0.8606899916044477,dB,hcp,4.9726412759,0.0172725251,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",LDA,4.93020747360931,0.0022542435052515,6.0,1.0,1.0368874000603667,1.0368874000603667,dB,hcp,4.9813281737,0.019133750300000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,4.93020747360931,0.0022542435052515,42.0,1.0,0.020267344014597705,-0.020267344014597705,dB,hcp,4.9292082515,0.018055970600000002,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",LDA,4.93020747360931,0.0022542435052515,8.0,1.0,0.8321981156028967,0.8321981156028967,dB,hcp,4.9712365673,0.017457458800000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,4.93020747360931,0.0022542435052515,40.0,1.0,0.036337164691338165,-0.036337164691338165,dB,hcp,4.928415976,0.0170339584,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.4918004, -22.49869827, -22.49809948, -22.4904339, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",LDA,4.93020747360931,0.0022542435052515,30.0,1.0,0.8516064448693954,0.8516064448693954,dB,hcp,4.9721934382,0.0172425134,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,4.93020747360931,0.0022542435052515,50.0,1.0,0.02862544219982726,0.02862544219982726,dB,hcp,4.9316187673,0.018170199,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,4.93020747360931,0.0022542435052515,34.0,1.0,0.014701736074392655,0.014701736074392655,dB,hcp,4.9309322997,0.0184813644,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,4.93020747360931,0.0022542435052515,22.0,1.0,0.011537327662866474,0.011537327662866474,dB,hcp,4.9307762878,0.018570520400000002,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847663, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",LDA,4.93020747360931,0.0022542435052515,14.0,1.0,0.8367729960964077,0.8367729960964077,dB,hcp,4.9714621184,0.018528762600000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,4.93020747360931,0.0022542435052515,38.0,1.0,0.024383361088254396,0.024383361088254396,dB,hcp,4.9314096239000005,0.017449434700000002,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,4.93020747360931,0.0022542435052515,46.0,1.0,0.04947267642885229,0.04947267642885229,dB,hcp,4.9326465792,0.0174559949,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",LDA,4.93020747360931,0.0022542435052515,54.0,1.0,0.8704776243274752,0.8704776243274752,dB,hcp,4.9731238265,0.017428916000000003,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",LDA,4.93020747360931,0.0022542435052515,26.0,1.0,0.8620228462632303,0.8620228462632303,dB,hcp,4.9727069884,0.0174090716,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,4.93020747360931,0.0022542435052515,40.0,1.0,0.04165446792415842,0.04165446792415842,dB,hcp,4.932261125299999,0.0167268447,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",LDA,4.93020747360931,0.0022542435052515,18.0,1.0,0.8662972505581545,0.8662972505581545,dB,hcp,4.9729177254,0.017469406700000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",LDA,4.93020747360931,0.0022542435052515,14.0,1.0,0.8369817702718351,0.8369817702718351,dB,hcp,4.9714724114,0.0185354706,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",LDA,4.93020747360931,0.0022542435052515,24.0,1.0,0.8692122556724312,0.8692122556724312,dB,hcp,4.9730614412000005,0.0166282445,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",LDA,4.93020747360931,0.0022542435052515,4.0,1.0,0.28856884797374516,-0.28856884797374516,dB,hcp,4.9159804307,0.0429796522,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",LDA,4.93020747360931,0.0022542435052515,10.0,1.0,0.8961304047990768,0.8961304047990768,dB,hcp,4.9743885618,0.019155222,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",LDA,4.93020747360931,0.0022542435052515,16.0,1.0,0.8972611705994776,0.8972611705994776,dB,hcp,4.9744443109,0.0162167852,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,4.93020747360931,0.0022542435052515,34.0,1.0,0.00042708566369827164,-0.00042708566369827164,dB,hcp,4.9301864174,0.017337204000000002,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,4.93020747360931,0.0022542435052515,30.0,1.0,0.014527790047864886,0.014527790047864886,dB,hcp,4.9309237238,0.0169883041,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,4.93020747360931,0.0022542435052515,36.0,1.0,0.8621208603939948,0.8621208603939948,dB,hcp,4.9727118207,0.0172192535,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",LDA,4.93020747360931,0.0022542435052515,22.0,1.0,0.8739624431899651,0.8739624431899651,dB,hcp,4.9732956353,0.0169903683,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",LDA,4.93020747360931,0.0022542435052515,12.0,1.0,0.8860941172260298,0.8860941172260298,dB,hcp,4.973893752,0.0177650964,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,4.93020747360931,0.0022542435052515,28.0,1.0,0.062104613387556656,0.062104613387556656,dB,hcp,4.9332693599,0.0176913831,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,4.93020747360931,0.0022542435052515,32.0,1.0,0.0028899167317551575,0.0028899167317551575,dB,hcp,4.9303499525,0.0169831342,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,4.93020747360931,0.0022542435052515,66.0,1.0,0.01843334982461668,0.01843334982461668,dB,hcp,4.931116276,0.0180351836,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",LDA,4.93020747360931,0.0022542435052515,28.0,1.0,0.8827842544895402,0.8827842544895402,dB,hcp,4.9737305689,0.017187153700000003,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",LDA,4.93020747360931,0.0022542435052515,4.0,1.0,0.2852487605154404,-0.2852487605154404,dB,hcp,4.9161441179,0.0429640542,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +59,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",LDA,4.93020747360931,0.0022542435052515,6.0,1.0,1.036497556425947,1.036497556425947,dB,hcp,4.9813089536,0.019134371,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42128911, -22.45357008, -22.4768809, -22.49174367, -22.49864402, -22.49804664, -22.49038407, -22.47606889, -22.45549044, -22.42901127, -22.39698021]",LDA,4.93020747360931,0.0022542435052515,52.0,1.0,0.8783224828262413,0.8783224828262413,dB,hcp,4.9735105943,0.0173451871,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,4.93020747360931,0.0022542435052515,20.0,1.0,0.06828949749746725,-0.06828949749746725,dB,hcp,4.9268406597,0.0175936834,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",LDA,4.93020747360931,0.0022542435052515,24.0,1.0,0.8688552970638005,0.8688552970638005,dB,hcp,4.9730438424,0.0166165045,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",LDA,4.93020747360931,0.0022542435052515,50.0,1.0,0.8730257726695624,0.8730257726695624,dB,hcp,4.9732494555,0.0174287285,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",LDA,4.93020747360931,0.0022542435052515,32.0,1.0,0.8624302814494325,0.8624302814494325,dB,hcp,4.9727270758,0.017188634600000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,4.93020747360931,0.0022542435052515,62.0,1.0,0.006592499249359454,0.006592499249359454,dB,hcp,4.9305324975,0.01881933,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +66,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,4.93020747360931,0.0022542435052515,48.0,1.0,0.0008564063386014807,-0.0008564063386014807,dB,hcp,4.930165251,0.0168671621,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +67,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,4.93020747360931,0.0022542435052515,48.0,1.0,0.00578811968537611,-0.00578811968537611,dB,hcp,4.9299221073,0.0183342802,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +68,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,4.93020747360931,0.0022542435052515,26.0,1.0,0.04174779905973177,-0.04174779905973177,dB,hcp,4.9281492205,0.0184251458,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",LDA,28.549534815865,0.000458606332471434,16.0,1.0,0.023518531136518018,0.023518531136518018,v0,hcp,28.556249247100002,0.0001460259,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,28.549534815865,0.000458606332471434,36.0,1.0,0.02564705583548778,0.02564705583548778,v0,hcp,28.556856931,0.0001550582,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,28.549534815865,0.000458606332471434,58.0,1.0,0.0007875478057676564,0.0007875478057676564,v0,hcp,28.5497596571,0.0001706298,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,28.549534815865,0.000458606332471434,42.0,1.0,0.0015567992188549693,0.0015567992188549693,v0,hcp,28.549979274800002,0.00016564240000000005,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,28.549534815865,0.000458606332471434,40.0,1.0,0.001251308426926993,0.001251308426926993,v0,hcp,28.5498920586,0.00015626709999999998,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,28.549534815865,0.000458606332471434,50.0,1.0,0.0011699995714582318,0.0011699995714582318,v0,hcp,28.5498688453,0.00016674150000000002,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,28.549534815865,0.000458606332471434,34.0,1.0,0.0011209518370817843,0.0011209518370817843,v0,hcp,28.5498548424,0.00016954250000000002,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,28.549534815865,0.000458606332471434,22.0,1.0,0.0019450755978414694,0.0019450755978414694,v0,hcp,28.550090125900002,0.0001703606,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,28.549534815865,0.000458606332471434,38.0,1.0,0.0012704691594270935,0.0012704691594270935,v0,hcp,28.549897528899997,0.00016007899999999998,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,28.549534815865,0.000458606332471434,46.0,1.0,0.0013028843986299975,0.0013028843986299975,v0,hcp,28.5499067833,0.0001601405,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,28.549534815865,0.000458606332471434,40.0,1.0,0.0010838016695976307,0.0010838016695976307,v0,hcp,28.5498442362,0.0001534468,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,28.549534815865,0.000458606332471434,34.0,1.0,0.0010781325754860291,0.0010781325754860291,v0,hcp,28.5498426177,0.000159048,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,28.549534815865,0.000458606332471434,30.0,1.0,0.0013121234283261544,0.0013121234283261544,v0,hcp,28.549909421,0.0001558473,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,28.549534815865,0.000458606332471434,28.0,1.0,0.0024242252613361826,0.0024242252613361826,v0,hcp,28.550226920900002,0.0001622991,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,28.549534815865,0.000458606332471434,32.0,1.0,0.0018406465758152664,0.0018406465758152664,v0,hcp,28.5500603119,0.0001558003,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,28.549534815865,0.000458606332471434,66.0,1.0,0.0010985658331104703,0.0010985658331104703,v0,hcp,28.5498484513,0.0001655017,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,28.549534815865,0.000458606332471434,20.0,1.0,0.00281907512745404,0.00281907512745404,v0,hcp,28.5503396487,0.0001614052,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,28.549534815865,0.000458606332471434,62.0,1.0,0.0008704507327450669,0.0008704507327450669,v0,hcp,28.5497833255,0.0001726323,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",LDA,28.549534815865,0.000458606332471434,12.0,1.0,0.02550091404976529,0.02550091404976529,v0,hcp,28.556815208200003,0.0001599724,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,28.549534815865,0.000458606332471434,48.0,1.0,0.0010638083491003507,0.0010638083491003507,v0,hcp,28.549838528200002,0.0001547801,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194024, -22.50661594, -22.51335014, -22.51258104, -22.50473627, -22.49027269, -22.46952399, -22.44290362, -22.41070864]",LDA,28.549534815865,0.000458606332471434,8.0,1.0,0.0017951932958012512,0.0017951932958012512,v0,hcp,28.5500473352,0.00015682830000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",LDA,28.549534815865,0.000458606332471434,10.0,1.0,0.040642191930046256,0.040642191930046256,v0,hcp,28.5611379726,0.0001728198,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,28.549534815865,0.000458606332471434,48.0,1.0,0.0010098918839136306,0.0010098918839136306,v0,hcp,28.549823135300002,0.000168183,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",LDA,28.549534815865,0.000458606332471434,44.0,1.0,0.02553938753126548,0.02553938753126548,v0,hcp,28.5568261922,0.0001559733,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,28.549534815865,0.000458606332471434,26.0,1.0,0.0013389119558792034,0.0013389119558792034,v0,hcp,28.549917069,0.0001690309,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031589, -22.47600168, -22.45542867, -22.428954009999998, -22.39692722]",LDA,28.549534815865,0.000458606332471434,18.0,1.0,0.026306998987685622,0.026306998987685622,v0,hcp,28.5570453417,0.0001572721,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39868093, -22.43629609, -22.46473739, -22.48453005, -22.49616351, -22.50011613, -22.49682432, -22.48671335, -22.47017267, -22.44757843, -22.41928569]",LDA,28.549534815865,0.000458606332471434,58.0,1.0,0.0007875478057676564,0.0007875478057676564,v0,hcp,28.5497596571,0.0001706298,"[27.1124620625, 27.3978564, 27.6832507375, 27.968645075, 28.2540394125, 28.53943375, 28.8248280875, 29.110222425, 29.3956167625, 29.6810111, 29.9664054375]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",LDA,28.549534815865,0.000458606332471434,38.0,1.0,0.025824468533572707,0.025824468533572707,v0,hcp,28.556907581500006,0.00015505680000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",LDA,28.549534815865,0.000458606332471434,20.0,1.0,0.025653759622476274,0.025653759622476274,v0,hcp,28.5568588449,0.0001555496,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",LDA,28.549534815865,0.000458606332471434,6.0,1.0,0.14407011813076295,0.14407011813076295,v0,hcp,28.5906661644,0.000174212,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39856521, -22.43618254, -22.46462249, -22.4844174, -22.49605351, -22.50000897, -22.49672335, -22.48661369, -22.47007592, -22.44748692, -22.41919428]",LDA,28.549534815865,0.000458606332471434,42.0,1.0,0.0015567992188549693,0.0015567992188549693,v0,hcp,28.549979274800002,0.00016564240000000005,"[27.1125397713, 27.3979349268, 27.6833300823, 27.9687252378, 28.2541203932, 28.5395155487, 28.8249107042, 29.1103058597, 29.3957010152, 29.681096170700002, 29.9664913262]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",LDA,28.549534815865,0.000458606332471434,8.0,1.0,0.0017933162074234967,0.0017933162074234967,v0,hcp,28.5500467993,0.0001568057,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871453, -22.43633061, -22.46477074, -22.48456242, -22.49619588, -22.50015071, -22.4968621, -22.48675005, -22.47021444, -22.44762006, -22.41932326]",LDA,28.549534815865,0.000458606332471434,40.0,1.0,0.001251308426926993,0.001251308426926993,v0,hcp,28.5498920586,0.00015626709999999998,"[27.1125239811, 27.3979189704, 27.6833139596, 27.9687089489, 28.2541039382, 28.5394989275, 28.8248939167, 29.110288906, 29.3956838953, 29.6810788846, 29.9664738738]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.4918004, -22.49869827, -22.49809948, -22.4904339, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",LDA,28.549534815865,0.000458606332471434,30.0,1.0,0.025424553436034905,0.025424553436034905,v0,hcp,28.5567934076,0.0001552722,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39905507, -22.43659514, -22.46495841, -22.48467912, -22.49624676, -22.50013391, -22.49677848, -22.48660404, -22.47000895, -22.44735848, -22.41900904]",LDA,28.549534815865,0.000458606332471434,50.0,1.0,0.0011699995714582318,0.0011699995714582318,v0,hcp,28.5498688453,0.00016674150000000002,"[27.1149738176, 27.4003945947, 27.6858153717, 27.9712361487, 28.2566569257, 28.5420777028, 28.8274984798, 29.1129192568, 29.3983400339, 29.6837608109, 29.9691815879]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39865577, -22.43627272, -22.46470812, -22.48449765, -22.49613022, -22.50008437, -22.49679315, -22.48667925, -22.47013637, -22.44754124, -22.41924871]",LDA,28.549534815865,0.000458606332471434,34.0,1.0,0.0011209518370817843,0.0011209518370817843,v0,hcp,28.5498548424,0.00016954250000000002,"[27.1125853064, 27.3979809412, 27.683376576, 27.9687722108, 28.2541678456, 28.5395634804, 28.8249591152, 29.11035475, 29.3957503848, 29.6811460196, 29.9665416544]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39898568, -22.43660483, -22.46504901, -22.48484148, -22.49648368, -22.50043586, -22.4971527, -22.48703769, -22.47050404, -22.44791211, -22.4196202]",LDA,28.549534815865,0.000458606332471434,22.0,1.0,0.0019450755978414694,0.0019450755978414694,v0,hcp,28.550090125900002,0.0001703606,"[27.1126461421, 27.3980424172, 27.6834386924, 27.9688349676, 28.2542312428, 28.539627518, 28.8250237931, 29.1104200683, 29.3958163435, 29.681212618700002, 29.9666088939]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847663, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",LDA,28.549534815865,0.000458606332471434,14.0,1.0,0.03357128372428505,0.03357128372428505,v0,hcp,28.5591192612,0.00016699570000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39857804, -22.43619581, -22.46463448, -22.48442058, -22.49605978, -22.50000763, -22.49671837, -22.48660536, -22.47006485, -22.44747142, -22.41917499]",LDA,28.549534815865,0.000458606332471434,38.0,1.0,0.0012704691594270935,0.0012704691594270935,v0,hcp,28.549897528899997,0.00016007899999999998,"[27.1126107673, 27.3980066701, 27.6834025729, 27.9687984757, 28.2541943785, 28.5395902814, 28.8249861842, 29.110382087, 29.3957779898, 29.6811738926, 29.9665697954]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39866887, -22.43628824, -22.46473035, -22.48451717, -22.49615828, -22.50010927, -22.49682126, -22.48670878, -22.47017339, -22.44758183, -22.41928837]",LDA,28.549534815865,0.000458606332471434,46.0,1.0,0.0013028843986299975,0.0013028843986299975,v0,hcp,28.5499067833,0.0001601405,"[27.1125463775, 27.3979416025, 27.6833368275, 27.9687320526, 28.2541272776, 28.5395225026, 28.8249177276, 29.1103129527, 29.3957081777, 29.6811034027, 29.9664986277]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",LDA,28.549534815865,0.000458606332471434,54.0,1.0,0.025645144771078234,0.025645144771078234,v0,hcp,28.5568563854,0.00015695719999999998,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",LDA,28.549534815865,0.000458606332471434,26.0,1.0,0.025123247650997892,0.025123247650997892,v0,hcp,28.5567073862,0.0001567688,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39871209, -22.43633147, -22.46477243, -22.48456419, -22.49619765, -22.50014915, -22.49686075, -22.48675199, -22.47021147, -22.44761954, -22.41932382]",LDA,28.549534815865,0.000458606332471434,40.0,1.0,0.0010838016695976307,0.0010838016695976307,v0,hcp,28.5498442362,0.0001534468,"[27.1125125534, 27.3979074224, 27.6833022914, 27.9686971604, 28.2540920294, 28.5394868984, 28.8248817674, 29.1102766363, 29.3956715053, 29.6810663743, 29.9664612433]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",LDA,28.549534815865,0.000458606332471434,18.0,1.0,0.026304835730016643,0.026304835730016643,v0,hcp,28.5570447241,0.0001573318,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",LDA,28.549534815865,0.000458606332471434,14.0,1.0,0.033570513133794326,0.033570513133794326,v0,hcp,28.5591190412,0.0001670575,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",LDA,28.549534815865,0.000458606332471434,24.0,1.0,0.026759663806340168,0.026759663806340168,v0,hcp,28.5571745754,0.0001497653,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",LDA,28.549534815865,0.000458606332471434,4.0,1.0,0.12507919864654565,-0.12507919864654565,v0,hcp,28.5138252865,0.0003800372,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",LDA,28.549534815865,0.000458606332471434,10.0,1.0,0.04064219893541492,0.04064219893541492,v0,hcp,28.5611379746,0.0001727691,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",LDA,28.549534815865,0.000458606332471434,16.0,1.0,0.023519515390728087,0.023519515390728087,v0,hcp,28.5562495281,0.0001460075,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39865824, -22.4362735, -22.4647085, -22.48449786, -22.49612957, -22.5000799, -22.49678936, -22.48667297, -22.47013398, -22.44753821, -22.41923981]",LDA,28.549534815865,0.000458606332471434,34.0,1.0,0.0010781325754860291,0.0010781325754860291,v0,hcp,28.5498426177,0.000159048,"[27.1126004384, 27.3979962325, 27.6833920266, 27.9687878207, 28.2541836148, 28.5395794089, 28.824975203, 29.1103709971, 29.3957667912, 29.6811625852, 29.9665583793]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39869253, -22.43630867, -22.46474529, -22.48453442, -22.4961675, -22.50011873, -22.49683081, -22.48671746, -22.47017875, -22.44758828, -22.41929151]",LDA,28.549534815865,0.000458606332471434,30.0,1.0,0.0013121234283261544,0.0013121234283261544,v0,hcp,28.549909421,0.0001558473,"[27.1126024792, 27.3979982948, 27.6833941104, 27.968789926, 28.2541857415, 28.5395815571, 28.8249773727, 29.1103731882, 29.3957690038, 29.6811648194, 29.966560635]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",LDA,28.549534815865,0.000458606332471434,36.0,1.0,0.025646749000377663,0.025646749000377663,v0,hcp,28.556856843400002,0.00015506570000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",LDA,28.549534815865,0.000458606332471434,22.0,1.0,0.02530707831702985,0.02530707831702985,v0,hcp,28.556759869,0.0001529993,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",LDA,28.549534815865,0.000458606332471434,12.0,1.0,0.025499567618007774,0.025499567618007774,v0,hcp,28.5568148238,0.0001599784,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39839658, -22.43601893, -22.4644628, -22.48425748, -22.49589612, -22.49985098, -22.4965627, -22.48645415, -22.46991555, -22.44732902, -22.41903406]",LDA,28.549534815865,0.000458606332471434,28.0,1.0,0.0024242252613361826,0.0024242252613361826,v0,hcp,28.550226920900002,0.0001622991,"[27.1127903, 27.3981880927, 27.6835858853, 27.9689836779, 28.2543814706, 28.5397792632, 28.8251770558, 29.1105748485, 29.3959726411, 29.6813704337, 29.9667682264]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39871118, -22.43633319, -22.46477286, -22.48456811, -22.49620359, -22.50016031, -22.49687507, -22.48676748, -22.47023005, -22.44764202, -22.41934898]",LDA,28.549534815865,0.000458606332471434,32.0,1.0,0.0018406465758152664,0.0018406465758152664,v0,hcp,28.5500603119,0.0001558003,"[27.1125986811, 27.3979944567, 27.6833902322, 27.9687860078, 28.2541817834, 28.539577559, 28.8249733346, 29.1103691102, 29.3957648858, 29.6811606614, 29.966556437]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39903188, -22.43656693, -22.46492528, -22.48464068, -22.49620431, -22.50008623, -22.49672657, -22.48655281, -22.4699492, -22.4472959, -22.4189438]",LDA,28.549534815865,0.000458606332471434,66.0,1.0,0.0010985658331104703,0.0010985658331104703,v0,hcp,28.5498484513,0.0001655017,"[27.1151069306, 27.4005291088, 27.685951287, 27.9713734652, 28.2567956434, 28.5422178216, 28.8276399999, 29.1130621781, 29.3984843563, 29.6839065345, 29.9693287127]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",LDA,28.549534815865,0.000458606332471434,28.0,1.0,0.02640319179844648,0.02640319179844648,v0,hcp,28.5570728043,0.0001547904,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",LDA,28.549534815865,0.000458606332471434,4.0,1.0,0.12508404145751675,-0.12508404145751675,v0,hcp,28.513823903899997,0.0003799038,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +59,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",LDA,28.549534815865,0.000458606332471434,6.0,1.0,0.1440704568403067,0.1440704568403067,v0,hcp,28.5906662611,0.00017421840000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42128911, -22.45357008, -22.4768809, -22.49174367, -22.49864402, -22.49804664, -22.49038407, -22.47606889, -22.45549044, -22.42901127, -22.39698021]",LDA,28.549534815865,0.000458606332471434,52.0,1.0,0.025707374856835365,0.025707374856835365,v0,hcp,28.5568741518,0.00015620410000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3984597, -22.43606586, -22.46450594, -22.48429492, -22.49592074, -22.49987658, -22.49658221, -22.48646553, -22.469932149999998, -22.44733285, -22.41903227]",LDA,28.549534815865,0.000458606332471434,20.0,1.0,0.00281907512745404,0.00281907512745404,v0,hcp,28.5503396487,0.0001614052,"[27.1130582386, 27.3984588517, 27.6838594647, 27.9692600778, 28.2546606908, 28.5400613038, 28.8254619169, 29.1108625299, 29.396263143, 29.681663756, 29.967064369]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",LDA,28.549534815865,0.000458606332471434,24.0,1.0,0.026760140521634144,0.026760140521634144,v0,hcp,28.5571747115,0.0001496585,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",LDA,28.549534815865,0.000458606332471434,50.0,1.0,0.025710950046440195,0.025710950046440195,v0,hcp,28.5568751725,0.0001569545,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",LDA,28.549534815865,0.000458606332471434,32.0,1.0,0.025970385797248207,0.025970385797248207,v0,hcp,28.5569492402,0.0001547965,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39857561, -22.43620819, -22.46466996, -22.48447806, -22.49613026, -22.50010125, -22.49682961, -22.48673093, -22.47020798, -22.44762888, -22.41935141]",LDA,28.549534815865,0.000458606332471434,62.0,1.0,0.0008704507327450669,0.0008704507327450669,v0,hcp,28.5497833255,0.0001726323,"[27.1118248883, 27.3972125187, 27.6826001491, 27.9679877795, 28.2533754099, 28.5387630403, 28.8241506707, 29.1095383011, 29.3949259315, 29.6803135619, 29.9657011924]" +66,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39896466, -22.43650966, -22.46488377, -22.48460651, -22.49618164, -22.50007117, -22.49672555, -22.48655878, -22.46996833, -22.44732394, -22.41897698]",LDA,28.549534815865,0.000458606332471434,48.0,1.0,0.0010638083491003507,0.0010638083491003507,v0,hcp,28.549838528200002,0.0001547801,"[27.1147071699, 27.4001251401, 27.6855431103, 27.9709610805, 28.2563790507, 28.5417970209, 28.8272149911, 29.1126329614, 29.3980509316, 29.6834689018, 29.968886872]" +67,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39854874, -22.4361835, -22.46464074, -22.48444977, -22.49610437, -22.50007075, -22.49679564, -22.48670424, -22.47017541, -22.44759594, -22.41931652]",LDA,28.549534815865,0.000458606332471434,48.0,1.0,0.0010098918839136306,0.0010098918839136306,v0,hcp,28.549823135300002,0.000168183,"[27.111888555, 27.3972768556, 27.6826651561, 27.9680534567, 28.2534417573, 28.5388300579, 28.8242183585, 29.109606659, 29.3949949596, 29.6803832602, 29.9657715608]" +68,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39886591, -22.43647813, -22.46491994, -22.48470729, -22.49634602, -22.50029716, -22.49700934, -22.48689584, -22.47035552, -22.44776401, -22.41946738]",LDA,28.549534815865,0.000458606332471434,26.0,1.0,0.0013389119558792034,0.0013389119558792034,v0,hcp,28.549917069,0.0001690309,"[27.1125714439, 27.3979669328, 27.6833624217, 27.9687579106, 28.2541533994, 28.5395488883, 28.8249443772, 29.1103398661, 29.395735355, 29.6811308439, 29.9665263327]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,372.08786638410004,467.217736450971,46.0,1.0,0.008378246972411517,-0.008378246972411517,B,hcp,372.0566919437,0.0666914562,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,372.08786638410004,467.217736450971,4.0,1.0,0.15731688527992915,-0.15731688527992915,B,hcp,371.5025093422,0.2011895132,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",LDA,372.08786638410004,467.217736450971,34.0,1.0,0.0020939036727287766,-0.0020939036727287766,B,hcp,372.08007522260004,0.07105897679999999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,372.08786638410004,467.217736450971,12.0,1.0,0.010116360946101355,-0.010116360946101355,B,hcp,372.0502246325,0.0934709183,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,372.08786638410004,467.217736450971,10.0,1.0,0.29993518048448914,-0.29993518048448914,B,hcp,370.9718439705,0.085965734,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,372.08786638410004,467.217736450971,44.0,1.0,0.007195219897984967,-0.007195219897984967,B,hcp,372.0610938439,0.0686815699,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -1326.0662, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",LDA,372.08786638410004,467.217736450971,58.0,1.0,1433858.6858966055,1433858.6858966055,B,hcp,5335586.279182158,14794699.073672893,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,372.08786638410004,467.217736450971,60.0,1.0,0.005323316530731723,-0.005323316530731723,B,hcp,372.06805896919997,0.0692144999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,372.08786638410004,467.217736450971,38.0,1.0,0.007114535783512184,-0.007114535783512184,B,hcp,372.06139405970004,0.0670857517,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,372.08786638410004,467.217736450971,54.0,1.0,142849.79760452398,142849.79760452398,B,hcp,531898.8519070626,625254.6341729864,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,372.08786638410004,467.217736450971,8.0,1.0,0.08121713407018398,-0.08121713407018398,B,hcp,371.7856672828,0.0997779715,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,372.08786638410004,467.217736450971,28.0,1.0,0.02239500229066991,-0.02239500229066991,B,hcp,372.0045372979,0.0595579311,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",LDA,372.08786638410004,467.217736450971,26.0,1.0,0.02761515899417949,-0.02761515899417949,B,hcp,371.9851137282,0.06535228130000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.85018, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",LDA,372.08786638410004,467.217736450971,24.0,1.0,0.020465805278766732,-0.020465805278766732,B,hcp,372.01171560589995,0.07683202089999999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,372.08786638410004,467.217736450971,20.0,1.0,0.03789396251218411,0.03789396251218411,B,hcp,372.2288652207,0.06984991410000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,372.08786638410004,467.217736450971,16.0,1.0,0.08484979638496046,-0.08484979638496046,B,hcp,371.7721505871,0.0678092718,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",LDA,372.08786638410004,467.217736450971,64.0,1.0,0.012416826339708864,-0.012416826339708864,B,hcp,372.0416648799,0.0693270705,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,372.08786638410004,467.217736450971,48.0,1.0,0.022782979413942164,-0.022782979413942164,B,hcp,372.0030936821,0.0682650766,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,372.08786638410004,467.217736450971,18.0,1.0,0.016329648125978757,-0.016329648125978757,B,hcp,372.02710574480005,0.0644812161,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,372.08786638410004,467.217736450971,52.0,1.0,0.0058229477114007866,-0.0058229477114007866,B,hcp,372.0661999022,0.0674589309,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786925, -24.815558, -24.835773, -24.848021, -24.852733, -24.850318, -24.841162, -24.825641, -24.804098, -24.776861, -24.744241]",LDA,372.08786638410004,467.217736450971,62.0,1.0,0.007638041217597668,-0.007638041217597668,B,hcp,372.05944615949994,0.06885406520000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,372.08786638410004,467.217736450971,20.0,1.0,0.03789396251218411,0.03789396251218411,B,hcp,372.2288652207,0.06984991410000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,372.08786638410004,467.217736450971,6.0,1.0,0.22278700363322734,0.22278700363322734,B,hcp,372.9168297925,0.1081163396,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,372.08786638410004,467.217736450971,14.0,1.0,0.06482326815542255,0.06482326815542255,B,hcp,372.3290658995,0.06572836209999999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,372.08786638410004,467.217736450971,44.0,1.0,1348231.365991357,1348231.365991357,B,hcp,5016977.411504832,8253083.0227404125,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",LDA,372.08786638410004,467.217736450971,40.0,1.0,0.010662917172130339,-0.010662917172130339,B,hcp,372.04819096309996,0.0667634753,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",LDA,372.08786638410004,467.217736450971,26.0,1.0,0.02751524313193973,-0.02751524313193973,B,hcp,371.985485503,0.065588272,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,372.08786638410004,467.217736450971,12.0,1.0,0.010116360946101355,-0.010116360946101355,B,hcp,372.0502246325,0.0934709183,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,372.08786638410004,467.217736450971,56.0,1.0,0.013437643851691577,-0.013437643851691577,B,hcp,372.0378665418,0.0695263037,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",LDA,372.08786638410004,467.217736450971,32.0,1.0,0.024866518653019604,-0.024866518653019604,B,hcp,371.9953410854,0.06677385570000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,372.08786638410004,467.217736450971,8.0,1.0,0.08121713407018398,-0.08121713407018398,B,hcp,371.7856672828,0.0997779715,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -16251.983, -24.804135, -24.776901, -24.74428]",LDA,372.08786638410004,467.217736450971,30.0,1.0,9608959.770228405,9608959.770228405,B,hcp,35754145.47861577,60266959.00183324,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,372.08786638410004,467.217736450971,50.0,1.0,0.01590819627505215,-0.01590819627505215,B,hcp,372.028673916,0.0678454488,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,372.08786638410004,467.217736450971,4.0,1.0,0.15731688527992915,-0.15731688527992915,B,hcp,371.5025093422,0.2011895132,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,372.08786638410004,467.217736450971,38.0,1.0,0.007114535783512184,-0.007114535783512184,B,hcp,372.06139405970004,0.0670857517,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,372.08786638410004,467.217736450971,54.0,1.0,0.002094746457545976,-0.002094746457545976,B,hcp,372.0800720867,0.06646604,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786936, -24.815562, -24.835773, -42989.593, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,372.08786638410004,467.217736450971,42.0,1.0,23890114.895934027,23890114.895934027,B,hcp,88892590.88085736,146249507.49939764,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,372.08786638410004,467.217736450971,60.0,1.0,0.005323316530731723,-0.005323316530731723,B,hcp,372.06805896919997,0.0692144999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,372.08786638410004,467.217736450971,10.0,1.0,292225656.0323586,292225656.0323586,B,hcp,1087336580.6456084,3013932271.1145163,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,372.08786638410004,467.217736450971,14.0,1.0,0.06489316137783085,0.06489316137783085,B,hcp,372.3293259637,0.0663990386,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,372.08786638410004,467.217736450971,18.0,1.0,0.016329648125978757,-0.016329648125978757,B,hcp,372.02710574480005,0.0644812161,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,372.08786638410004,467.217736450971,48.0,1.0,0.022782979413942164,-0.022782979413942164,B,hcp,372.0030936821,0.0682650766,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815563, -22777.787, -24.848017, -24.852726, -24.850307, -24.841149, -24.825626, -24.804082, -24.776845, -24.747564]",LDA,372.08786638410004,467.217736450971,66.0,1.0,25071351.466795404,25071351.466795404,B,hcp,93287828.83432417,258742036.88213453,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,372.08786638410004,467.217736450971,36.0,1.0,0.017884563166951,-0.017884563166951,B,hcp,372.0213200946,0.07117458830000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,372.08786638410004,467.217736450971,50.0,1.0,32756853.216525335,32756853.216525335,B,hcp,121884648.31580694,120363508.65904444,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",LDA,372.08786638410004,467.217736450971,30.0,1.0,0.009239884367647114,0.009239884367647114,B,hcp,372.1222468727,0.0717933159,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,372.08786638410004,467.217736450971,6.0,1.0,0.22278700363322734,0.22278700363322734,B,hcp,372.9168297925,0.1081163396,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -12727.713, -24.850329, -1250663.9, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,372.08786638410004,467.217736450971,46.0,1.0,491637210.6892853,491637210.6892853,B,hcp,1829322779.6919308,2222851705.2435703,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,372.08786638410004,467.217736450971,28.0,1.0,242192.19395995047,242192.19395995047,B,hcp,901539.854920805,1482173.7376857738,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,372.08786638410004,467.217736450971,52.0,1.0,0.0058229477114007866,-0.0058229477114007866,B,hcp,372.0661999022,0.0674589309,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,372.08786638410004,467.217736450971,56.0,1.0,0.013437643851691577,-0.013437643851691577,B,hcp,372.0378665418,0.0695263037,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,372.08786638410004,467.217736450971,36.0,1.0,0.017884563166951,-0.017884563166951,B,hcp,372.0213200946,0.07117458830000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,372.08786638410004,467.217736450971,42.0,1.0,0.01601889270919723,-0.01601889270919723,B,hcp,372.02826202800003,0.0707377819,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,372.08786638410004,467.217736450971,22.0,1.0,0.0,0.0,B,hcp,372.08786638410004,0.0615341011,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,372.08786638410004,467.217736450971,16.0,1.0,0.08494559166135592,-0.08494559166135592,B,hcp,371.77179414449995,0.06745626190000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,372.08786638410004,467.217736450971,22.0,1.0,0.0,0.0,B,hcp,372.08786638410004,0.0615341011,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,-24.8528105487795,0.0747302708651292,46.0,1.0,-1.1731552425785524e-05,1.1731552425785524e-05,E0,hcp,-24.8528134644,6.8452e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,-24.8528105487795,0.0747302708651292,4.0,1.0,-0.1824845879361721,0.1824845879361721,E0,hcp,-24.8981630977,1.86734e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",LDA,-24.8528105487795,0.0747302708651292,34.0,1.0,-0.00021537877736695223,-0.00021537877736695223,E0,hcp,-24.8527570211,7.2924000000000015e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,-24.8528105487795,0.0747302708651292,12.0,1.0,-0.0031619442756988907,0.0031619442756988907,E0,hcp,-24.8535963808,9.5803e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,-24.8528105487795,0.0747302708651292,10.0,1.0,-0.02123034402546272,-0.02123034402546272,E0,hcp,-24.8475342116,8.747000000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,-24.8528105487795,0.0747302708651292,44.0,1.0,-0.00010512082507901737,-0.00010512082507901737,E0,hcp,-24.852784423299997,7.0477e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -1326.0662, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",LDA,-24.8528105487795,0.0747302708651292,58.0,1.0,-1432.9810115021778,1432.9810115021778,E0,hcp,-380.9888665374,249.49499048380002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,-24.8528105487795,0.0747302708651292,60.0,1.0,-1.081559567560437e-05,-1.081559567560437e-05,E0,hcp,-24.8528078608,7.1033e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,-24.8528105487795,0.0747302708651292,38.0,1.0,-5.7503273008892885e-05,-5.7503273008892885e-05,E0,hcp,-24.8527962576,6.886900000000002e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,-24.8528105487795,0.0747302708651292,54.0,1.0,-326.91482149575427,326.91482149575427,E0,hcp,-106.100331791,59.520577582,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,-24.8528105487795,0.0747302708651292,8.0,1.0,-0.010138643975720259,-0.010138643975720259,E0,hcp,-24.8502908108,1.04028e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,-24.8528105487795,0.0747302708651292,28.0,1.0,-0.00021743263359746634,0.00021743263359746634,E0,hcp,-24.8528645869,6.1112e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",LDA,-24.8528105487795,0.0747302708651292,26.0,1.0,-0.0007755363487986783,-0.0007755363487986783,E0,hcp,-24.852617806199998,6.7064e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.85018, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",LDA,-24.8528105487795,0.0747302708651292,24.0,1.0,-0.0006327573261532492,-0.0006327573261532492,E0,hcp,-24.8526532908,7.8914e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,-24.8528105487795,0.0747302708651292,20.0,1.0,-0.0015019304145326455,0.0015019304145326455,E0,hcp,-24.8531838207,7.159800000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,-24.8528105487795,0.0747302708651292,16.0,1.0,-0.0022569341942409635,-0.0022569341942409635,E0,hcp,-24.852249637199996,6.9673e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",LDA,-24.8528105487795,0.0747302708651292,64.0,1.0,-8.292132376116146e-05,-8.292132376116146e-05,E0,hcp,-24.852789940500003,7.115599999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,-24.8528105487795,0.0747302708651292,48.0,1.0,-0.0001487195157568912,-0.0001487195157568912,E0,hcp,-24.8527735878,7.0082e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,-24.8528105487795,0.0747302708651292,18.0,1.0,-0.003535948088346788,-0.003535948088346788,E0,hcp,-24.8519317663,6.612999999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,-24.8528105487795,0.0747302708651292,52.0,1.0,-4.6534694655043704e-05,-4.6534694655043704e-05,E0,hcp,-24.8527989836,6.9225e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786925, -24.815558, -24.835773, -24.848021, -24.852733, -24.850318, -24.841162, -24.825641, -24.804098, -24.776861, -24.744241]",LDA,-24.8528105487795,0.0747302708651292,62.0,1.0,-3.4453968437633347e-05,-3.4453968437633347e-05,E0,hcp,-24.852801986,7.067500000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,-24.8528105487795,0.0747302708651292,20.0,1.0,-0.0015019304145326455,0.0015019304145326455,E0,hcp,-24.8531838207,7.159800000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,-24.8528105487795,0.0747302708651292,6.0,1.0,-0.011430336278969465,0.011430336278969465,E0,hcp,-24.855651308600002,1.14653e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,-24.8528105487795,0.0747302708651292,14.0,1.0,-0.0018126864147333236,0.0018126864147333236,E0,hcp,-24.8532610523,6.7725e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,-24.8528105487795,0.0747302708651292,44.0,1.0,-2295.1567642860928,2295.1567642860928,E0,hcp,-595.2637729743,405.9402461958,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",LDA,-24.8528105487795,0.0747302708651292,40.0,1.0,-0.00014666099606273718,-0.00014666099606273718,E0,hcp,-24.8527740994,6.8525e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",LDA,-24.8528105487795,0.0747302708651292,26.0,1.0,-0.0007758775576923143,-0.0007758775576923143,E0,hcp,-24.852617721399998,6.7303000000000014e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,-24.8528105487795,0.0747302708651292,12.0,1.0,-0.0031619442756988907,0.0031619442756988907,E0,hcp,-24.8535963808,9.5803e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,-24.8528105487795,0.0747302708651292,56.0,1.0,-0.00010122468625688726,-0.00010122468625688726,E0,hcp,-24.852785391599998,7.136799999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",LDA,-24.8528105487795,0.0747302708651292,32.0,1.0,-0.0006316725393825081,-0.0006316725393825081,E0,hcp,-24.8526535604,6.853100000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,-24.8528105487795,0.0747302708651292,8.0,1.0,-0.010138643975720259,-0.010138643975720259,E0,hcp,-24.8502908108,1.04028e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -16251.983, -24.804135, -24.776901, -24.74428]",LDA,-24.8528105487795,0.0747302708651292,30.0,1.0,-15421.086347627732,15421.086347627732,E0,hcp,-3857.4261850884004,2717.3705851226,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,-24.8528105487795,0.0747302708651292,50.0,1.0,-0.00011225885075255458,-0.00011225885075255458,E0,hcp,-24.8527826493,6.963200000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,-24.8528105487795,0.0747302708651292,4.0,1.0,-0.1824845879361721,0.1824845879361721,E0,hcp,-24.8981630977,1.86734e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,-24.8528105487795,0.0747302708651292,38.0,1.0,-5.7503273008892885e-05,-5.7503273008892885e-05,E0,hcp,-24.8527962576,6.886900000000002e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,-24.8528105487795,0.0747302708651292,54.0,1.0,-2.1865215158234733e-05,2.1865215158234733e-05,E0,hcp,-24.8528159829,6.8224e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786936, -24.815562, -24.835773, -42989.593, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,-24.8528105487795,0.0747302708651292,42.0,1.0,-40669.852910668866,40669.852910668866,E0,hcp,-10132.454304904599,7193.2631628679,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,-24.8528105487795,0.0747302708651292,60.0,1.0,-1.081559567560437e-05,-1.081559567560437e-05,E0,hcp,-24.8528078608,7.1033e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,-24.8528105487795,0.0747302708651292,10.0,1.0,-292050.0271634014,292050.0271634014,E0,hcp,-72607.492769128,50845.717788202404,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,-24.8528105487795,0.0747302708651292,14.0,1.0,-0.0018123818214126374,0.0018123818214126374,E0,hcp,-24.853260976599998,6.841900000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,-24.8528105487795,0.0747302708651292,18.0,1.0,-0.003535948088346788,-0.003535948088346788,E0,hcp,-24.8519317663,6.612999999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,-24.8528105487795,0.0747302708651292,48.0,1.0,-0.0001487195157568912,-0.0001487195157568912,E0,hcp,-24.8527735878,7.0082e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815563, -22777.787, -24.848017, -24.852726, -24.850307, -24.841149, -24.825626, -24.804082, -24.776845, -24.747564]",LDA,-24.8528105487795,0.0747302708651292,66.0,1.0,-25056.790084834243,25056.790084834243,E0,hcp,-6252.169379938001,4362.800579096,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,-24.8528105487795,0.0747302708651292,36.0,1.0,-8.042381952488357e-05,-8.042381952488357e-05,E0,hcp,-24.8527905612,7.301499999999999e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,-24.8528105487795,0.0747302708651292,50.0,1.0,-82049.17841123458,82049.17841123458,E0,hcp,-20416.379677923,15064.4196822552,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",LDA,-24.8528105487795,0.0747302708651292,30.0,1.0,-6.757231928775789e-05,6.757231928775789e-05,E0,hcp,-24.852827342399998,7.3716e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,-24.8528105487795,0.0747302708651292,6.0,1.0,-0.011430336278969465,0.011430336278969465,E0,hcp,-24.855651308600002,1.14653e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -12727.713, -24.850329, -1250663.9, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,-24.8528105487795,0.0747302708651292,46.0,1.0,-1089394.8296084355,1089394.8296084355,E0,hcp,-270770.0859413325,196096.0543041375,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,-24.8528105487795,0.0747302708651292,28.0,1.0,-412.26998968393235,412.26998968393235,E0,hcp,-127.3134900344,72.9146452488,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,-24.8528105487795,0.0747302708651292,52.0,1.0,-4.6534694655043704e-05,-4.6534694655043704e-05,E0,hcp,-24.8527989836,6.9225e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,-24.8528105487795,0.0747302708651292,56.0,1.0,-0.00010122468625688726,-0.00010122468625688726,E0,hcp,-24.852785391599998,7.136799999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,-24.8528105487795,0.0747302708651292,36.0,1.0,-8.042381952488357e-05,-8.042381952488357e-05,E0,hcp,-24.8527905612,7.301499999999999e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,-24.8528105487795,0.0747302708651292,42.0,1.0,-6.030818715608889e-05,-6.030818715608889e-05,E0,hcp,-24.852795560500002,7.2595000000000005e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,-24.8528105487795,0.0747302708651292,22.0,1.0,-0.00010808226075046182,-0.00010808226075046182,E0,hcp,-24.8527836873,6.3221e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,-24.8528105487795,0.0747302708651292,16.0,1.0,-0.0022575128008088296,-0.0022575128008088296,E0,hcp,-24.852249493400002,6.9305999999999985e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,-24.8528105487795,0.0747302708651292,22.0,1.0,-0.00010808226075046182,-0.00010808226075046182,E0,hcp,-24.8527836873,6.3221e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,4.59143347849998,0.177936633913971,46.0,1.0,0.14407280495202116,-0.14407280495202116,dB,hcp,4.584818471499999,0.0162707377,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,4.59143347849998,0.177936633913971,4.0,1.0,2.351909219759824,-2.351909219759824,dB,hcp,4.4834471312,0.043744089000000014,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",LDA,4.59143347849998,0.177936633913971,34.0,1.0,0.012168443747171276,0.012168443747171276,dB,hcp,4.5919921845000005,0.0173322854,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,4.59143347849998,0.177936633913971,12.0,1.0,0.19604984461021102,-0.19604984461021102,dB,hcp,4.5824319803,0.0227652612,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,4.59143347849998,0.177936633913971,10.0,1.0,1.090803354431745,-1.090803354431745,dB,hcp,4.5413499681000005,0.020818973,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,4.59143347849998,0.177936633913971,44.0,1.0,0.012701142305802195,-0.012701142305802195,dB,hcp,4.590850314,0.0167495839,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -1326.0662, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",LDA,4.59143347849998,0.177936633913971,58.0,1.0,3320.82300445335,3320.82300445335,dB,hcp,157.0648126667,518.909460769,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,4.59143347849998,0.177936633913971,60.0,1.0,0.08813010618423861,-0.08813010618423861,dB,hcp,4.5873870433,0.016883240900000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,4.59143347849998,0.177936633913971,38.0,1.0,0.11486952222387967,-0.11486952222387967,dB,hcp,4.5861593208,0.016367979300000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,4.59143347849998,0.177936633913971,54.0,1.0,544.2948965115912,544.2948965115912,dB,hcp,29.5823715787,124.28180763430001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,4.59143347849998,0.177936633913971,8.0,1.0,0.7813103242802483,-0.7813103242802483,dB,hcp,4.5555601347,0.0247878449,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,4.59143347849998,0.177936633913971,28.0,1.0,0.017626212026592272,-0.017626212026592272,dB,hcp,4.5906241827,0.014527225800000003,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",LDA,4.59143347849998,0.177936633913971,26.0,1.0,0.34842998760394167,-0.34842998760394167,dB,hcp,4.5754355474,0.0159402231,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.85018, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",LDA,4.59143347849998,0.177936633913971,24.0,1.0,0.22341334461263612,-0.22341334461263612,dB,hcp,4.581175603399999,0.018759301000000003,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,4.59143347849998,0.177936633913971,20.0,1.0,0.011877199192232683,0.011877199192232683,dB,hcp,4.591978812200001,0.0170085889,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,4.59143347849998,0.177936633913971,16.0,1.0,0.043636579064062826,0.043636579064062826,dB,hcp,4.593437023,0.0165756107,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",LDA,4.59143347849998,0.177936633913971,64.0,1.0,0.09256408091027236,-0.09256408091027236,dB,hcp,4.5871834603,0.016913091,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,4.59143347849998,0.177936633913971,48.0,1.0,0.17389454594883763,-0.17389454594883763,dB,hcp,4.5834492261,0.0166595633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,4.59143347849998,0.177936633913971,18.0,1.0,0.028574648987601998,-0.028574648987601998,dB,hcp,4.5901214925,0.0157181224,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,4.59143347849998,0.177936633913971,52.0,1.0,0.0777162125224921,-0.0777162125224921,dB,hcp,4.5878651903000005,0.016454223799999997,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786925, -24.815558, -24.835773, -24.848021, -24.852733, -24.850318, -24.841162, -24.825641, -24.804098, -24.776861, -24.744241]",LDA,4.59143347849998,0.177936633913971,62.0,1.0,0.09002005624898783,-0.09002005624898783,dB,hcp,4.5873002675,0.016798694,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,4.59143347849998,0.177936633913971,20.0,1.0,0.011877199192232683,0.011877199192232683,dB,hcp,4.591978812200001,0.0170085889,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,4.59143347849998,0.177936633913971,6.0,1.0,0.562698528052298,0.562698528052298,dB,hcp,4.6172694071,0.0273025822,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,4.59143347849998,0.177936633913971,14.0,1.0,0.024135939356834682,-0.024135939356834682,dB,hcp,4.5903252929,0.016094963900000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,4.59143347849998,0.177936633913971,44.0,1.0,1445.4076517576252,1445.4076517576252,dB,hcp,70.9563643021,192.5580594462,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",LDA,4.59143347849998,0.177936633913971,40.0,1.0,0.014928215843480941,-0.014928215843480941,dB,hcp,4.5907480594,0.0162867544,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",LDA,4.59143347849998,0.177936633913971,26.0,1.0,0.3397588829943511,-0.3397588829943511,dB,hcp,4.5758336754,0.0159976221,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,4.59143347849998,0.177936633913971,12.0,1.0,0.19604984461021102,-0.19604984461021102,dB,hcp,4.5824319803,0.0227652612,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,4.59143347849998,0.177936633913971,56.0,1.0,0.07568195240663658,-0.07568195240663658,dB,hcp,4.587958592,0.0169642649,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",LDA,4.59143347849998,0.177936633913971,32.0,1.0,0.020984006509756303,0.020984006509756303,dB,hcp,4.5923969452,0.0162920633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,4.59143347849998,0.177936633913971,8.0,1.0,0.7813103242802483,-0.7813103242802483,dB,hcp,4.5555601347,0.0247878449,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -16251.983, -24.804135, -24.776901, -24.74428]",LDA,4.59143347849998,0.177936633913971,30.0,1.0,1754.6856649793085,-1754.6856649793085,dB,hcp,-75.9737915858,204.91080002650003,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,4.59143347849998,0.177936633913971,50.0,1.0,0.18634952765940765,-0.18634952765940765,dB,hcp,4.5828773639,0.0165498398,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,4.59143347849998,0.177936633913971,4.0,1.0,2.351909219759824,-2.351909219759824,dB,hcp,4.4834471312,0.043744089000000014,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,4.59143347849998,0.177936633913971,38.0,1.0,0.11486952222387967,-0.11486952222387967,dB,hcp,4.5861593208,0.016367979300000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,4.59143347849998,0.177936633913971,54.0,1.0,0.08267983665137923,-0.08267983665137923,dB,hcp,4.5876372888,0.016214568500000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786936, -24.815562, -24.835773, -42989.593, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,4.59143347849998,0.177936633913971,42.0,1.0,1445.4618523686468,1445.4618523686468,dB,hcp,70.9588528871,192.5851909586,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,4.59143347849998,0.177936633913971,60.0,1.0,0.08813010618423861,-0.08813010618423861,dB,hcp,4.5873870433,0.016883240900000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,4.59143347849998,0.177936633913971,10.0,1.0,3321.09998911532,3321.09998911532,dB,hcp,157.0775302332,518.6690115047,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,4.59143347849998,0.177936633913971,14.0,1.0,0.02740160357046643,-0.02740160357046643,dB,hcp,4.5901753521,0.016258268899999997,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,4.59143347849998,0.177936633913971,18.0,1.0,0.028574648987601998,-0.028574648987601998,dB,hcp,4.5901214925,0.0157181224,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,4.59143347849998,0.177936633913971,48.0,1.0,0.17389454594883763,-0.17389454594883763,dB,hcp,4.5834492261,0.0166595633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815563, -22777.787, -24.848017, -24.852726, -24.850307, -24.841149, -24.825626, -24.804082, -24.776845, -24.747564]",LDA,4.59143347849998,0.177936633913971,66.0,1.0,3321.0450900296246,3321.0450900296246,dB,hcp,157.0750095782,519.0770489735,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,4.59143347849998,0.177936633913971,36.0,1.0,0.11259451594425346,0.11259451594425346,dB,hcp,4.5966031808,0.0173555258,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,4.59143347849998,0.177936633913971,50.0,1.0,128.15103891088654,-128.15103891088654,dB,hcp,-1.2925362251,110.1711018,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",LDA,4.59143347849998,0.177936633913971,30.0,1.0,0.082236561145041,-0.082236561145041,dB,hcp,4.5876576415,0.0175204133,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,4.59143347849998,0.177936633913971,6.0,1.0,0.562698528052298,0.562698528052298,dB,hcp,4.6172694071,0.0273025822,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -12727.713, -24.850329, -1250663.9, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,4.59143347849998,0.177936633913971,46.0,1.0,801.3766060860102,-801.3766060860102,dB,hcp,-32.2032403022,127.339617801,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,4.59143347849998,0.177936633913971,28.0,1.0,1445.1102660617653,1445.1102660617653,dB,hcp,70.9427100357,192.4270372042,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,4.59143347849998,0.177936633913971,52.0,1.0,0.0777162125224921,-0.0777162125224921,dB,hcp,4.5878651903000005,0.016454223799999997,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,4.59143347849998,0.177936633913971,56.0,1.0,0.07568195240663658,-0.07568195240663658,dB,hcp,4.587958592,0.0169642649,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,4.59143347849998,0.177936633913971,36.0,1.0,0.11259451594425346,0.11259451594425346,dB,hcp,4.5966031808,0.0173555258,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,4.59143347849998,0.177936633913971,42.0,1.0,0.14383996263706908,-0.14383996263706908,dB,hcp,4.5848291623,0.0172556136,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,4.59143347849998,0.177936633913971,22.0,1.0,0.1562740815821282,-0.1562740815821282,dB,hcp,4.584258258,0.015027207,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,4.59143347849998,0.177936633913971,16.0,1.0,0.04964209349199283,0.04964209349199283,dB,hcp,4.5937127622,0.0164891853,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,4.59143347849998,0.177936633913971,22.0,1.0,0.1562740815821282,-0.1562740815821282,dB,hcp,4.584258258,0.015027207,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,29.8663756701922,0.0019858730015100802,46.0,1.0,0.00046300464886945837,0.00046300464886945837,v0,hcp,29.8665139529,0.0001482954,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,29.8663756701922,0.0019858730015100802,4.0,1.0,0.21657340015566562,-0.21657340015566562,v0,hcp,29.8016930449,0.0003832241,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",LDA,29.8663756701922,0.0019858730015100802,34.0,1.0,1.5726019949400196e-05,-1.5726019949400196e-05,v0,hcp,29.866370973400002,0.0001579583,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,29.8663756701922,0.0019858730015100802,12.0,1.0,0.0026781404648164643,-0.0026781404648164643,v0,hcp,29.8655758067,0.00020738490000000005,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,29.8663756701922,0.0019858730015100802,10.0,1.0,0.01812921109674698,-0.01812921109674698,v0,hcp,29.8609611319,0.0001891696,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,29.8663756701922,0.0019858730015100802,44.0,1.0,0.00028960893399551034,-0.00028960893399551034,v0,hcp,29.866289174499997,0.00015264370000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -1326.0662, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",LDA,29.8663756701922,0.0019858730015100802,58.0,1.0,2.5824494287801034,-2.5824494287801034,v0,hcp,29.0950916223,0.9610186332,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,29.8663756701922,0.0019858730015100802,60.0,1.0,0.00016986663652766257,0.00016986663652766257,v0,hcp,29.866426403200002,0.0001538687,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,29.8663756701922,0.0019858730015100802,38.0,1.0,0.000737260557604434,0.000737260557604434,v0,hcp,29.8665958632,0.00014918800000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,29.8663756701922,0.0019858730015100802,54.0,1.0,0.39592411010290357,-0.39592411010290357,v0,hcp,29.7481274881,1.023565363,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,29.8663756701922,0.0019858730015100802,8.0,1.0,0.035485881262712723,0.035485881262712723,v0,hcp,29.8769740168,0.0002271555,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,29.8663756701922,0.0019858730015100802,28.0,1.0,0.0003736358687505863,-0.0003736358687505863,v0,hcp,29.8662640787,0.00013238910000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",LDA,29.8663756701922,0.0019858730015100802,26.0,1.0,6.215042024248965e-06,6.215042024248965e-06,v0,hcp,29.866377526399997,0.0001452724,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.85018, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",LDA,29.8663756701922,0.0019858730015100802,24.0,1.0,0.001997853754973866,0.001997853754973866,v0,hcp,29.8669723567,0.0001710117,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,29.8663756701922,0.0019858730015100802,20.0,1.0,0.0026070310666318486,-0.0026070310666318486,v0,hcp,29.8655970445,0.00015493889999999998,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,29.8663756701922,0.0019858730015100802,16.0,1.0,0.002544267226105247,0.002544267226105247,v0,hcp,29.8671355506,0.00015113030000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",LDA,29.8663756701922,0.0019858730015100802,64.0,1.0,0.00032544962560619267,0.00032544962560619267,v0,hcp,29.8664728702,0.0001541458,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,29.8663756701922,0.0019858730015100802,48.0,1.0,0.0008169826513161266,0.0008169826513161266,v0,hcp,29.8666196733,0.0001518461,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,29.8663756701922,0.0019858730015100802,18.0,1.0,0.0014674391598093264,-0.0014674391598093264,v0,hcp,29.865937399299998,0.00014321790000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,29.8663756701922,0.0019858730015100802,52.0,1.0,3.4040595723729745e-05,-3.4040595723729745e-05,v0,hcp,29.8663655035,0.00014995040000000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786925, -24.815558, -24.835773, -24.848021, -24.852733, -24.850318, -24.841162, -24.825641, -24.804098, -24.776861, -24.744241]",LDA,29.8663756701922,0.0019858730015100802,62.0,1.0,0.00043816367025244094,0.00043816367025244094,v0,hcp,29.866506533800006,0.0001531081,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",LDA,29.8663756701922,0.0019858730015100802,20.0,1.0,0.0026070310666318486,-0.0026070310666318486,v0,hcp,29.8655970445,0.00015493889999999998,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,29.8663756701922,0.0019858730015100802,6.0,1.0,0.07258768404710807,0.07258768404710807,v0,hcp,29.8880549806,0.0002516123,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,29.8663756701922,0.0019858730015100802,14.0,1.0,0.008904614798830979,0.008904614798830979,v0,hcp,29.8690351559,0.0001468875,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",LDA,29.8663756701922,0.0019858730015100802,44.0,1.0,1.5443678760544688,-1.5443678760544688,v0,hcp,29.405128958600002,0.9370118763,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",LDA,29.8663756701922,0.0019858730015100802,40.0,1.0,0.0002420876526945438,0.0002420876526945438,v0,hcp,29.866447973000003,0.0001484379,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",LDA,29.8663756701922,0.0019858730015100802,26.0,1.0,8.545704461153728e-06,-8.545704461153728e-06,v0,hcp,29.8663731179,0.0001457944,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",LDA,29.8663756701922,0.0019858730015100802,12.0,1.0,0.0026781404648164643,-0.0026781404648164643,v0,hcp,29.8655758067,0.00020738490000000005,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,29.8663756701922,0.0019858730015100802,56.0,1.0,0.0005590360532767676,0.0005590360532767676,v0,hcp,29.866542634,0.0001546193,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",LDA,29.8663756701922,0.0019858730015100802,32.0,1.0,0.0001129752340013396,0.0001129752340013396,v0,hcp,29.8664094118,0.0001484821,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",LDA,29.8663756701922,0.0019858730015100802,8.0,1.0,0.035485881262712723,0.035485881262712723,v0,hcp,29.8769740168,0.0002271555,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -16251.983, -24.804135, -24.776901, -24.74428]",LDA,29.8663756701922,0.0019858730015100802,30.0,1.0,3.2473114057014834,3.2473114057014834,v0,hcp,30.836229893800002,0.9309240531,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,29.8663756701922,0.0019858730015100802,50.0,1.0,0.00024746661133982154,0.00024746661133982154,v0,hcp,29.8664495795,0.0001508346,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",LDA,29.8663756701922,0.0019858730015100802,4.0,1.0,0.21657340015566562,-0.21657340015566562,v0,hcp,29.8016930449,0.0003832241,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",LDA,29.8663756701922,0.0019858730015100802,38.0,1.0,0.000737260557604434,0.000737260557604434,v0,hcp,29.8665958632,0.00014918800000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",LDA,29.8663756701922,0.0019858730015100802,54.0,1.0,0.0004874371413893411,0.0004874371413893411,v0,hcp,29.86652125,0.00014778709999999998,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786936, -24.815562, -24.835773, -42989.593, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,29.8663756701922,0.0019858730015100802,42.0,1.0,1.5444087404035194,-1.5444087404035194,v0,hcp,29.4051167539,0.9371137636,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",LDA,29.8663756701922,0.0019858730015100802,60.0,1.0,0.00016986663652766257,0.00016986663652766257,v0,hcp,29.866426403200002,0.0001538687,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",LDA,29.8663756701922,0.0019858730015100802,10.0,1.0,2.5825498905848057,-2.5825498905848057,v0,hcp,29.095061618000003,0.9609107864,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",LDA,29.8663756701922,0.0019858730015100802,14.0,1.0,0.008915256531997732,0.008915256531997732,v0,hcp,29.869038334200006,0.0001483864,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",LDA,29.8663756701922,0.0019858730015100802,18.0,1.0,0.0014674391598093264,-0.0014674391598093264,v0,hcp,29.865937399299998,0.00014321790000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",LDA,29.8663756701922,0.0019858730015100802,48.0,1.0,0.0008169826513161266,0.0008169826513161266,v0,hcp,29.8666196733,0.0001518461,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815563, -22777.787, -24.848017, -24.852726, -24.850307, -24.841149, -24.825626, -24.804082, -24.776845, -24.747564]",LDA,29.8663756701922,0.0019858730015100802,66.0,1.0,2.5825286392616933,-2.5825286392616933,v0,hcp,29.095067965,0.9612214242,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,29.8663756701922,0.0019858730015100802,36.0,1.0,0.0009927913432514108,-0.0009927913432514108,v0,hcp,29.8660791594,0.00015815030000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",LDA,29.8663756701922,0.0019858730015100802,50.0,1.0,0.8647500840403763,0.8647500840403763,v0,hcp,30.1246451789,1.0681860455,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",LDA,29.8663756701922,0.0019858730015100802,30.0,1.0,0.0013032683044654281,0.0013032683044654281,v0,hcp,29.8667649092,0.00015970830000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",LDA,29.8663756701922,0.0019858730015100802,6.0,1.0,0.07258768404710807,0.07258768404710807,v0,hcp,29.8880549806,0.0002516123,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -12727.713, -24.850329, -1250663.9, -24.825653, -24.804109, -24.776871, -24.744249]",LDA,29.8663756701922,0.0019858730015100802,46.0,1.0,2.0979486199698223,2.0979486199698223,v0,hcp,30.4929568864,1.0082115842,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",LDA,29.8663756701922,0.0019858730015100802,28.0,1.0,1.5441449899542847,-1.5441449899542847,v0,hcp,29.4051955266,0.9365223633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",LDA,29.8663756701922,0.0019858730015100802,52.0,1.0,3.4040595723729745e-05,-3.4040595723729745e-05,v0,hcp,29.8663655035,0.00014995040000000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",LDA,29.8663756701922,0.0019858730015100802,56.0,1.0,0.0005590360532767676,0.0005590360532767676,v0,hcp,29.866542634,0.0001546193,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",LDA,29.8663756701922,0.0019858730015100802,36.0,1.0,0.0009927913432514108,-0.0009927913432514108,v0,hcp,29.8660791594,0.00015815030000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",LDA,29.8663756701922,0.0019858730015100802,42.0,1.0,0.0001518805237724765,0.0001518805237724765,v0,hcp,29.866421031399998,0.00015726380000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,29.8663756701922,0.0019858730015100802,22.0,1.0,0.002648762998683375,0.002648762998683375,v0,hcp,29.867166759699998,0.0001370098,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",LDA,29.8663756701922,0.0019858730015100802,16.0,1.0,0.0025334168971685857,0.0025334168971685857,v0,hcp,29.86713231,0.0001503326,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",LDA,29.8663756701922,0.0019858730015100802,22.0,1.0,0.002648762998683375,0.002648762998683375,v0,hcp,29.867166759699998,0.0001370098,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,57.831685943074596,0.00913242285459879,62.0,1.0,0.03314989579290052,0.03314989579290052,B,hcp,57.8508570867,0.0072569089,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",LDA,57.831685943074596,0.00913242285459879,18.0,1.0,0.1873519442819866,0.1873519442819866,B,hcp,57.9400347311,0.011702188,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,57.831685943074596,0.00913242285459879,64.0,1.0,0.017142200964287792,0.017142200964287792,B,hcp,57.841599566899994,0.0063332576,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",LDA,57.831685943074596,0.00913242285459879,42.0,1.0,0.11026935681621886,0.11026935681621886,B,hcp,57.8954565712,0.0128013624,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",LDA,57.831685943074596,0.00913242285459879,6.0,1.0,0.014856690124946722,-0.014856690124946722,B,hcp,57.8230940687,0.0739333551,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,57.831685943074596,0.00913242285459879,54.0,1.0,0.026152303670152414,0.026152303670152414,B,hcp,57.8468102612,0.006260587000000001,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",LDA,57.831685943074596,0.00913242285459879,28.0,1.0,0.12172437562116968,0.12172437562116968,B,hcp,57.9020812017,0.0145407205,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",LDA,57.831685943074596,0.00913242285459879,10.0,1.0,0.06062342650691322,0.06062342650691322,B,hcp,57.866745492700005,0.0218879083,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",LDA,57.831685943074596,0.00913242285459879,34.0,1.0,0.08687126219154685,0.08687126219154685,B,hcp,57.8819250586,0.0112877413,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",LDA,57.831685943074596,0.00913242285459879,8.0,1.0,0.38101361732994304,-0.38101361732994304,B,hcp,57.611339344499996,0.045856370800000004,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",LDA,57.831685943074596,0.00913242285459879,46.0,1.0,0.116224513135526,0.116224513135526,B,hcp,57.8989005385,0.0123150683,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,57.831685943074596,0.00913242285459879,62.0,1.0,0.03314989579290052,0.03314989579290052,B,hcp,57.8508570867,0.0072569089,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",LDA,57.831685943074596,0.00913242285459879,16.0,1.0,0.06482909881324912,0.06482909881324912,B,hcp,57.8691777039,0.0168702038,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",LDA,57.831685943074596,0.00913242285459879,4.0,1.0,1.975436336837788,1.975436336837788,B,hcp,58.9741140814,0.0046948219,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",LDA,57.831685943074596,0.00913242285459879,50.0,1.0,0.09868865950334062,0.09868865950334062,B,hcp,57.8887592587,0.0133677945,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",LDA,57.831685943074596,0.00913242285459879,14.0,1.0,0.008986432247040713,-0.008986432247040713,B,hcp,57.8264889378,0.0182964518,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",LDA,57.831685943074596,0.00913242285459879,44.0,1.0,0.13057247768936703,0.13057247768936703,B,hcp,57.9071982083,0.0131157538,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",LDA,57.831685943074596,0.00913242285459879,8.0,1.0,5.552725704271368,-5.552725704271368,B,hcp,54.6204510525,0.1621395319,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.39155295, -12.3970278, -12.40039594, -12.4017523, -12.40146157, -12.39940008, -12.39571581, -12.39045151, -12.3836629, -12.37541562, -12.3657802]",LDA,57.831685943074596,0.00913242285459879,6.0,1.0,1.4531487743618676,-1.4531487743618676,B,hcp,56.9913055076,0.2189270074,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",LDA,57.831685943074596,0.00913242285459879,12.0,1.0,0.2679961566016966,0.2679961566016966,B,hcp,57.9866726387,0.0143012971,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",LDA,57.831685943074596,0.00913242285459879,56.0,1.0,0.09826125003746379,0.09826125003746379,B,hcp,57.8885120806,0.0114442613,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",LDA,57.831685943074596,0.00913242285459879,20.0,1.0,0.1677846627554896,0.1677846627554896,B,hcp,57.9287186423,0.012333322800000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",LDA,57.831685943074596,0.00913242285459879,24.0,1.0,0.04957219482347059,0.04957219482347059,B,hcp,57.860354379099995,0.0069645197,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",LDA,57.831685943074596,0.00913242285459879,32.0,1.0,0.08442496933853677,0.08442496933853677,B,hcp,57.880510326199996,0.0096305077,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",LDA,57.831685943074596,0.00913242285459879,58.0,1.0,0.10810630073441506,0.10810630073441506,B,hcp,57.8942056394,0.012268615200000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",LDA,57.831685943074596,0.00913242285459879,26.0,1.0,0.15368408403809844,0.15368408403809844,B,hcp,57.9205640399,0.0166354105,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",LDA,57.831685943074596,0.00913242285459879,60.0,1.0,0.11870304575414146,0.11870304575414146,B,hcp,57.900333915699996,0.011964766200000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",LDA,57.831685943074596,0.00913242285459879,30.0,1.0,0.1122927389482086,0.1122927389482086,B,hcp,57.8966267272,0.0109534039,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",LDA,57.831685943074596,0.00913242285459879,36.0,1.0,0.11026826105014005,0.11026826105014005,B,hcp,57.8954559375,0.0119810993,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",LDA,57.831685943074596,0.00913242285459879,38.0,1.0,0.11362895107378428,0.11362895107378428,B,hcp,57.8973994812,0.0131963873,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",LDA,57.831685943074596,0.00913242285459879,48.0,1.0,0.09818924089692208,0.09818924089692208,B,hcp,57.88847043649999,0.0124713729,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",LDA,57.831685943074596,0.00913242285459879,52.0,1.0,0.11284742569953374,0.11284742569953374,B,hcp,57.896947511899995,0.0130277955,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",LDA,57.831685943074596,0.00913242285459879,22.0,1.0,0.10006085518994912,0.10006085518994912,B,hcp,57.8895528226,0.0129091056,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",LDA,57.831685943074596,0.00913242285459879,40.0,1.0,0.08745320355211357,0.08745320355211357,B,hcp,57.88226160510001,0.0111697344,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,57.831685943074596,0.00913242285459879,64.0,1.0,0.017142200964287792,0.017142200964287792,B,hcp,57.841599566899994,0.0063332576,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,57.831685943074596,0.00913242285459879,54.0,1.0,0.026152303670152414,0.026152303670152414,B,hcp,57.8468102612,0.006260587000000001,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,-12.4037735392817,2.68817576828153e-06,62.0,1.0,-1.2723410351720385e-06,1.2723410351720385e-06,E0,hcp,-12.4037736971,1.4491999999999996e-06,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",LDA,-12.4037735392817,2.68817576828153e-06,18.0,1.0,-0.0005315867634142057,0.0005315867634142057,E0,hcp,-12.403839476099998,1.2773e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,-12.4037735392817,2.68817576828153e-06,64.0,1.0,-1.5903077331566166e-05,-1.5903077331566166e-05,E0,hcp,-12.403771566700001,1.2643000000000001e-06,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",LDA,-12.4037735392817,2.68817576828153e-06,42.0,1.0,-0.00013263690800745996,-0.00013263690800745996,E0,hcp,-12.4037570873,1.3985e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",LDA,-12.4037735392817,2.68817576828153e-06,6.0,1.0,-0.04419136483699589,0.04419136483699589,E0,hcp,-12.409254936099998,7.904000000000001e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,-12.4037735392817,2.68817576828153e-06,54.0,1.0,-1.042893677739851e-05,-1.042893677739851e-05,E0,hcp,-12.403772245699999,1.2498e-06,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",LDA,-12.4037735392817,2.68817576828153e-06,28.0,1.0,-7.14767830279638e-05,7.14767830279638e-05,E0,hcp,-12.4037824051,1.5894e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",LDA,-12.4037735392817,2.68817576828153e-06,10.0,1.0,-0.002379714372927632,-0.002379714372927632,E0,hcp,-12.4034783649,2.3931e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",LDA,-12.4037735392817,2.68817576828153e-06,34.0,1.0,-0.00013132682282475462,-0.00013132682282475462,E0,hcp,-12.4037572498,1.2329e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",LDA,-12.4037735392817,2.68817576828153e-06,8.0,1.0,-0.011667634668728923,-0.011667634668728923,E0,hcp,-12.4023263123,5.0196e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",LDA,-12.4037735392817,2.68817576828153e-06,46.0,1.0,-0.00011897654896835728,-0.00011897654896835728,E0,hcp,-12.4037587817,1.3456e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,-12.4037735392817,2.68817576828153e-06,62.0,1.0,-1.2723410351720385e-06,1.2723410351720385e-06,E0,hcp,-12.4037736971,1.4491999999999996e-06,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",LDA,-12.4037735392817,2.68817576828153e-06,16.0,1.0,-9.110519200509169e-05,-9.110519200509169e-05,E0,hcp,-12.4037622388,1.8404e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",LDA,-12.4037735392817,2.68817576828153e-06,4.0,1.0,-0.010958188468981514,-0.010958188468981514,E0,hcp,-12.4024143104,7.008e-07,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",LDA,-12.4037735392817,2.68817576828153e-06,50.0,1.0,-0.00012144595877743154,-0.00012144595877743154,E0,hcp,-12.4037584754,1.4605e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",LDA,-12.4037735392817,2.68817576828153e-06,14.0,1.0,-0.0006413837002836253,-0.0006413837002836253,E0,hcp,-12.403693983499998,2.0021000000000003e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",LDA,-12.4037735392817,2.68817576828153e-06,44.0,1.0,-8.623248132088056e-05,-8.623248132088056e-05,E0,hcp,-12.403762843199999,1.433e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",LDA,-12.4037735392817,2.68817576828153e-06,8.0,1.0,-0.035190867262081205,-0.035190867262081205,E0,hcp,-12.399408543800002,2.00134e-05,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.39155295, -12.3970278, -12.40039594, -12.4017523, -12.40146157, -12.39940008, -12.39571581, -12.39045151, -12.3836629, -12.37541562, -12.3657802]",LDA,-12.4037735392817,2.68817576828153e-06,6.0,1.0,-0.015086994097178275,-0.015086994097178275,E0,hcp,-12.4019021827,2.52629e-05,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",LDA,-12.4037735392817,2.68817576828153e-06,12.0,1.0,-0.005444127274352574,0.005444127274352574,E0,hcp,-12.4044488165,1.5691e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",LDA,-12.4037735392817,2.68817576828153e-06,56.0,1.0,-0.00014594817974569843,-0.00014594817974569843,E0,hcp,-12.403755436199999,1.2507e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",LDA,-12.4037735392817,2.68817576828153e-06,20.0,1.0,-0.0005458251723681403,0.0005458251723681403,E0,hcp,-12.4038412422,1.3481e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",LDA,-12.4037735392817,2.68817576828153e-06,24.0,1.0,-0.00031035782440103245,-0.00031035782440103245,E0,hcp,-12.4037350432,7.609999999999998e-07,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",LDA,-12.4037735392817,2.68817576828153e-06,32.0,1.0,-0.0001666007657565644,-0.0001666007657565644,E0,hcp,-12.4037528745,1.0523e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",LDA,-12.4037735392817,2.68817576828153e-06,58.0,1.0,-0.00012513757729282278,-0.00012513757729282278,E0,hcp,-12.4037580175,1.3403000000000001e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",LDA,-12.4037735392817,2.68817576828153e-06,26.0,1.0,-2.579201406851345e-06,2.579201406851345e-06,E0,hcp,-12.403773859200001,1.8173e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",LDA,-12.4037735392817,2.68817576828153e-06,60.0,1.0,-0.00011275505519727518,-0.00011275505519727518,E0,hcp,-12.403759553399999,1.3074000000000002e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",LDA,-12.4037735392817,2.68817576828153e-06,30.0,1.0,-0.00012930082647226942,-0.00012930082647226942,E0,hcp,-12.4037575011,1.1972e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",LDA,-12.4037735392817,2.68817576828153e-06,36.0,1.0,-3.3278434869826823e-05,-3.3278434869826823e-05,E0,hcp,-12.4037694115,1.3091e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",LDA,-12.4037735392817,2.68817576828153e-06,38.0,1.0,-0.00013707910455079168,-0.00013707910455079168,E0,hcp,-12.403756536300001,1.4422e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",LDA,-12.4037735392817,2.68817576828153e-06,48.0,1.0,-0.00014065221074899674,-0.00014065221074899674,E0,hcp,-12.4037560931,1.3626e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",LDA,-12.4037735392817,2.68817576828153e-06,52.0,1.0,-0.00011442954561556472,-0.00011442954561556472,E0,hcp,-12.4037593457,1.4235e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",LDA,-12.4037735392817,2.68817576828153e-06,22.0,1.0,-0.00030658236042661565,-0.00030658236042661565,E0,hcp,-12.4037355115,1.4116e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",LDA,-12.4037735392817,2.68817576828153e-06,40.0,1.0,-0.00015935780862838235,-0.00015935780862838235,E0,hcp,-12.4037537729,1.2206e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,-12.4037735392817,2.68817576828153e-06,64.0,1.0,-1.5903077331566166e-05,-1.5903077331566166e-05,E0,hcp,-12.403771566700001,1.2643000000000001e-06,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,-12.4037735392817,2.68817576828153e-06,54.0,1.0,-1.042893677739851e-05,-1.042893677739851e-05,E0,hcp,-12.403772245699999,1.2498e-06,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,3.49588977787286,0.00974040268082915,62.0,1.0,0.04016078927964983,0.04016078927964983,dB,hcp,3.4972937548000003,0.0137981528,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",LDA,3.49588977787286,0.00974040268082915,18.0,1.0,2.4704413815841137,2.4704413815841137,dB,hcp,3.5822536856,0.0108818115,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,3.49588977787286,0.00974040268082915,64.0,1.0,0.20926895274117635,0.20926895274117635,dB,hcp,3.5032055898000003,0.0120388048,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",LDA,3.49588977787286,0.00974040268082915,42.0,1.0,2.5948924505948474,2.5948924505948474,dB,hcp,3.5866043577999998,0.0119226512,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",LDA,3.49588977787286,0.00974040268082915,6.0,1.0,0.5601034663928699,0.5601034663928699,dB,hcp,3.5154703777,0.067157298,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,3.49588977787286,0.00974040268082915,54.0,1.0,0.07525092437154265,-0.07525092437154265,dB,hcp,3.4932590885000003,0.011900702800000001,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",LDA,3.49588977787286,0.00974040268082915,28.0,1.0,2.213305788897615,2.213305788897615,dB,hcp,3.5732645087,0.0135457354,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",LDA,3.49588977787286,0.00974040268082915,10.0,1.0,1.071775239147795,1.071775239147795,dB,hcp,3.5333578589,0.0203968481,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",LDA,3.49588977787286,0.00974040268082915,34.0,1.0,2.57418456087298,2.57418456087298,dB,hcp,3.5858804328,0.010514333600000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",LDA,3.49588977787286,0.00974040268082915,8.0,1.0,2.0322717374221506,2.0322717374221506,dB,hcp,3.5669357578,0.0429996452,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",LDA,3.49588977787286,0.00974040268082915,46.0,1.0,2.664680835098344,2.664680835098344,dB,hcp,3.5890440828,0.0114731846,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,3.49588977787286,0.00974040268082915,62.0,1.0,0.04016078927964983,0.04016078927964983,dB,hcp,3.4972937548000003,0.0137981528,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",LDA,3.49588977787286,0.00974040268082915,16.0,1.0,2.6828060289763243,2.6828060289763243,dB,hcp,3.5896777196,0.0156966558,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",LDA,3.49588977787286,0.00974040268082915,4.0,1.0,2.8027328277711967,2.8027328277711967,dB,hcp,3.5938702283,0.0062416474000000005,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",LDA,3.49588977787286,0.00974040268082915,50.0,1.0,2.484261877386299,2.484261877386299,dB,hcp,3.5827368349,0.012452688100000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",LDA,3.49588977787286,0.00974040268082915,14.0,1.0,1.3644727282038123,1.3644727282038123,dB,hcp,3.5435902405,0.0170784762,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",LDA,3.49588977787286,0.00974040268082915,44.0,1.0,2.6563176108957145,2.6563176108957145,dB,hcp,3.5887517137,0.0122175602,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",LDA,3.49588977787286,0.00974040268082915,8.0,1.0,50.71420127128899,-50.71420127128899,dB,hcp,1.7229771997,0.1802213466,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.39155295, -12.3970278, -12.40039594, -12.4017523, -12.40146157, -12.39940008, -12.39571581, -12.39045151, -12.3836629, -12.37541562, -12.3657802]",LDA,3.49588977787286,0.00974040268082915,6.0,1.0,2.7929446044076927,2.7929446044076927,dB,hcp,3.5935280428,0.2210058289,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",LDA,3.49588977787286,0.00974040268082915,12.0,1.0,1.920204648671318,1.920204648671318,dB,hcp,3.5630180159,0.0133591079,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",LDA,3.49588977787286,0.00974040268082915,56.0,1.0,2.444400657824404,2.444400657824404,dB,hcp,3.5813433306,0.0106623269,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",LDA,3.49588977787286,0.00974040268082915,20.0,1.0,2.481926328922601,2.481926328922601,dB,hcp,3.5826551867000003,0.0114851571,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",LDA,3.49588977787286,0.00974040268082915,24.0,1.0,2.491217837540964,2.491217837540964,dB,hcp,3.5829800076,0.0064914432000000005,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",LDA,3.49588977787286,0.00974040268082915,32.0,1.0,2.4643626258594598,2.4643626258594598,dB,hcp,3.582041179,0.0089737388,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",LDA,3.49588977787286,0.00974040268082915,58.0,1.0,2.6722393285517865,2.6722393285517865,dB,hcp,3.5893083194,0.0114292501,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",LDA,3.49588977787286,0.00974040268082915,26.0,1.0,2.6687104672936104,2.6687104672936104,dB,hcp,3.5891849543000003,0.0154873519,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",LDA,3.49588977787286,0.00974040268082915,60.0,1.0,2.603551690995285,2.603551690995285,dB,hcp,3.5869070753,0.0111455852,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",LDA,3.49588977787286,0.00974040268082915,30.0,1.0,2.5536533214574044,2.5536533214574044,dB,hcp,3.5851626833,0.0102044407,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",LDA,3.49588977787286,0.00974040268082915,36.0,1.0,2.422085700844416,2.422085700844416,dB,hcp,3.5805632243,0.0111598923,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",LDA,3.49588977787286,0.00974040268082915,38.0,1.0,2.5856184997382767,2.5856184997382767,dB,hcp,3.5862801507,0.012295848600000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",LDA,3.49588977787286,0.00974040268082915,48.0,1.0,2.4029123961183245,2.4029123961183245,dB,hcp,3.5798929467000002,0.011618813300000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",LDA,3.49588977787286,0.00974040268082915,52.0,1.0,2.5114258774074254,2.5114258774074254,dB,hcp,3.5836864584,0.0121346985,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",LDA,3.49588977787286,0.00974040268082915,22.0,1.0,2.3748060008246403,2.3748060008246403,dB,hcp,3.5789103781,0.0120362573,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",LDA,3.49588977787286,0.00974040268082915,40.0,1.0,2.356965730117378,2.356965730117378,dB,hcp,3.5782867018999998,0.0104072336,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,3.49588977787286,0.00974040268082915,64.0,1.0,0.20926895274117635,0.20926895274117635,dB,hcp,3.5032055898000003,0.0120388048,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,3.49588977787286,0.00974040268082915,54.0,1.0,0.07525092437154265,-0.07525092437154265,dB,hcp,3.4932590885000003,0.011900702800000001,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,48.3809312884562,0.000392455173357189,62.0,1.0,0.0004818314521613956,0.0004818314521613956,v0,hcp,48.381164403,0.0002149881,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",LDA,48.3809312884562,0.000392455173357189,18.0,1.0,0.0022668613740726025,0.0022668613740726025,v0,hcp,48.3820280171,0.0001287564,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,48.3809312884562,0.000392455173357189,64.0,1.0,8.94742102966133e-05,-8.94742102966133e-05,v0,hcp,48.380888,0.0001875623,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",LDA,48.3809312884562,0.000392455173357189,42.0,1.0,0.0042150479320891745,0.0042150479320891745,v0,hcp,48.3829705679,0.00014114139999999998,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",LDA,48.3809312884562,0.000392455173357189,6.0,1.0,0.052413236539450056,-0.052413236539450056,v0,hcp,48.355573276499996,0.0007849416,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,48.3809312884562,0.000392455173357189,54.0,1.0,0.0007916332604510594,0.0007916332604510594,v0,hcp,48.381314288,0.0001854016,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",LDA,48.3809312884562,0.000392455173357189,28.0,1.0,0.005538216550281406,0.005538216550281406,v0,hcp,48.3836107292,0.0001604174,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",LDA,48.3809312884562,0.000392455173357189,10.0,1.0,0.006314173296058145,0.006314173296058145,v0,hcp,48.3839861443,0.0002416524,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",LDA,48.3809312884562,0.000392455173357189,34.0,1.0,0.0037766452508008032,0.0037766452508008032,v0,hcp,48.3827584646,0.00012446379999999998,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",LDA,48.3809312884562,0.000392455173357189,8.0,1.0,0.00905201869241278,0.00905201869241278,v0,hcp,48.3853107394,0.0005097705000000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",LDA,48.3809312884562,0.000392455173357189,46.0,1.0,0.0048077130428221355,0.0048077130428221355,v0,hcp,48.3832573048,0.0001358454,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38027163, -12.38897719, -12.39559318, -12.40020625, -12.40290611, -12.40377619, -12.40289817, -12.40034837, -12.39620097, -12.39052699, -12.38339289]",LDA,48.3809312884562,0.000392455173357189,62.0,1.0,0.0004818314521613956,0.0004818314521613956,v0,hcp,48.381164403,0.0002149881,"[45.9664676163, 46.4503251701, 46.934182724, 47.4180402778, 47.9018978317, 48.3857553855, 48.8696129394, 49.3534704933, 49.8373280471, 50.321185601, 50.8050431548]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",LDA,48.3809312884562,0.000392455173357189,16.0,1.0,0.00043953441601146095,0.00043953441601146095,v0,hcp,48.3811439393,0.0001856602,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",LDA,48.3809312884562,0.000392455173357189,4.0,1.0,0.7567961465246924,0.7567961465246924,v0,hcp,48.7470763121,8.888510000000001e-05,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",LDA,48.3809312884562,0.000392455173357189,50.0,1.0,0.004357528240253534,0.004357528240253534,v0,hcp,48.383039501199995,0.00014743000000000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",LDA,48.3809312884562,0.000392455173357189,14.0,1.0,0.008406773981963564,0.008406773981963564,v0,hcp,48.38499856399999,0.0002024409,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",LDA,48.3809312884562,0.000392455173357189,44.0,1.0,0.004653985328159418,0.004653985328159418,v0,hcp,48.383182929899995,0.0001446428,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",LDA,48.3809312884562,0.000392455173357189,8.0,1.0,0.3322891882450259,0.3322891882450259,v0,hcp,48.5416958923,0.0023181254,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.39155295, -12.3970278, -12.40039594, -12.4017523, -12.40146157, -12.39940008, -12.39571581, -12.39045151, -12.3836629, -12.37541562, -12.3657802]",LDA,48.3809312884562,0.000392455173357189,6.0,1.0,0.14611585135127275,0.14611585135127275,v0,hcp,48.451623498100005,0.0027105085,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",LDA,48.3809312884562,0.000392455173357189,12.0,1.0,0.01525905671344,0.01525905671344,v0,hcp,48.3883137622,0.0001585915,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",LDA,48.3809312884562,0.000392455173357189,56.0,1.0,0.0047405144603933,0.0047405144603933,v0,hcp,48.383224793500005,0.0001262698,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",LDA,48.3809312884562,0.000392455173357189,20.0,1.0,0.005262692089603324,0.005262692089603324,v0,hcp,48.3834774279,0.000136028,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",LDA,48.3809312884562,0.000392455173357189,24.0,1.0,0.004528374682851062,0.004528374682851062,v0,hcp,48.3831221583,7.68713e-05,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",LDA,48.3809312884562,0.000392455173357189,32.0,1.0,0.0047214871292458,0.0047214871292458,v0,hcp,48.3832155879,0.00010625600000000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",LDA,48.3809312884562,0.000392455173357189,58.0,1.0,0.004259995599314974,0.004259995599314974,v0,hcp,48.382992314,0.0001353002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",LDA,48.3809312884562,0.000392455173357189,26.0,1.0,0.003934138911975732,0.003934138911975732,v0,hcp,48.3828346615,0.0001833518,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",LDA,48.3809312884562,0.000392455173357189,60.0,1.0,0.004527490656886408,0.004527490656886408,v0,hcp,48.3831217306,0.00013197760000000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",LDA,48.3809312884562,0.000392455173357189,30.0,1.0,0.00487424193993766,0.00487424193993766,v0,hcp,48.3832894921,0.000120843,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",LDA,48.3809312884562,0.000392455173357189,36.0,1.0,0.004642229456889133,0.004642229456889133,v0,hcp,48.38317724229999,0.0001321324,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",LDA,48.3809312884562,0.000392455173357189,38.0,1.0,0.005143579045547121,0.005143579045547121,v0,hcp,48.3834197999,0.00014559920000000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",LDA,48.3809312884562,0.000392455173357189,48.0,1.0,0.0046815728500317205,0.0046815728500317205,v0,hcp,48.383196276999996,0.000137556,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",LDA,48.3809312884562,0.000392455173357189,52.0,1.0,0.00455401557000957,0.00455401557000957,v0,hcp,48.383134563599995,0.0001436701,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",LDA,48.3809312884562,0.000392455173357189,22.0,1.0,0.006716471050186319,0.006716471050186319,v0,hcp,48.3841807797,0.0001425718,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",LDA,48.3809312884562,0.000392455173357189,40.0,1.0,0.004797891611395787,0.004797891611395787,v0,hcp,48.38325255310001,0.00012322640000000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",LDA,48.3809312884562,0.000392455173357189,64.0,1.0,8.94742102966133e-05,-8.94742102966133e-05,v0,hcp,48.380888,0.0001875623,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38024913, -12.38895958, -12.39557871, -12.40019611, -12.40290013, -12.40377421, -12.4029008, -12.40035634, -12.39621299, -12.39054299, -12.38341223]",LDA,48.3809312884562,0.000392455173357189,54.0,1.0,0.0007916332604510594,0.0007916332604510594,v0,hcp,48.381314288,0.0001854016,"[45.9654350632, 46.4492817481, 46.933128433, 47.4169751178, 47.9008218027, 48.3846684876, 48.8685151725, 49.3523618573, 49.8362085422, 50.3200552271, 50.803901912]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,303.84560546588403,0.00548514008782858,10.0,1.0,0.188429300610785,0.188429300610785,B,hcp,304.4181396152,0.10771023560000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,303.84560546588403,0.00548514008782858,62.0,1.0,0.00684344841918076,-0.00684344841918076,B,hcp,303.82481194860003,0.1137837171,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,303.84560546588403,0.00548514008782858,6.0,1.0,0.3608905863893296,-0.3608905863893296,B,hcp,302.7490552786,0.1694091445,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,303.84560546588403,0.00548514008782858,28.0,1.0,0.016530327041275578,-0.016530327041275578,B,hcp,303.7953787936,0.1187751497,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,303.84560546588403,0.00548514008782858,66.0,1.0,0.009757837297177309,0.009757837297177309,B,hcp,303.8752542257,0.1177867207,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,303.84560546588403,0.00548514008782858,18.0,1.0,0.034840512641837316,-0.034840512641837316,B,hcp,303.7397440993,0.131371853,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,303.84560546588403,0.00548514008782858,18.0,1.0,0.034840512641837316,-0.034840512641837316,B,hcp,303.7397440993,0.131371853,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,303.84560546588403,0.00548514008782858,26.0,1.0,0.014068385504687878,0.014068385504687878,B,hcp,303.888351637,0.1378323425,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,303.84560546588403,0.00548514008782858,44.0,1.0,0.010225261697739277,0.010225261697739277,B,hcp,303.8766744742,0.1256226302,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,303.84560546588403,0.00548514008782858,46.0,1.0,0.019776790986935945,0.019776790986935945,B,hcp,303.9056963762,0.10787695580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,303.84560546588403,0.00548514008782858,56.0,1.0,0.00048213753617894455,0.00048213753617894455,B,hcp,303.8470704196,0.10608753580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,303.84560546588403,0.00548514008782858,48.0,1.0,0.0018245372703218896,0.0018245372703218896,B,hcp,303.8511492422,0.1097254565,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,303.84560546588403,0.00548514008782858,22.0,1.0,0.02718991586445354,-0.02718991586445354,B,hcp,303.7629901014,0.141036871,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,303.84560546588403,0.00548514008782858,60.0,1.0,0.0021780256475468305,0.0021780256475468305,B,hcp,303.8522233011,0.11348426660000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,303.84560546588403,0.00548514008782858,36.0,1.0,0.029875179493477212,0.029875179493477212,B,hcp,303.9363798859,0.1078422002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,303.84560546588403,0.00548514008782858,46.0,1.0,0.019776790986935945,0.019776790986935945,B,hcp,303.9056963762,0.10787695580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,303.84560546588403,0.00548514008782858,54.0,1.0,0.004838254446176823,0.004838254446176823,B,hcp,303.8603062894,0.1098126526,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,303.84560546588403,0.00548514008782858,14.0,1.0,0.10287309277905228,0.10287309277905228,B,hcp,304.1581808375,0.1143730011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,303.84560546588403,0.00548514008782858,26.0,1.0,0.014068385504687878,0.014068385504687878,B,hcp,303.888351637,0.1378323425,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,303.84560546588403,0.00548514008782858,48.0,1.0,0.0018245372703218896,0.0018245372703218896,B,hcp,303.8511492422,0.1097254565,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,303.84560546588403,0.00548514008782858,24.0,1.0,0.01028852715114627,0.01028852715114627,B,hcp,303.87686670349996,0.1088348767,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,303.84560546588403,0.00548514008782858,4.0,1.0,0.2818736377321542,0.2818736377321542,B,hcp,304.7020661271,0.18548528390000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,303.84560546588403,0.00548514008782858,58.0,1.0,0.011273582986833288,-0.011273582986833288,B,hcp,303.8113511794,0.1157796754,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,303.84560546588403,0.00548514008782858,50.0,1.0,0.0018694231813380369,-0.0018694231813380369,B,hcp,303.8399253057,0.10848864650000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,303.84560546588403,0.00548514008782858,14.0,1.0,0.10287309277905228,0.10287309277905228,B,hcp,304.1581808375,0.1143730011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,303.84560546588403,0.00548514008782858,66.0,1.0,0.009757837297177309,0.009757837297177309,B,hcp,303.8752542257,0.1177867207,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,303.84560546588403,0.00548514008782858,64.0,1.0,9.272811943516804e-05,9.272811943516804e-05,B,hcp,303.84588721619997,0.1075014348,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,303.84560546588403,0.00548514008782858,58.0,1.0,0.011273582986833288,-0.011273582986833288,B,hcp,303.8113511794,0.1157796754,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,303.84560546588403,0.00548514008782858,62.0,1.0,0.00684344841918076,-0.00684344841918076,B,hcp,303.82481194860003,0.1137837171,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,303.84560546588403,0.00548514008782858,20.0,1.0,0.03431611671857463,0.03431611671857463,B,hcp,303.94987347849997,0.103408189,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,303.84560546588403,0.00548514008782858,50.0,1.0,0.0018694231813380369,-0.0018694231813380369,B,hcp,303.8399253057,0.10848864650000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,303.84560546588403,0.00548514008782858,54.0,1.0,0.004838254446176823,0.004838254446176823,B,hcp,303.8603062894,0.1098126526,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,303.84560546588403,0.00548514008782858,20.0,1.0,0.03431611671857463,0.03431611671857463,B,hcp,303.94987347849997,0.103408189,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,303.84560546588403,0.00548514008782858,16.0,1.0,0.031649886121773524,0.031649886121773524,B,hcp,303.941772254,0.0995690073,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,303.84560546588403,0.00548514008782858,32.0,1.0,0.014130110340126227,0.014130110340126227,B,hcp,303.8885391852,0.1085219927,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,303.84560546588403,0.00548514008782858,16.0,1.0,0.031649886121773524,0.031649886121773524,B,hcp,303.941772254,0.0995690073,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,303.84560546588403,0.00548514008782858,4.0,1.0,0.2830873761353607,0.2830873761353607,B,hcp,304.7057540179,0.1836629593,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,303.84560546588403,0.00548514008782858,42.0,1.0,0.0163551769023849,-0.0163551769023849,B,hcp,303.79591097959997,0.1125869491,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,303.84560546588403,0.00548514008782858,34.0,1.0,0.013505522194767857,-0.013505522194767857,B,hcp,303.8045695302,0.1145992299,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,303.84560546588403,0.00548514008782858,56.0,1.0,0.00048213753617894455,0.00048213753617894455,B,hcp,303.8470704196,0.10608753580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,303.84560546588403,0.00548514008782858,38.0,1.0,0.0010986788763729964,-0.0010986788763729964,B,hcp,303.8422671784,0.1121079719,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,303.84560546588403,0.00548514008782858,22.0,1.0,0.02718991586445354,-0.02718991586445354,B,hcp,303.7629901014,0.141036871,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,303.84560546588403,0.00548514008782858,8.0,1.0,0.0005345995751594693,0.0005345995751594693,B,hcp,303.8472298232,0.1583091002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,303.84560546588403,0.00548514008782858,34.0,1.0,0.013505522194767857,-0.013505522194767857,B,hcp,303.8045695302,0.1145992299,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,303.84560546588403,0.00548514008782858,40.0,1.0,0.002938208305594108,0.002938208305594108,B,hcp,303.8545330827,0.1058271065,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,303.84560546588403,0.00548514008782858,30.0,1.0,0.011653816372196863,0.011653816372196863,B,hcp,303.8810150748,0.1106164543,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,303.84560546588403,0.00548514008782858,12.0,1.0,0.23589191088844177,-0.23589191088844177,B,hcp,303.128858261,0.3609575316,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,303.84560546588403,0.00548514008782858,44.0,1.0,0.010225261697739277,0.010225261697739277,B,hcp,303.8766744742,0.1256226302,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",LDA,303.84560546588403,0.00548514008782858,70.0,1.0,0.00025383464564725195,0.00025383464564725195,B,hcp,303.8463767313,0.1105193994,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,303.84560546588403,0.00548514008782858,6.0,1.0,0.3608905863893296,-0.3608905863893296,B,hcp,302.7490552786,0.1694091445,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,303.84560546588403,0.00548514008782858,42.0,1.0,0.0163551769023849,-0.0163551769023849,B,hcp,303.79591097959997,0.1125869491,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,303.84560546588403,0.00548514008782858,30.0,1.0,0.011653816372196863,0.011653816372196863,B,hcp,303.8810150748,0.1106164543,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,303.84560546588403,0.00548514008782858,52.0,1.0,0.0007090965533855841,0.0007090965533855841,B,hcp,303.8477600246,0.1053852224,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,303.84560546588403,0.00548514008782858,52.0,1.0,0.0007090965533855841,0.0007090965533855841,B,hcp,303.8477600246,0.1053852224,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,303.84560546588403,0.00548514008782858,38.0,1.0,0.0010986788763729964,-0.0010986788763729964,B,hcp,303.8422671784,0.1121079719,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,303.84560546588403,0.00548514008782858,60.0,1.0,0.0021780256475468305,0.0021780256475468305,B,hcp,303.8522233011,0.11348426660000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",LDA,303.84560546588403,0.00548514008782858,68.0,1.0,0.006116508367964304,-0.006116508367964304,B,hcp,303.827020724,0.1085597804,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,303.84560546588403,0.00548514008782858,12.0,1.0,0.23559022457686699,-0.23559022457686699,B,hcp,303.1297749216,0.3626257275,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,303.84560546588403,0.00548514008782858,40.0,1.0,0.002938208305594108,0.002938208305594108,B,hcp,303.8545330827,0.1058271065,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,303.84560546588403,0.00548514008782858,10.0,1.0,0.188429300610785,0.188429300610785,B,hcp,304.4181396152,0.10771023560000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,303.84560546588403,0.00548514008782858,32.0,1.0,0.014130110340126227,0.014130110340126227,B,hcp,303.8885391852,0.1085219927,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,303.84560546588403,0.00548514008782858,28.0,1.0,0.016530327041275578,-0.016530327041275578,B,hcp,303.7953787936,0.1187751497,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,303.84560546588403,0.00548514008782858,8.0,1.0,0.0005345995751594693,0.0005345995751594693,B,hcp,303.8472298232,0.1583091002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,303.84560546588403,0.00548514008782858,24.0,1.0,0.01028852715114627,0.01028852715114627,B,hcp,303.87686670349996,0.1088348767,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,303.84560546588403,0.00548514008782858,64.0,1.0,9.272811943516804e-05,9.272811943516804e-05,B,hcp,303.84588721619997,0.1075014348,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,303.84560546588403,0.00548514008782858,36.0,1.0,0.029875179493477212,0.029875179493477212,B,hcp,303.9363798859,0.1078422002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,-20.7500653741705,2.8826670838367e-06,10.0,1.0,-0.017413924555615787,0.017413924555615787,E0,hcp,-20.7536787749,6.6494e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,-20.7500653741705,2.8826670838367e-06,62.0,1.0,-5.1291262506572036e-05,-5.1291262506572036e-05,E0,hcp,-20.7500547312,7.002200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,-20.7500653741705,2.8826670838367e-06,6.0,1.0,-0.181050108966231,-0.181050108966231,E0,hcp,-20.7124973582,1.1059e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,-20.7500653741705,2.8826670838367e-06,28.0,1.0,-0.0016926764526586915,-0.0016926764526586915,E0,hcp,-20.7497141427,7.3086000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,-20.7500653741705,2.8826670838367e-06,66.0,1.0,-2.133858577720708e-05,-2.133858577720708e-05,E0,hcp,-20.7500609464,7.2501e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,-20.7500653741705,2.8826670838367e-06,18.0,1.0,-0.0014901033993205488,0.0014901033993205488,E0,hcp,-20.750374571600002,8.059400000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,-20.7500653741705,2.8826670838367e-06,18.0,1.0,-0.0014901033993205488,0.0014901033993205488,E0,hcp,-20.750374571600002,8.059400000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,-20.7500653741705,2.8826670838367e-06,26.0,1.0,-0.0006547407299705212,0.0006547407299705212,E0,hcp,-20.7502012333,8.501300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,-20.7500653741705,2.8826670838367e-06,44.0,1.0,-8.99084902402273e-05,-8.99084902402273e-05,E0,hcp,-20.7500467181,7.7332e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,-20.7500653741705,2.8826670838367e-06,46.0,1.0,-0.00013246719469590257,0.00013246719469590257,E0,hcp,-20.7500928612,6.6386e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,-20.7500653741705,2.8826670838367e-06,56.0,1.0,-4.311104730589811e-05,-4.311104730589811e-05,E0,hcp,-20.7500564286,6.5279000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,-20.7500653741705,2.8826670838367e-06,48.0,1.0,-3.903732519746206e-05,-3.903732519746206e-05,E0,hcp,-20.7500572739,6.7513e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,-20.7500653741705,2.8826670838367e-06,22.0,1.0,-0.003404478288442217,-0.003404478288442217,E0,hcp,-20.7493589427,8.6927e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,-20.7500653741705,2.8826670838367e-06,60.0,1.0,-5.551449976525413e-06,5.551449976525413e-06,E0,hcp,-20.7500665261,6.9839e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,-20.7500653741705,2.8826670838367e-06,36.0,1.0,-0.0003224198492580687,0.0003224198492580687,E0,hcp,-20.7501322765,6.6399000000000014e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,-20.7500653741705,2.8826670838367e-06,46.0,1.0,-0.00013246719469590257,0.00013246719469590257,E0,hcp,-20.7500928612,6.6386e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,-20.7500653741705,2.8826670838367e-06,54.0,1.0,-7.773327318203225e-06,-7.773327318203225e-06,E0,hcp,-20.7500637612,6.7566000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,-20.7500653741705,2.8826670838367e-06,14.0,1.0,-0.005929099534445563,0.005929099534445563,E0,hcp,-20.751295666199997,6.998099999999998e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,-20.7500653741705,2.8826670838367e-06,26.0,1.0,-0.0006547407299705212,0.0006547407299705212,E0,hcp,-20.7502012333,8.501300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,-20.7500653741705,2.8826670838367e-06,48.0,1.0,-3.903732519746206e-05,-3.903732519746206e-05,E0,hcp,-20.7500572739,6.7513e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,-20.7500653741705,2.8826670838367e-06,24.0,1.0,-0.0009938413483550814,0.0009938413483550814,E0,hcp,-20.7502715969,6.6876e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,-20.7500653741705,2.8826670838367e-06,4.0,1.0,-0.38077602843532926,0.38077602843532926,E0,hcp,-20.829076649,1.1132000000000001e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,-20.7500653741705,2.8826670838367e-06,58.0,1.0,-8.28609677809071e-06,-8.28609677809071e-06,E0,hcp,-20.7500636548,7.1246e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,-20.7500653741705,2.8826670838367e-06,50.0,1.0,-0.00010215375286003298,-0.00010215375286003298,E0,hcp,-20.7500441772,6.6749e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,-20.7500653741705,2.8826670838367e-06,14.0,1.0,-0.005929099534445563,0.005929099534445563,E0,hcp,-20.751295666199997,6.998099999999998e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,-20.7500653741705,2.8826670838367e-06,66.0,1.0,-2.133858577720708e-05,-2.133858577720708e-05,E0,hcp,-20.7500609464,7.2501e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,-20.7500653741705,2.8826670838367e-06,64.0,1.0,-3.31291944210599e-05,3.31291944210599e-05,E0,hcp,-20.7500722485,6.6147e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,-20.7500653741705,2.8826670838367e-06,58.0,1.0,-8.28609677809071e-06,-8.28609677809071e-06,E0,hcp,-20.7500636548,7.1246e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,-20.7500653741705,2.8826670838367e-06,62.0,1.0,-5.1291262506572036e-05,-5.1291262506572036e-05,E0,hcp,-20.7500547312,7.002200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,-20.7500653741705,2.8826670838367e-06,20.0,1.0,-0.0010700902647542221,0.0010700902647542221,E0,hcp,-20.7502874186,6.380300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,-20.7500653741705,2.8826670838367e-06,50.0,1.0,-0.00010215375286003298,-0.00010215375286003298,E0,hcp,-20.7500441772,6.6749e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,-20.7500653741705,2.8826670838367e-06,54.0,1.0,-7.773327318203225e-06,-7.773327318203225e-06,E0,hcp,-20.7500637612,6.7566000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,-20.7500653741705,2.8826670838367e-06,20.0,1.0,-0.0010700902647542221,0.0010700902647542221,E0,hcp,-20.7502874186,6.380300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,-20.7500653741705,2.8826670838367e-06,16.0,1.0,-0.0070626209801056975,-0.0070626209801056975,E0,hcp,-20.7485998757,6.1795000000000016e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,-20.7500653741705,2.8826670838367e-06,32.0,1.0,-0.000118797073916984,-0.000118797073916984,E0,hcp,-20.7500407237,6.6838e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,-20.7500653741705,2.8826670838367e-06,16.0,1.0,-0.0070626209801056975,-0.0070626209801056975,E0,hcp,-20.7485998757,6.1795000000000016e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,-20.7500653741705,2.8826670838367e-06,4.0,1.0,-0.3807774457802503,0.3807774457802503,E0,hcp,-20.8290769431,1.10243e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,-20.7500653741705,2.8826670838367e-06,42.0,1.0,-1.8910925959985377e-05,1.8910925959985377e-05,E0,hcp,-20.7500692982,6.929200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,-20.7500653741705,2.8826670838367e-06,34.0,1.0,-0.00043370933476683107,-0.00043370933476683107,E0,hcp,-20.749975379200002,7.0487e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,-20.7500653741705,2.8826670838367e-06,56.0,1.0,-4.311104730589811e-05,-4.311104730589811e-05,E0,hcp,-20.7500564286,6.5279000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,-20.7500653741705,2.8826670838367e-06,38.0,1.0,-7.488154962970568e-05,-7.488154962970568e-05,E0,hcp,-20.7500498362,6.899e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,-20.7500653741705,2.8826670838367e-06,22.0,1.0,-0.003404478288442217,-0.003404478288442217,E0,hcp,-20.7493589427,8.6927e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,-20.7500653741705,2.8826670838367e-06,8.0,1.0,-0.004614833993215165,-0.004614833993215165,E0,hcp,-20.7491077931,9.6305e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,-20.7500653741705,2.8826670838367e-06,34.0,1.0,-0.00043370933476683107,-0.00043370933476683107,E0,hcp,-20.749975379200002,7.0487e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,-20.7500653741705,2.8826670838367e-06,40.0,1.0,-7.724170842500507e-06,-7.724170842500507e-06,E0,hcp,-20.7500637714,6.511600000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,-20.7500653741705,2.8826670838367e-06,30.0,1.0,-0.0010444416708723708,0.0010444416708723708,E0,hcp,-20.7502820965,6.8013e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,-20.7500653741705,2.8826670838367e-06,12.0,1.0,-0.015374612623976372,-0.015374612623976372,E0,hcp,-20.746875132,2.22695e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,-20.7500653741705,2.8826670838367e-06,44.0,1.0,-8.99084902402273e-05,-8.99084902402273e-05,E0,hcp,-20.7500467181,7.7332e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",LDA,-20.7500653741705,2.8826670838367e-06,70.0,1.0,-3.083137033341016e-05,3.083137033341016e-05,E0,hcp,-20.7500717717,6.8006000000000014e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,-20.7500653741705,2.8826670838367e-06,6.0,1.0,-0.181050108966231,-0.181050108966231,E0,hcp,-20.7124973582,1.1059e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,-20.7500653741705,2.8826670838367e-06,42.0,1.0,-1.8910925959985377e-05,1.8910925959985377e-05,E0,hcp,-20.7500692982,6.929200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,-20.7500653741705,2.8826670838367e-06,30.0,1.0,-0.0010444416708723708,0.0010444416708723708,E0,hcp,-20.7502820965,6.8013e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,-20.7500653741705,2.8826670838367e-06,52.0,1.0,-7.597002329573907e-05,7.597002329573907e-05,E0,hcp,-20.750081138,6.4866e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,-20.7500653741705,2.8826670838367e-06,52.0,1.0,-7.597002329573907e-05,7.597002329573907e-05,E0,hcp,-20.750081138,6.4866e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,-20.7500653741705,2.8826670838367e-06,38.0,1.0,-7.488154962970568e-05,-7.488154962970568e-05,E0,hcp,-20.7500498362,6.899e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,-20.7500653741705,2.8826670838367e-06,60.0,1.0,-5.551449976525413e-06,5.551449976525413e-06,E0,hcp,-20.7500665261,6.9839e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",LDA,-20.7500653741705,2.8826670838367e-06,68.0,1.0,-4.347731120826367e-05,-4.347731120826367e-05,E0,hcp,-20.7500563526,6.6802999999999985e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,-20.7500653741705,2.8826670838367e-06,12.0,1.0,-0.015373874313039732,-0.015373874313039732,E0,hcp,-20.7468752852,2.23713e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,-20.7500653741705,2.8826670838367e-06,40.0,1.0,-7.724170842500507e-06,-7.724170842500507e-06,E0,hcp,-20.7500637714,6.511600000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,-20.7500653741705,2.8826670838367e-06,10.0,1.0,-0.017413924555615787,0.017413924555615787,E0,hcp,-20.7536787749,6.6494e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,-20.7500653741705,2.8826670838367e-06,32.0,1.0,-0.000118797073916984,-0.000118797073916984,E0,hcp,-20.7500407237,6.6838e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,-20.7500653741705,2.8826670838367e-06,28.0,1.0,-0.0016926764526586915,-0.0016926764526586915,E0,hcp,-20.7497141427,7.3086000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,-20.7500653741705,2.8826670838367e-06,8.0,1.0,-0.004614833993215165,-0.004614833993215165,E0,hcp,-20.7491077931,9.6305e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,-20.7500653741705,2.8826670838367e-06,24.0,1.0,-0.0009938413483550814,0.0009938413483550814,E0,hcp,-20.7502715969,6.6876e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,-20.7500653741705,2.8826670838367e-06,64.0,1.0,-3.31291944210599e-05,3.31291944210599e-05,E0,hcp,-20.7500722485,6.6147e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,-20.7500653741705,2.8826670838367e-06,36.0,1.0,-0.0003224198492580687,0.0003224198492580687,E0,hcp,-20.7501322765,6.6399000000000014e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,4.63670921983698,0.00048064780797298,10.0,1.0,0.581589131094321,0.581589131094321,dB,hcp,4.6636758167000005,0.0184340525,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,4.63670921983698,0.00048064780797298,62.0,1.0,0.08329412421328647,-0.08329412421328647,dB,hcp,4.6328471135000004,0.0194313301,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,4.63670921983698,0.00048064780797298,6.0,1.0,1.1368544335595239,-1.1368544335595239,dB,hcp,4.5839965855,0.0310161269,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,4.63670921983698,0.00048064780797298,28.0,1.0,0.02586834770418708,0.02586834770418708,dB,hcp,4.6379086599,0.0202858124,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,4.63670921983698,0.00048064780797298,66.0,1.0,0.012008420424505818,-0.012008420424505818,dB,hcp,4.6361524243000005,0.0201173496,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,4.63670921983698,0.00048064780797298,18.0,1.0,0.12306275564074753,-0.12306275564074753,dB,hcp,4.6310031577,0.0223639917,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,4.63670921983698,0.00048064780797298,18.0,1.0,0.12306275564074753,-0.12306275564074753,dB,hcp,4.6310031577,0.0223639917,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,4.63670921983698,0.00048064780797298,26.0,1.0,0.5553073724533768,-0.5553073724533768,dB,hcp,4.6109612317,0.0235846437,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,4.63670921983698,0.00048064780797298,44.0,1.0,0.09575350806959765,-0.09575350806959765,dB,hcp,4.6322694081,0.021456696600000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,4.63670921983698,0.00048064780797298,46.0,1.0,0.07753289871271475,0.07753289871271475,dB,hcp,4.6403041949,0.0184206764,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,4.63670921983698,0.00048064780797298,56.0,1.0,0.02362651206017442,0.02362651206017442,dB,hcp,4.6378047125,0.018114598200000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,4.63670921983698,0.00048064780797298,48.0,1.0,0.10024787500440963,0.10024787500440963,dB,hcp,4.6413574223000005,0.0187360986,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,4.63670921983698,0.00048064780797298,22.0,1.0,0.508186871761793,-0.508186871761793,dB,hcp,4.6131460723,0.0241231888,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,4.63670921983698,0.00048064780797298,60.0,1.0,0.013464231493077376,0.013464231493077376,dB,hcp,4.6373335171,0.019379585300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,4.63670921983698,0.00048064780797298,36.0,1.0,0.07804582067682511,0.07804582067682511,dB,hcp,4.6403279776,0.0184228913,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,4.63670921983698,0.00048064780797298,46.0,1.0,0.07753289871271475,0.07753289871271475,dB,hcp,4.6403041949,0.0184206764,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,4.63670921983698,0.00048064780797298,54.0,1.0,0.06610888278059422,0.06610888278059422,dB,hcp,4.639774496499999,0.0187497289,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,4.63670921983698,0.00048064780797298,14.0,1.0,1.26657178784837,1.26657178784837,dB,hcp,4.6954364707,0.0194103157,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,4.63670921983698,0.00048064780797298,26.0,1.0,0.5553073724533768,-0.5553073724533768,dB,hcp,4.6109612317,0.0235846437,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,4.63670921983698,0.00048064780797298,48.0,1.0,0.10024787500440963,0.10024787500440963,dB,hcp,4.6413574223000005,0.0187360986,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,4.63670921983698,0.00048064780797298,24.0,1.0,0.11869384087046285,0.11869384087046285,dB,hcp,4.6422127081,0.0185570429,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,4.63670921983698,0.00048064780797298,4.0,1.0,2.6088970523640556,2.6088970523640556,dB,hcp,4.75767619,0.0307949343,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,4.63670921983698,0.00048064780797298,58.0,1.0,0.05565649719717964,-0.05565649719717964,dB,hcp,4.6341285899,0.0197723981,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,4.63670921983698,0.00048064780797298,50.0,1.0,0.012252208108910853,0.012252208108910853,dB,hcp,4.6372773191,0.0185241456,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,4.63670921983698,0.00048064780797298,14.0,1.0,1.26657178784837,1.26657178784837,dB,hcp,4.6954364707,0.0194103157,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,4.63670921983698,0.00048064780797298,66.0,1.0,0.012008420424505818,-0.012008420424505818,dB,hcp,4.6361524243000005,0.0201173496,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,4.63670921983698,0.00048064780797298,64.0,1.0,0.0240859974190708,0.0240859974190708,dB,hcp,4.6378260175,0.0183570088,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,4.63670921983698,0.00048064780797298,58.0,1.0,0.05565649719717964,-0.05565649719717964,dB,hcp,4.6341285899,0.0197723981,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,4.63670921983698,0.00048064780797298,62.0,1.0,0.08329412421328647,-0.08329412421328647,dB,hcp,4.6328471135000004,0.0194313301,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,4.63670921983698,0.00048064780797298,20.0,1.0,0.00048630905909200845,-0.00048630905909200845,dB,hcp,4.6366866711000005,0.017704891299999997,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,4.63670921983698,0.00048064780797298,50.0,1.0,0.012252208108910853,0.012252208108910853,dB,hcp,4.6372773191,0.0185241456,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,4.63670921983698,0.00048064780797298,54.0,1.0,0.06610888278059422,0.06610888278059422,dB,hcp,4.639774496499999,0.0187497289,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,4.63670921983698,0.00048064780797298,20.0,1.0,0.00048630905909200845,-0.00048630905909200845,dB,hcp,4.6366866711000005,0.017704891299999997,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,4.63670921983698,0.00048064780797298,16.0,1.0,0.14091096998336058,-0.14091096998336058,dB,hcp,4.6301755879,0.017158543300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,4.63670921983698,0.00048064780797298,32.0,1.0,0.08924363523416061,0.08924363523416061,dB,hcp,4.6408471877,0.0185480869,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,4.63670921983698,0.00048064780797298,16.0,1.0,0.14091096998336058,-0.14091096998336058,dB,hcp,4.6301755879,0.017158543300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,4.63670921983698,0.00048064780797298,4.0,1.0,2.619940537640421,2.619940537640421,dB,hcp,4.7581882443,0.0304912827,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,4.63670921983698,0.00048064780797298,42.0,1.0,0.11080171072622913,-0.11080171072622913,dB,hcp,4.6315716667,0.0192324718,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,4.63670921983698,0.00048064780797298,34.0,1.0,0.15270322552661467,-0.15270322552661467,dB,hcp,4.629628815299999,0.0195601187,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,4.63670921983698,0.00048064780797298,56.0,1.0,0.02362651206017442,0.02362651206017442,dB,hcp,4.6378047125,0.018114598200000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,4.63670921983698,0.00048064780797298,38.0,1.0,0.031165711897527235,-0.031165711897527235,dB,hcp,4.6352641564,0.019144674,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,4.63670921983698,0.00048064780797298,22.0,1.0,0.508186871761793,-0.508186871761793,dB,hcp,4.6131460723,0.0241231888,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,4.63670921983698,0.00048064780797298,8.0,1.0,0.4394762723053948,-0.4394762723053948,dB,hcp,4.616331983,0.0266793238,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,4.63670921983698,0.00048064780797298,34.0,1.0,0.15270322552661467,-0.15270322552661467,dB,hcp,4.629628815299999,0.0195601187,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,4.63670921983698,0.00048064780797298,40.0,1.0,0.018430132719206082,0.018430132719206082,dB,hcp,4.6375637715,0.0180699011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,4.63670921983698,0.00048064780797298,30.0,1.0,0.03074413760779763,0.03074413760779763,dB,hcp,4.6381347361000005,0.0188702574,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,4.63670921983698,0.00048064780797298,12.0,1.0,2.625381568380093,-2.625381568380093,dB,hcp,4.5149779106,0.0618293316,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,4.63670921983698,0.00048064780797298,44.0,1.0,0.09575350806959765,-0.09575350806959765,dB,hcp,4.6322694081,0.021456696600000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",LDA,4.63670921983698,0.00048064780797298,70.0,1.0,0.014819628112119575,0.014819628112119575,dB,hcp,4.637396362900001,0.0188718002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,4.63670921983698,0.00048064780797298,6.0,1.0,1.1368544335595239,-1.1368544335595239,dB,hcp,4.5839965855,0.0310161269,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,4.63670921983698,0.00048064780797298,42.0,1.0,0.11080171072622913,-0.11080171072622913,dB,hcp,4.6315716667,0.0192324718,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,4.63670921983698,0.00048064780797298,30.0,1.0,0.03074413760779763,0.03074413760779763,dB,hcp,4.6381347361000005,0.0188702574,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,4.63670921983698,0.00048064780797298,52.0,1.0,0.06275116680884082,-0.06275116680884082,dB,hcp,4.6337996307,0.0180005809,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,4.63670921983698,0.00048064780797298,52.0,1.0,0.06275116680884082,-0.06275116680884082,dB,hcp,4.6337996307,0.0180005809,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,4.63670921983698,0.00048064780797298,38.0,1.0,0.031165711897527235,-0.031165711897527235,dB,hcp,4.6352641564,0.019144674,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,4.63670921983698,0.00048064780797298,60.0,1.0,0.013464231493077376,0.013464231493077376,dB,hcp,4.6373335171,0.019379585300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",LDA,4.63670921983698,0.00048064780797298,68.0,1.0,0.0048117819428021855,-0.0048117819428021855,dB,hcp,4.6364861115,0.0185396489,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,4.63670921983698,0.00048064780797298,12.0,1.0,2.6268377261160785,-2.6268377261160785,dB,hcp,4.5149103928,0.0621128756,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,4.63670921983698,0.00048064780797298,40.0,1.0,0.018430132719206082,0.018430132719206082,dB,hcp,4.6375637715,0.0180699011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,4.63670921983698,0.00048064780797298,10.0,1.0,0.581589131094321,0.581589131094321,dB,hcp,4.6636758167000005,0.0184340525,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,4.63670921983698,0.00048064780797298,32.0,1.0,0.08924363523416061,0.08924363523416061,dB,hcp,4.6408471877,0.0185480869,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,4.63670921983698,0.00048064780797298,28.0,1.0,0.02586834770418708,0.02586834770418708,dB,hcp,4.6379086599,0.0202858124,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,4.63670921983698,0.00048064780797298,8.0,1.0,0.4394762723053948,-0.4394762723053948,dB,hcp,4.616331983,0.0266793238,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,4.63670921983698,0.00048064780797298,24.0,1.0,0.11869384087046285,0.11869384087046285,dB,hcp,4.6422127081,0.0185570429,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,4.63670921983698,0.00048064780797298,64.0,1.0,0.0240859974190708,0.0240859974190708,dB,hcp,4.6378260175,0.0183570088,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,4.63670921983698,0.00048064780797298,36.0,1.0,0.07804582067682511,0.07804582067682511,dB,hcp,4.6403279776,0.0184228913,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,28.6106459643092,2.8009917988476398e-05,10.0,1.0,0.008418491472734931,0.008418491472734931,v0,hcp,28.6130545491,0.0001250058,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,28.6106459643092,2.8009917988476398e-05,62.0,1.0,7.420381499428421e-05,7.420381499428421e-05,v0,hcp,28.6106671945,0.0001315402,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,28.6106459643092,2.8009917988476398e-05,6.0,1.0,0.15431105066930106,0.15431105066930106,v0,hcp,28.6547953527,0.0002178921,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,28.6106459643092,2.8009917988476398e-05,28.0,1.0,0.00020200385993947588,-0.00020200385993947588,v0,hcp,28.610588169699998,0.0001373225,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,28.6106459643092,2.8009917988476398e-05,66.0,1.0,0.0005788914762921004,0.0005788914762921004,v0,hcp,28.6108115889,0.0001362024,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,28.6106459643092,2.8009917988476398e-05,18.0,1.0,0.008089266883682625,-0.008089266883682625,v0,hcp,28.6083315728,0.0001511379,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",LDA,28.6106459643092,2.8009917988476398e-05,18.0,1.0,0.008089266883682625,-0.008089266883682625,v0,hcp,28.6083315728,0.0001511379,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,28.6106459643092,2.8009917988476398e-05,26.0,1.0,0.006193976511437655,0.006193976511437655,v0,hcp,28.612418101,0.0001599019,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,28.6106459643092,2.8009917988476398e-05,44.0,1.0,0.0008633376929239126,0.0008633376929239126,v0,hcp,28.6108929708,0.0001452841,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,28.6106459643092,2.8009917988476398e-05,46.0,1.0,6.9277327130579e-05,6.9277327130579e-05,v0,hcp,28.610665785,0.00012469,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,28.6106459643092,2.8009917988476398e-05,56.0,1.0,0.0002362862036873761,-0.0002362862036873761,v0,hcp,28.6105783613,0.0001226183,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,28.6106459643092,2.8009917988476398e-05,48.0,1.0,0.00029072817615656213,-0.00029072817615656213,v0,hcp,28.6105627851,0.0001268165,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,28.6106459643092,2.8009917988476398e-05,22.0,1.0,0.004173028432449048,0.004173028432449048,v0,hcp,28.611839894699997,0.0001634703,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,28.6106459643092,2.8009917988476398e-05,60.0,1.0,1.4285209799201339e-05,1.4285209799201339e-05,v0,hcp,28.6106500514,0.000131199,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,28.6106459643092,2.8009917988476398e-05,36.0,1.0,0.001495126294370272,0.001495126294370272,v0,hcp,28.6110737296,0.00012475030000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",LDA,28.6106459643092,2.8009917988476398e-05,46.0,1.0,6.9277327130579e-05,6.9277327130579e-05,v0,hcp,28.610665785,0.00012469,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,28.6106459643092,2.8009917988476398e-05,54.0,1.0,0.00040293535959047864,-0.00040293535959047864,v0,hcp,28.610530681900002,0.0001269203,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,28.6106459643092,2.8009917988476398e-05,14.0,1.0,0.015042146600136044,-0.015042146600136044,v0,hcp,28.606342309000002,0.0001309264,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",LDA,28.6106459643092,2.8009917988476398e-05,26.0,1.0,0.006193976511437655,0.006193976511437655,v0,hcp,28.612418101,0.0001599019,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",LDA,28.6106459643092,2.8009917988476398e-05,48.0,1.0,0.00029072817615656213,-0.00029072817615656213,v0,hcp,28.6105627851,0.0001268165,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,28.6106459643092,2.8009917988476398e-05,24.0,1.0,0.003720826892636452,-0.003720826892636452,v0,hcp,28.609581411700002,0.0001255072,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,28.6106459643092,2.8009917988476398e-05,4.0,1.0,0.0663284737886543,-0.0663284737886543,v0,hcp,28.591668959499998,0.0002054764,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,28.6106459643092,2.8009917988476398e-05,58.0,1.0,1.4657798386846915e-05,1.4657798386846915e-05,v0,hcp,28.610650158000002,0.0001338463,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,28.6106459643092,2.8009917988476398e-05,50.0,1.0,0.00039912314227454895,-0.00039912314227454895,v0,hcp,28.6105317726,0.000125387,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",LDA,28.6106459643092,2.8009917988476398e-05,14.0,1.0,0.015042146600136044,-0.015042146600136044,v0,hcp,28.606342309000002,0.0001309264,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",LDA,28.6106459643092,2.8009917988476398e-05,66.0,1.0,0.0005788914762921004,0.0005788914762921004,v0,hcp,28.6108115889,0.0001362024,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,28.6106459643092,2.8009917988476398e-05,64.0,1.0,0.00022320470945256732,-0.00022320470945256732,v0,hcp,28.610582104000002,0.00012426480000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",LDA,28.6106459643092,2.8009917988476398e-05,58.0,1.0,1.4657798386846915e-05,1.4657798386846915e-05,v0,hcp,28.610650158000002,0.0001338463,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",LDA,28.6106459643092,2.8009917988476398e-05,62.0,1.0,7.420381499428421e-05,7.420381499428421e-05,v0,hcp,28.6106671945,0.0001315402,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,28.6106459643092,2.8009917988476398e-05,20.0,1.0,0.0069755579559119445,0.0069755579559119445,v0,hcp,28.6126417165,0.000120036,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",LDA,28.6106459643092,2.8009917988476398e-05,50.0,1.0,0.00039912314227454895,-0.00039912314227454895,v0,hcp,28.6105317726,0.000125387,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",LDA,28.6106459643092,2.8009917988476398e-05,54.0,1.0,0.00040293535959047864,-0.00040293535959047864,v0,hcp,28.610530681900002,0.0001269203,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",LDA,28.6106459643092,2.8009917988476398e-05,20.0,1.0,0.0069755579559119445,0.0069755579559119445,v0,hcp,28.6126417165,0.000120036,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,28.6106459643092,2.8009917988476398e-05,16.0,1.0,0.022383942322695763,0.022383942322695763,v0,hcp,28.6170501548,0.00011673360000000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,28.6106459643092,2.8009917988476398e-05,32.0,1.0,0.0021291948163738887,0.0021291948163738887,v0,hcp,28.611255140700003,0.0001256202,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",LDA,28.6106459643092,2.8009917988476398e-05,16.0,1.0,0.022383942322695763,0.022383942322695763,v0,hcp,28.6170501548,0.00011673360000000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",LDA,28.6106459643092,2.8009917988476398e-05,4.0,1.0,0.06633279805312871,-0.06633279805312871,v0,hcp,28.5916677223,0.0002034734,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,28.6106459643092,2.8009917988476398e-05,42.0,1.0,0.0005255043559116293,0.0005255043559116293,v0,hcp,28.610796314499996,0.0001302005,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,28.6106459643092,2.8009917988476398e-05,34.0,1.0,0.001249001192237657,-0.001249001192237657,v0,hcp,28.610288617,0.0001323807,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",LDA,28.6106459643092,2.8009917988476398e-05,56.0,1.0,0.0002362862036873761,-0.0002362862036873761,v0,hcp,28.6105783613,0.0001226183,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,28.6106459643092,2.8009917988476398e-05,38.0,1.0,5.23549172552054e-07,5.23549172552054e-07,v0,hcp,28.6106461141,0.0001296031,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",LDA,28.6106459643092,2.8009917988476398e-05,22.0,1.0,0.004173028432449048,0.004173028432449048,v0,hcp,28.611839894699997,0.0001634703,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,28.6106459643092,2.8009917988476398e-05,8.0,1.0,0.0304516812380621,-0.0304516812380621,v0,hcp,28.601933541599998,0.0001794725,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",LDA,28.6106459643092,2.8009917988476398e-05,34.0,1.0,0.001249001192237657,-0.001249001192237657,v0,hcp,28.610288617,0.0001323807,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,28.6106459643092,2.8009917988476398e-05,40.0,1.0,0.00020361305114609227,-0.00020361305114609227,v0,hcp,28.6105877093,0.00012231280000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,28.6106459643092,2.8009917988476398e-05,30.0,1.0,0.0022843168588819233,-0.0022843168588819233,v0,hcp,28.6099924065,0.0001276811,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,28.6106459643092,2.8009917988476398e-05,12.0,1.0,0.00709879634781263,0.00709879634781263,v0,hcp,28.6126769758,0.0004194382,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",LDA,28.6106459643092,2.8009917988476398e-05,44.0,1.0,0.0008633376929239126,0.0008633376929239126,v0,hcp,28.6108929708,0.0001452841,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",LDA,28.6106459643092,2.8009917988476398e-05,70.0,1.0,0.0002394378277344126,-0.0002394378277344126,v0,hcp,28.6105774596,0.0001277452,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",LDA,28.6106459643092,2.8009917988476398e-05,6.0,1.0,0.15431105066930106,0.15431105066930106,v0,hcp,28.6547953527,0.0002178921,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",LDA,28.6106459643092,2.8009917988476398e-05,42.0,1.0,0.0005255043559116293,0.0005255043559116293,v0,hcp,28.610796314499996,0.0001302005,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",LDA,28.6106459643092,2.8009917988476398e-05,30.0,1.0,0.0022843168588819233,-0.0022843168588819233,v0,hcp,28.6099924065,0.0001276811,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,28.6106459643092,2.8009917988476398e-05,52.0,1.0,0.000646080801626213,0.000646080801626213,v0,hcp,28.610830812199996,0.0001218695,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",LDA,28.6106459643092,2.8009917988476398e-05,52.0,1.0,0.000646080801626213,0.000646080801626213,v0,hcp,28.610830812199996,0.0001218695,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",LDA,28.6106459643092,2.8009917988476398e-05,38.0,1.0,5.23549172552054e-07,5.23549172552054e-07,v0,hcp,28.6106461141,0.0001296031,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",LDA,28.6106459643092,2.8009917988476398e-05,60.0,1.0,1.4285209799201339e-05,1.4285209799201339e-05,v0,hcp,28.6106500514,0.000131199,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",LDA,28.6106459643092,2.8009917988476398e-05,68.0,1.0,4.4134652583549205e-05,-4.4134652583549205e-05,v0,hcp,28.6106333371,0.0001255001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",LDA,28.6106459643092,2.8009917988476398e-05,12.0,1.0,0.007107640258588643,0.007107640258588643,v0,hcp,28.6126795061,0.0004213426,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",LDA,28.6106459643092,2.8009917988476398e-05,40.0,1.0,0.00020361305114609227,-0.00020361305114609227,v0,hcp,28.6105877093,0.00012231280000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",LDA,28.6106459643092,2.8009917988476398e-05,10.0,1.0,0.008418491472734931,0.008418491472734931,v0,hcp,28.6130545491,0.0001250058,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",LDA,28.6106459643092,2.8009917988476398e-05,32.0,1.0,0.0021291948163738887,0.0021291948163738887,v0,hcp,28.611255140700003,0.0001256202,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",LDA,28.6106459643092,2.8009917988476398e-05,28.0,1.0,0.00020200385993947588,-0.00020200385993947588,v0,hcp,28.610588169699998,0.0001373225,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",LDA,28.6106459643092,2.8009917988476398e-05,8.0,1.0,0.0304516812380621,-0.0304516812380621,v0,hcp,28.601933541599998,0.0001794725,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",LDA,28.6106459643092,2.8009917988476398e-05,24.0,1.0,0.003720826892636452,-0.003720826892636452,v0,hcp,28.609581411700002,0.0001255072,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",LDA,28.6106459643092,2.8009917988476398e-05,64.0,1.0,0.00022320470945256732,-0.00022320470945256732,v0,hcp,28.610582104000002,0.00012426480000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +65,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",LDA,28.6106459643092,2.8009917988476398e-05,36.0,1.0,0.001495126294370272,0.001495126294370272,v0,hcp,28.6110737296,0.00012475030000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,116.754747050559,0.00550993572372516,28.0,1.0,0.04146409176668487,-0.04146409176668487,B,hcp,116.7063357551,0.0128740166,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,116.754747050559,0.00550993572372516,42.0,1.0,0.05297722407143142,-0.05297722407143142,B,hcp,116.6928936266,0.011148373500000001,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.342166, -23.353342, -23.36064, -23.363632, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,116.754747050559,0.00550993572372516,4.0,1.0,0.014913439066823322,-0.014913439066823322,B,hcp,116.7373349025,0.6826078239000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",LDA,116.754747050559,0.00550993572372516,34.0,1.0,0.015419765374689021,-0.015419765374689021,B,hcp,116.7367437425,0.0114132283,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,116.754747050559,0.00550993572372516,34.0,1.0,0.058714643464836805,-0.058714643464836805,B,hcp,116.6861949171,0.0094562021,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,116.754747050559,0.00550993572372516,10.0,1.0,0.07350007192585449,-0.07350007192585449,B,hcp,116.6689322275,0.0314103944,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30236, -23.314728, -23.322811, -23.326810000000002, -23.326915, -23.323306, -23.316159, -23.305633, -23.291884, -23.275061, -23.255308]",LDA,116.754747050559,0.00550993572372516,52.0,1.0,0.0017881592070143175,-0.0017881592070143175,B,hcp,116.7526592898,0.0153534372,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302359, -23.314726, -23.322808, -23.326808, -23.326913, -23.323303, -23.316155, -23.30563, -23.291881, -23.275059, -23.255307]",LDA,116.754747050559,0.00550993572372516,48.0,1.0,0.0034861779600660115,-0.0034861779600660115,B,hcp,116.7506767723,0.016511124000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,116.754747050559,0.00550993572372516,32.0,1.0,0.0008819717270778806,-0.0008819717270778806,B,hcp,116.7537173067,0.0099233928,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",LDA,116.754747050559,0.00550993572372516,20.0,1.0,0.03398567685115799,0.03398567685115799,B,hcp,116.7944269416,0.024529174900000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",LDA,116.754747050559,0.00550993572372516,46.0,1.0,0.003378440756077147,-0.003378440756077147,B,hcp,116.7508025606,0.0163853306,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,116.754747050559,0.00550993572372516,24.0,1.0,0.052390680554101655,-0.052390680554101655,B,hcp,116.693578444,0.0364707976,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",LDA,116.754747050559,0.00550993572372516,22.0,1.0,0.003300918325264134,0.003300918325264134,B,hcp,116.75860102940001,0.037940123400000005,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,116.754747050559,0.00550993572372516,42.0,1.0,0.05297722407143142,-0.05297722407143142,B,hcp,116.6928936266,0.011148373500000001,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302344, -23.314709, -23.322793, -23.326794, -23.326899, -23.323287, -23.316139, -23.305615, -23.291867, -23.275045, -23.255293]",LDA,116.754747050559,0.00550993572372516,42.0,1.0,0.0025407199569446215,-0.0025407199569446215,B,hcp,116.75178063940001,0.0174898275,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",LDA,116.754747050559,0.00550993572372516,6.0,1.0,0.3885840540980644,0.3885840540980644,B,hcp,117.20843738,0.2754437911,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,116.754747050559,0.00550993572372516,40.0,1.0,0.008694820636800684,0.008694820636800684,B,hcp,116.7648986664,0.013193033500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,116.754747050559,0.00550993572372516,30.0,1.0,0.008074073129480048,-0.008074073129480048,B,hcp,116.7453201869,0.012656490500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,116.754747050559,0.00550993572372516,14.0,1.0,0.33316162517362397,0.33316162517362397,B,hcp,117.1437290633,0.0420555399,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,116.754747050559,0.00550993572372516,30.0,1.0,0.008074073129480048,-0.008074073129480048,B,hcp,116.7453201869,0.012656490500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.342174, -23.353518, -23.360297, -23.361829, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,116.754747050559,0.00550993572372516,4.0,1.0,3.194485127738657,-3.194485127738657,B,hcp,113.02503402010001,2.8756582726,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,116.754747050559,0.00550993572372516,38.0,1.0,0.010828946711273523,0.010828946711273523,B,hcp,116.76739035989999,0.016013470000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,116.754747050559,0.00550993572372516,26.0,1.0,0.03128893126990969,-0.03128893126990969,B,hcp,116.718215738,0.0218271998,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,116.754747050559,0.00550993572372516,38.0,1.0,0.010828946711273523,0.010828946711273523,B,hcp,116.76739035989999,0.016013470000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,116.754747050559,0.00550993572372516,8.0,1.0,0.671930791817214,0.671930791817214,B,hcp,117.53925814690001,0.3303867555,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,116.754747050559,0.00550993572372516,40.0,1.0,0.008694820636800684,0.008694820636800684,B,hcp,116.7648986664,0.013193033500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,116.754747050559,0.00550993572372516,12.0,1.0,0.248314892254829,0.248314892254829,B,hcp,117.0446664749,0.1029551952,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,116.754747050559,0.00550993572372516,24.0,1.0,0.052390680554101655,-0.052390680554101655,B,hcp,116.693578444,0.0364707976,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,116.754747050559,0.00550993572372516,16.0,1.0,0.10391778476334511,0.10391778476334511,B,hcp,116.87607599729999,0.0265746704,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,116.754747050559,0.00550993572372516,26.0,1.0,0.03128893126990969,-0.03128893126990969,B,hcp,116.718215738,0.0218271998,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,116.754747050559,0.00550993572372516,18.0,1.0,0.1742418904414238,0.1742418904414238,B,hcp,116.958182729,0.0296901746,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,116.754747050559,0.00550993572372516,12.0,1.0,0.248314892254829,0.248314892254829,B,hcp,117.0446664749,0.1029551952,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",LDA,116.754747050559,0.00550993572372516,6.0,1.0,0.26410523874242947,0.26410523874242947,B,hcp,117.063102454,0.11089041050000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,116.754747050559,0.00550993572372516,18.0,1.0,0.1742418904414238,0.1742418904414238,B,hcp,116.958182729,0.0296901746,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,116.754747050559,0.00550993572372516,34.0,1.0,0.058714643464836805,-0.058714643464836805,B,hcp,116.6861949171,0.0094562021,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,116.754747050559,0.00550993572372516,14.0,1.0,0.33316162517362397,0.33316162517362397,B,hcp,117.1437290633,0.0420555399,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,116.754747050559,0.00550993572372516,16.0,1.0,0.10391778476334511,0.10391778476334511,B,hcp,116.87607599729999,0.0265746704,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,116.754747050559,0.00550993572372516,32.0,1.0,0.0008819717270778806,-0.0008819717270778806,B,hcp,116.7537173067,0.0099233928,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.31472, -23.322804, -23.326803, -23.326907, -23.323297, -23.31615, -23.305624, -23.291876, -23.275052, -23.255299]",LDA,116.754747050559,0.00550993572372516,44.0,1.0,0.0009551200162469321,-0.0009551200162469321,B,hcp,116.7536319026,0.0148716911,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,116.754747050559,0.00550993572372516,8.0,1.0,0.671930791817214,0.671930791817214,B,hcp,117.53925814690001,0.3303867555,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,116.754747050559,0.00550993572372516,28.0,1.0,0.04146409176668487,-0.04146409176668487,B,hcp,116.7063357551,0.0128740166,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",LDA,116.754747050559,0.00550993572372516,22.0,1.0,0.0026246874053634356,0.0026246874053634356,B,hcp,116.7578114977,0.0377069759,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",LDA,116.754747050559,0.00550993572372516,20.0,1.0,0.034318163118159266,0.034318163118159266,B,hcp,116.79481513510001,0.024761705800000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302355, -23.314722, -23.322803, -23.326801, -23.326906, -23.323294, -23.316146, -23.305621, -23.291873, -23.27505, -23.255298]",LDA,116.754747050559,0.00550993572372516,50.0,1.0,0.005855051320558586,-0.005855051320558586,B,hcp,116.7479110002,0.014760587700000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,116.754747050559,0.00550993572372516,36.0,1.0,0.004233440323287127,0.004233440323287127,B,hcp,116.7596897931,0.0133568859,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,116.754747050559,0.00550993572372516,10.0,1.0,0.07350007192585449,-0.07350007192585449,B,hcp,116.6689322275,0.0314103944,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,116.754747050559,0.00550993572372516,36.0,1.0,0.0064390572810961175,0.0064390572810961175,B,hcp,116.76226495559999,0.012938861000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,-23.3273371582889,3.11290360308866e-06,28.0,1.0,-0.000380475869551233,-0.000380475869551233,E0,hcp,-23.327248403400002,1.6894e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,-23.3273371582889,3.11290360308866e-06,42.0,1.0,-5.30086696996073e-05,5.30086696996073e-05,E0,hcp,-23.327349523800002,2.3261e-06,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.342166, -23.353342, -23.36064, -23.363632, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,-23.3273371582889,3.11290360308866e-06,4.0,1.0,-0.1572958163296455,0.1572958163296455,E0,hcp,-23.364030083699998,8.22029e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",LDA,-23.3273371582889,3.11290360308866e-06,34.0,1.0,-9.785552780126904e-05,-9.785552780126904e-05,E0,hcp,-23.3273143312,1.4979e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,-23.3273371582889,3.11290360308866e-06,34.0,1.0,-2.6901960812809765e-05,2.6901960812809765e-05,E0,hcp,-23.3273434338,1.9751e-06,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,-23.3273371582889,3.11290360308866e-06,10.0,1.0,-0.0048490978778394185,0.0048490978778394185,E0,hcp,-23.328468323699997,4.0996000000000005e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30236, -23.314728, -23.322811, -23.326810000000002, -23.326915, -23.323306, -23.316159, -23.305633, -23.291884, -23.275061, -23.255308]",LDA,-23.3273371582889,3.11290360308866e-06,52.0,1.0,-8.029682105132559e-07,8.029682105132559e-07,E0,hcp,-23.3273373456,2.0145e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302359, -23.314726, -23.322808, -23.326808, -23.326913, -23.323303, -23.316155, -23.30563, -23.291881, -23.275059, -23.255307]",LDA,-23.3273371582889,3.11290360308866e-06,48.0,1.0,-1.0791582765612635e-05,-1.0791582765612635e-05,E0,hcp,-23.327334640900002,2.1669e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,-23.3273371582889,3.11290360308866e-06,32.0,1.0,-9.124449549706953e-05,9.124449549706953e-05,E0,hcp,-23.3273584432,1.3019e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",LDA,-23.3273371582889,3.11290360308866e-06,20.0,1.0,-0.00029886003888384484,-0.00029886003888384484,E0,hcp,-23.327267442199997,3.227e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",LDA,-23.3273371582889,3.11290360308866e-06,46.0,1.0,-9.617947766182174e-06,9.617947766182174e-06,E0,hcp,-23.3273394019,2.1504e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,-23.3273371582889,3.11290360308866e-06,24.0,1.0,-3.030955077754205e-05,3.030955077754205e-05,E0,hcp,-23.3273442287,4.7832e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",LDA,-23.3273371582889,3.11290360308866e-06,22.0,1.0,-0.0009419342953908391,-0.0009419342953908391,E0,hcp,-23.327117430100003,4.9776e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,-23.3273371582889,3.11290360308866e-06,42.0,1.0,-5.30086696996073e-05,5.30086696996073e-05,E0,hcp,-23.327349523800002,2.3261e-06,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302344, -23.314709, -23.322793, -23.326794, -23.326899, -23.323287, -23.316139, -23.305615, -23.291867, -23.275045, -23.255293]",LDA,-23.3273371582889,3.11290360308866e-06,42.0,1.0,-7.533688383620957e-05,-7.533688383620957e-05,E0,hcp,-23.3273195842,2.295e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",LDA,-23.3273371582889,3.11290360308866e-06,6.0,1.0,-0.012925599987858546,-0.012925599987858546,E0,hcp,-23.32432196,3.71e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,-23.3273371582889,3.11290360308866e-06,40.0,1.0,-4.417182688603388e-06,4.417182688603388e-06,E0,hcp,-23.327338188699997,1.7316e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,-23.3273371582889,3.11290360308866e-06,30.0,1.0,-0.00011190599559293271,-0.00011190599559293271,E0,hcp,-23.327311053600006,1.6605e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,-23.3273371582889,3.11290360308866e-06,14.0,1.0,-0.0032592956655987638,-0.0032592956655987638,E0,hcp,-23.3265768514,5.5292e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,-23.3273371582889,3.11290360308866e-06,30.0,1.0,-0.00011190599559293271,-0.00011190599559293271,E0,hcp,-23.327311053600006,1.6605e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.342174, -23.353518, -23.360297, -23.361829, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,-23.3273371582889,3.11290360308866e-06,4.0,1.0,-0.1548391788827265,0.1548391788827265,E0,hcp,-23.363457015599998,0.0003481649,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,-23.3273371582889,3.11290360308866e-06,38.0,1.0,-1.7362080695809102e-05,1.7362080695809102e-05,E0,hcp,-23.3273412084,2.1010000000000003e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,-23.3273371582889,3.11290360308866e-06,26.0,1.0,-0.00010283133023438387,0.00010283133023438387,E0,hcp,-23.327361146100007,2.865e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,-23.3273371582889,3.11290360308866e-06,38.0,1.0,-1.7362080695809102e-05,1.7362080695809102e-05,E0,hcp,-23.3273412084,2.1010000000000003e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,-23.3273371582889,3.11290360308866e-06,8.0,1.0,-0.03640613727691992,-0.03640613727691992,E0,hcp,-23.318844575900002,4.27203e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,-23.3273371582889,3.11290360308866e-06,40.0,1.0,-4.417182688603388e-06,4.417182688603388e-06,E0,hcp,-23.327338188699997,1.7316e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,-23.3273371582889,3.11290360308866e-06,12.0,1.0,-0.005450953542068146,0.005450953542068146,E0,hcp,-23.3286087206,1.34362e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,-23.3273371582889,3.11290360308866e-06,24.0,1.0,-3.030955077754205e-05,3.030955077754205e-05,E0,hcp,-23.3273442287,4.7832e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,-23.3273371582889,3.11290360308866e-06,16.0,1.0,-0.0022411224451047234,-0.0022411224451047234,E0,hcp,-23.3268143641,3.4904e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,-23.3273371582889,3.11290360308866e-06,26.0,1.0,-0.00010283133023438387,0.00010283133023438387,E0,hcp,-23.327361146100007,2.865e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,-23.3273371582889,3.11290360308866e-06,18.0,1.0,-0.0010482204181468222,0.0010482204181468222,E0,hcp,-23.3275816802,3.8932e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,-23.3273371582889,3.11290360308866e-06,12.0,1.0,-0.005450953542068146,0.005450953542068146,E0,hcp,-23.3286087206,1.34362e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",LDA,-23.3273371582889,3.11290360308866e-06,6.0,1.0,-0.012754004319962691,-0.012754004319962691,E0,hcp,-23.324361988699998,1.4988800000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,-23.3273371582889,3.11290360308866e-06,18.0,1.0,-0.0010482204181468222,0.0010482204181468222,E0,hcp,-23.3275816802,3.8932e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,-23.3273371582889,3.11290360308866e-06,34.0,1.0,-2.6901960812809765e-05,2.6901960812809765e-05,E0,hcp,-23.3273434338,1.9751e-06,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,-23.3273371582889,3.11290360308866e-06,14.0,1.0,-0.0032592956655987638,-0.0032592956655987638,E0,hcp,-23.3265768514,5.5292e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,-23.3273371582889,3.11290360308866e-06,16.0,1.0,-0.0022411224451047234,-0.0022411224451047234,E0,hcp,-23.3268143641,3.4904e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,-23.3273371582889,3.11290360308866e-06,32.0,1.0,-9.124449549706953e-05,9.124449549706953e-05,E0,hcp,-23.3273584432,1.3019e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.31472, -23.322804, -23.326803, -23.326907, -23.323297, -23.31615, -23.305624, -23.291876, -23.275052, -23.255299]",LDA,-23.3273371582889,3.11290360308866e-06,44.0,1.0,-3.291283890128024e-05,-3.291283890128024e-05,E0,hcp,-23.3273294806,1.9514e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,-23.3273371582889,3.11290360308866e-06,8.0,1.0,-0.03640613727691992,-0.03640613727691992,E0,hcp,-23.318844575900002,4.27203e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,-23.3273371582889,3.11290360308866e-06,28.0,1.0,-0.000380475869551233,-0.000380475869551233,E0,hcp,-23.327248403400002,1.6894e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",LDA,-23.3273371582889,3.11290360308866e-06,22.0,1.0,-0.0009418507024965794,-0.0009418507024965794,E0,hcp,-23.3271174496,4.9466e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",LDA,-23.3273371582889,3.11290360308866e-06,20.0,1.0,-0.0002988150273054813,-0.0002988150273054813,E0,hcp,-23.3272674527,3.2576e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302355, -23.314722, -23.322803, -23.326801, -23.326906, -23.323294, -23.316146, -23.305621, -23.291873, -23.27505, -23.255298]",LDA,-23.3273371582889,3.11290360308866e-06,50.0,1.0,-4.076842905371329e-05,-4.076842905371329e-05,E0,hcp,-23.3273276481,1.9367e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,-23.3273371582889,3.11290360308866e-06,36.0,1.0,-0.00016442034783764465,-0.00016442034783764465,E0,hcp,-23.3272988034,1.7528e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,-23.3273371582889,3.11290360308866e-06,10.0,1.0,-0.0048490978778394185,0.0048490978778394185,E0,hcp,-23.328468323699997,4.0996000000000005e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,-23.3273371582889,3.11290360308866e-06,36.0,1.0,-0.0001639273640132301,-0.0001639273640132301,E0,hcp,-23.3272989184,1.6982e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,3.73122462327298,0.00333501136945536,28.0,1.0,0.027089863919614474,-0.027089863919614474,dB,hcp,3.7302138396,0.0070678706999999985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,3.73122462327298,0.00333501136945536,42.0,1.0,1.2970529265677802,-1.2970529265677802,dB,hcp,3.6828286651,0.0105034136,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.342166, -23.353342, -23.36064, -23.363632, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,3.73122462327298,0.00333501136945536,4.0,1.0,14.91798569030446,-14.91798569030446,dB,hcp,3.1746010679000003,0.3349598735,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",LDA,3.73122462327298,0.00333501136945536,34.0,1.0,0.029359190014649376,0.029359190014649376,dB,hcp,3.7323200806,0.0062658336,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,3.73122462327298,0.00333501136945536,34.0,1.0,1.1259780183409889,-1.1259780183409889,dB,hcp,3.6892118542,0.0089233543,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,3.73122462327298,0.00333501136945536,10.0,1.0,3.102087549246746,-3.102087549246746,dB,hcp,3.6154787688,0.0171075985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30236, -23.314728, -23.322811, -23.326810000000002, -23.326915, -23.323306, -23.316159, -23.305633, -23.291884, -23.275061, -23.255308]",LDA,3.73122462327298,0.00333501136945536,52.0,1.0,0.04240500995600648,-0.04240500995600648,dB,hcp,3.7296423971,0.0084256251,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302359, -23.314726, -23.322808, -23.326808, -23.326913, -23.323303, -23.316155, -23.30563, -23.291881, -23.275059, -23.255307]",LDA,3.73122462327298,0.00333501136945536,48.0,1.0,0.0049881351516365,0.0049881351516365,dB,hcp,3.7314107418,0.0090605446,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,3.73122462327298,0.00333501136945536,32.0,1.0,0.16238786561461493,0.16238786561461493,dB,hcp,3.7372836793,0.0054445936,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",LDA,3.73122462327298,0.00333501136945536,20.0,1.0,0.3623942134890578,0.3623942134890578,dB,hcp,3.7447463654,0.0135012163,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",LDA,3.73122462327298,0.00333501136945536,46.0,1.0,0.08259242163440063,-0.08259242163440063,dB,hcp,3.7281429145,0.0089923923,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,3.73122462327298,0.00333501136945536,24.0,1.0,0.7307581377682499,-0.7307581377682499,dB,hcp,3.7039583957,0.020002322000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",LDA,3.73122462327298,0.00333501136945536,22.0,1.0,0.09486009780657992,0.09486009780657992,dB,hcp,3.7347640666,0.0208133491,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,3.73122462327298,0.00333501136945536,42.0,1.0,1.2970529265677802,-1.2970529265677802,dB,hcp,3.6828286651,0.0105034136,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302344, -23.314709, -23.322793, -23.326794, -23.326899, -23.323287, -23.316139, -23.305615, -23.291867, -23.275045, -23.255293]",LDA,3.73122462327298,0.00333501136945536,42.0,1.0,0.04164346250634331,0.04164346250634331,dB,hcp,3.7327784344,0.0095974015,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",LDA,3.73122462327298,0.00333501136945536,6.0,1.0,6.757551918861604,6.757551918861604,dB,hcp,3.9833640644,0.15593206410000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,3.73122462327298,0.00333501136945536,40.0,1.0,0.16190758094110164,0.16190758094110164,dB,hcp,3.7372657588,0.0072418701,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,3.73122462327298,0.00333501136945536,30.0,1.0,0.03963598341829908,-0.03963598341829908,dB,hcp,3.7297457157,0.0069439581000000005,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,3.73122462327298,0.00333501136945536,14.0,1.0,3.7351875375642227,3.7351875375642227,dB,hcp,3.8705928604,0.0231004838,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,3.73122462327298,0.00333501136945536,30.0,1.0,0.03963598341829908,-0.03963598341829908,dB,hcp,3.7297457157,0.0069439581000000005,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.342174, -23.353518, -23.360297, -23.361829, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,3.73122462327298,0.00333501136945536,4.0,1.0,56.546519687207244,-56.546519687207244,dB,hcp,1.6213469571,1.4309487556,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,3.73122462327298,0.00333501136945536,38.0,1.0,0.2233886315777121,0.2233886315777121,dB,hcp,3.7395597549,0.0087871535,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,3.73122462327298,0.00333501136945536,26.0,1.0,0.23207407345485354,-0.23207407345485354,dB,hcp,3.7225654183,0.011983185300000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,3.73122462327298,0.00333501136945536,38.0,1.0,0.2233886315777121,0.2233886315777121,dB,hcp,3.7395597549,0.0087871535,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,3.73122462327298,0.00333501136945536,8.0,1.0,16.21851793517034,16.21851793517034,dB,hcp,4.336373958,0.1785102845,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,3.73122462327298,0.00333501136945536,40.0,1.0,0.16190758094110164,0.16190758094110164,dB,hcp,3.7372657588,0.0072418701,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,3.73122462327298,0.00333501136945536,12.0,1.0,5.658334443607518,5.658334443607518,dB,hcp,3.9423497913,0.056163706,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,3.73122462327298,0.00333501136945536,24.0,1.0,0.7307581377682499,-0.7307581377682499,dB,hcp,3.7039583957,0.020002322000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,3.73122462327298,0.00333501136945536,16.0,1.0,1.3831281077297024,1.3831281077297024,dB,hcp,3.7828322398000003,0.0145971253,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,3.73122462327298,0.00333501136945536,26.0,1.0,0.23207407345485354,-0.23207407345485354,dB,hcp,3.7225654183,0.011983185300000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,3.73122462327298,0.00333501136945536,18.0,1.0,1.7070834098202214,1.7070834098202214,dB,hcp,3.7949197398,0.0162660911,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,3.73122462327298,0.00333501136945536,12.0,1.0,5.658334443607518,5.658334443607518,dB,hcp,3.9423497913,0.056163706,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",LDA,3.73122462327298,0.00333501136945536,6.0,1.0,0.8203417688139654,-0.8203417688139654,dB,hcp,3.7006158292,0.0628728196,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,3.73122462327298,0.00333501136945536,18.0,1.0,1.7070834098202214,1.7070834098202214,dB,hcp,3.7949197398,0.0162660911,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,3.73122462327298,0.00333501136945536,34.0,1.0,1.1259780183409889,-1.1259780183409889,dB,hcp,3.6892118542,0.0089233543,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,3.73122462327298,0.00333501136945536,14.0,1.0,3.7351875375642227,3.7351875375642227,dB,hcp,3.8705928604,0.0231004838,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,3.73122462327298,0.00333501136945536,16.0,1.0,1.3831281077297024,1.3831281077297024,dB,hcp,3.7828322398000003,0.0145971253,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,3.73122462327298,0.00333501136945536,32.0,1.0,0.16238786561461493,0.16238786561461493,dB,hcp,3.7372836793,0.0054445936,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.31472, -23.322804, -23.326803, -23.326907, -23.323297, -23.31615, -23.305624, -23.291876, -23.275052, -23.255299]",LDA,3.73122462327298,0.00333501136945536,44.0,1.0,0.014834086094079433,-0.014834086094079433,dB,hcp,3.7306711302,0.0081612686,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,3.73122462327298,0.00333501136945536,8.0,1.0,16.21851793517034,16.21851793517034,dB,hcp,4.336373958,0.1785102845,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,3.73122462327298,0.00333501136945536,28.0,1.0,0.027089863919614474,-0.027089863919614474,dB,hcp,3.7302138396,0.0070678706999999985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",LDA,3.73122462327298,0.00333501136945536,22.0,1.0,0.07428843628794202,0.07428843628794202,dB,hcp,3.7339964917,0.0206862713,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",LDA,3.73122462327298,0.00333501136945536,20.0,1.0,0.38866713455324037,0.38866713455324037,dB,hcp,3.7457266671,0.0136284456,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302355, -23.314722, -23.322803, -23.326801, -23.326906, -23.323294, -23.316146, -23.305621, -23.291873, -23.27505, -23.255298]",LDA,3.73122462327298,0.00333501136945536,50.0,1.0,0.03393960843636842,0.03393960843636842,dB,hcp,3.7324909863,0.008099006700000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,3.73122462327298,0.00333501136945536,36.0,1.0,0.04611617902302944,0.04611617902302944,dB,hcp,3.7329453215,0.0073305772,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,3.73122462327298,0.00333501136945536,10.0,1.0,3.102087549246746,-3.102087549246746,dB,hcp,3.6154787688,0.0171075985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,3.73122462327298,0.00333501136945536,36.0,1.0,0.07238650040455062,0.07238650040455062,dB,hcp,3.7339255262,0.007101208400000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,50.5586733444579,0.000156226603273091,28.0,1.0,0.00012245229908672246,-0.00012245229908672246,v0,hcp,50.5586114342,9.55586e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,50.5586733444579,0.000156226603273091,42.0,1.0,0.005327726144129932,-0.005327726144129932,v0,hcp,50.5559797168,0.00017099099999999998,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.342166, -23.353342, -23.36064, -23.363632, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,50.5586733444579,0.000156226603273091,4.0,1.0,0.20970612111506876,-0.20970612111506876,v0,hcp,50.4526487117,0.0042892919000000005,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",LDA,50.5586733444579,0.000156226603273091,34.0,1.0,0.0002700714497869805,0.0002700714497869805,v0,hcp,50.558809888999996,8.472340000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,50.5586733444579,0.000156226603273091,34.0,1.0,0.0043434985782552634,-0.0043434985782552634,v0,hcp,50.5564773292,0.0001452976,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,50.5586733444579,0.000156226603273091,10.0,1.0,0.012311521537542247,-0.012311521537542247,v0,hcp,50.5524488025,0.00023054380000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30236, -23.314728, -23.322811, -23.326810000000002, -23.326915, -23.323306, -23.316159, -23.305633, -23.291884, -23.275061, -23.255308]",LDA,50.5586733444579,0.000156226603273091,52.0,1.0,7.672977816127575e-05,-7.672977816127575e-05,v0,hcp,50.5586345509,0.0001139015,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302359, -23.314726, -23.322808, -23.326808, -23.326913, -23.323303, -23.316155, -23.30563, -23.291881, -23.275059, -23.255307]",LDA,50.5586733444579,0.000156226603273091,48.0,1.0,0.00017921506223828764,-0.00017921506223828764,v0,hcp,50.5585827357,0.0001224986,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,50.5586733444579,0.000156226603273091,32.0,1.0,0.0007809021317023237,-0.0007809021317023237,v0,hcp,50.558278530699994,7.35982e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",LDA,50.5586733444579,0.000156226603273091,20.0,1.0,0.005875413941070269,0.005875413941070269,v0,hcp,50.5616438758,0.0001828084,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",LDA,50.5586733444579,0.000156226603273091,46.0,1.0,1.5924749537703987e-05,1.5924749537703987e-05,v0,hcp,50.5586813958,0.0001215755,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,50.5586733444579,0.000156226603273091,24.0,1.0,0.0012481673591369863,-0.0012481673591369863,v0,hcp,50.5580422876,0.000270321,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",LDA,50.5586733444579,0.000156226603273091,22.0,1.0,0.0008142437897902936,-0.0008142437897902936,v0,hcp,50.55826167359999,0.000281346,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27770439, -23.29613096, -23.31010623, -23.31984023, -23.32552969, -23.32735454, -23.32549488, -23.32011655, -23.31138728, -23.29945561, -23.28446592]",LDA,50.5586733444579,0.000156226603273091,42.0,1.0,0.005327726144129932,-0.005327726144129932,v0,hcp,50.5559797168,0.00017099099999999998,"[48.0341207496, 48.5397430733, 49.045365397, 49.5509877207, 50.0566100443, 50.562232368, 51.0678546917, 51.5734770154, 52.0790993391, 52.5847216627, 53.0903439864]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302344, -23.314709, -23.322793, -23.326794, -23.326899, -23.323287, -23.316139, -23.305615, -23.291867, -23.275045, -23.255293]",LDA,50.5586733444579,0.000156226603273091,42.0,1.0,0.0001785006447695028,-0.0001785006447695028,v0,hcp,50.558583096899994,0.00012974780000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",LDA,50.5586733444579,0.000156226603273091,6.0,1.0,0.060061258006544146,0.060061258006544146,v0,hcp,50.5890395197,0.0021413098,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,50.5586733444579,0.000156226603273091,40.0,1.0,0.00012395764752950731,0.00012395764752950731,v0,hcp,50.5587360158,9.79123e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,50.5586733444579,0.000156226603273091,30.0,1.0,0.0008526130718787201,-0.0008526130718787201,v0,hcp,50.5582422746,9.385760000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,50.5586733444579,0.000156226603273091,14.0,1.0,0.0033381398886808585,0.0033381398886808585,v0,hcp,50.5603610637,0.00031261470000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",LDA,50.5586733444579,0.000156226603273091,30.0,1.0,0.0008526130718787201,-0.0008526130718787201,v0,hcp,50.5582422746,9.385760000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.342174, -23.353518, -23.360297, -23.361829, -23.363404, -23.358903, -23.350868, -23.339466, -23.324856, -23.307188, -23.286607]",LDA,50.5586733444579,0.000156226603273091,4.0,1.0,0.18603355396034735,-0.18603355396034735,v0,hcp,50.4646172476,0.0184680972,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,50.5586733444579,0.000156226603273091,38.0,1.0,0.000544256681784055,-0.000544256681784055,v0,hcp,50.5583981755,0.0001187833,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,50.5586733444579,0.000156226603273091,26.0,1.0,0.0005304406234446711,0.0005304406234446711,v0,hcp,50.558941528199995,0.0001620135,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",LDA,50.5586733444579,0.000156226603273091,38.0,1.0,0.000544256681784055,-0.000544256681784055,v0,hcp,50.5583981755,0.0001187833,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,50.5586733444579,0.000156226603273091,8.0,1.0,0.04055488406154519,-0.04055488406154519,v0,hcp,50.5381693331,0.0023882476000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",LDA,50.5586733444579,0.000156226603273091,40.0,1.0,0.00012395764752950731,0.00012395764752950731,v0,hcp,50.5587360158,9.79123e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,50.5586733444579,0.000156226603273091,12.0,1.0,0.01500272625076826,-0.01500272625076826,v0,hcp,50.55108816510001,0.0007564267000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",LDA,50.5586733444579,0.000156226603273091,24.0,1.0,0.0012481673591369863,-0.0012481673591369863,v0,hcp,50.5580422876,0.000270321,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,50.5586733444579,0.000156226603273091,16.0,1.0,0.0018277442444117077,0.0018277442444117077,v0,hcp,50.559597427700005,0.0001974305,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",LDA,50.5586733444579,0.000156226603273091,26.0,1.0,0.0005304406234446711,0.0005304406234446711,v0,hcp,50.558941528199995,0.0001620135,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,50.5586733444579,0.000156226603273091,18.0,1.0,0.0023719187600735794,-0.0023719187600735794,v0,hcp,50.5574741338,0.0002197697,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",LDA,50.5586733444579,0.000156226603273091,12.0,1.0,0.01500272625076826,-0.01500272625076826,v0,hcp,50.55108816510001,0.0007564267000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",LDA,50.5586733444579,0.000156226603273091,6.0,1.0,0.07089678124638246,0.07089678124638246,v0,hcp,50.594517816499994,0.0008656015000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",LDA,50.5586733444579,0.000156226603273091,18.0,1.0,0.0023719187600735794,-0.0023719187600735794,v0,hcp,50.5574741338,0.0002197697,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783933, -23.29623582, -23.31018428, -23.31989134, -23.32555005, -23.32734747, -23.3254588, -23.32005913, -23.3113061, -23.29935193, -23.28433811]",LDA,50.5586733444579,0.000156226603273091,34.0,1.0,0.0043434985782552634,-0.0043434985782552634,v0,hcp,50.5564773292,0.0001452976,"[48.0381085827, 48.5437728835, 49.0494371844, 49.5551014853, 50.0607657862, 50.566430087, 51.0720943879, 51.5777586888, 52.0834229896, 52.5890872905, 53.0947515914]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",LDA,50.5586733444579,0.000156226603273091,14.0,1.0,0.0033381398886808585,0.0033381398886808585,v0,hcp,50.5603610637,0.00031261470000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",LDA,50.5586733444579,0.000156226603273091,16.0,1.0,0.0018277442444117077,0.0018277442444117077,v0,hcp,50.559597427700005,0.0001974305,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",LDA,50.5586733444579,0.000156226603273091,32.0,1.0,0.0007809021317023237,-0.0007809021317023237,v0,hcp,50.558278530699994,7.35982e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.31472, -23.322804, -23.326803, -23.326907, -23.323297, -23.31615, -23.305624, -23.291876, -23.275052, -23.255299]",LDA,50.5586733444579,0.000156226603273091,44.0,1.0,0.0001615118682970738,-0.0001615118682970738,v0,hcp,50.558591686199996,0.0001103283,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",LDA,50.5586733444579,0.000156226603273091,8.0,1.0,0.04055488406154519,-0.04055488406154519,v0,hcp,50.5381693331,0.0023882476000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",LDA,50.5586733444579,0.000156226603273091,28.0,1.0,0.00012245229908672246,-0.00012245229908672246,v0,hcp,50.5586114342,9.55586e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",LDA,50.5586733444579,0.000156226603273091,22.0,1.0,0.0007885848886573937,-0.0007885848886573937,v0,hcp,50.5582746464,0.00027962230000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",LDA,50.5586733444579,0.000156226603273091,20.0,1.0,0.0058546839667512895,0.0058546839667512895,v0,hcp,50.561633395,0.0001845392,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302355, -23.314722, -23.322803, -23.326801, -23.326906, -23.323294, -23.316146, -23.305621, -23.291873, -23.27505, -23.255298]",LDA,50.5586733444579,0.000156226603273091,50.0,1.0,0.0004073383344142613,-0.0004073383344142613,v0,hcp,50.5584673996,0.0001094706,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,50.5586733444579,0.000156226603273091,36.0,1.0,7.974070408202771e-05,7.974070408202771e-05,v0,hcp,50.5587136603,9.91066e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",LDA,50.5586733444579,0.000156226603273091,10.0,1.0,0.012311521537542247,-0.012311521537542247,v0,hcp,50.5524488025,0.00023054380000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",LDA,50.5586733444579,0.000156226603273091,36.0,1.0,8.480135902575534e-05,8.480135902575534e-05,v0,hcp,50.5587162189,9.601270000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,187.397035441399,0.00391400597156019,68.0,1.0,79.39693658960064,-79.39693658960064,B,bcc,38.609530041199996,0.0045857429,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,187.397035441399,0.00391400597156019,68.0,1.0,79.39693658960064,-79.39693658960064,B,bcc,38.609530041199996,0.0045857429,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,-8.94085226358273,5.73878291546655e-07,68.0,1.0,-29.446226967715834,-29.446226967715834,E0,bcc,-6.308108613200001,6.213e-07,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,-8.94085226358273,5.73878291546655e-07,68.0,1.0,-29.446226967715834,-29.446226967715834,E0,bcc,-6.308108613200001,6.213e-07,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,3.89404155535223,0.00242030268757949,68.0,1.0,23.860472802997243,-23.860472802997243,dB,bcc,2.9649048291000004,0.0130425821,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,3.89404155535223,0.00242030268757949,68.0,1.0,23.860472802997243,-23.860472802997243,dB,bcc,2.9649048291000004,0.0130425821,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,13.2087111148688,1.70361502500603e-05,68.0,1.0,148.96704613277208,148.96704613277208,v0,bcc,32.8853378949,0.0001380818,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744822, -6.3013691, -6.30436039, -6.30645819, -6.3076966500000005, -6.30810989, -6.3077293, -6.30658554, -6.30470919, -6.30212924, -6.29887247]",LDA,13.2087111148688,1.70361502500603e-05,68.0,1.0,148.96704613277208,148.96704613277208,v0,bcc,32.8853378949,0.0001380818,"[31.236745361, 31.5655532069, 31.8943610528, 32.2231688987, 32.5519767446, 32.8807845905, 33.2095924364, 33.5384002823, 33.8672081282, 34.1960159741, 34.52482382]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,187.397035441399,0.00391400597156019,60.0,1.0,79.04966928819047,-79.04966928819047,B,fcc,39.260298669099996,0.0036960938,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,187.397035441399,0.00391400597156019,62.0,1.0,79.05600616757174,-79.05600616757174,B,fcc,39.248423545,0.0037697509999999996,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,187.397035441399,0.00391400597156019,60.0,1.0,79.04966928819047,-79.04966928819047,B,fcc,39.260298669099996,0.0036960938,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,187.397035441399,0.00391400597156019,62.0,1.0,79.05600616757174,-79.05600616757174,B,fcc,39.248423545,0.0037697509999999996,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,-8.94085226358273,5.73878291546655e-07,60.0,1.0,-28.336910871486598,-28.336910871486598,E0,fcc,-6.4072909265,4.917e-07,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,-8.94085226358273,5.73878291546655e-07,62.0,1.0,-28.336909862634226,-28.336909862634226,E0,fcc,-6.4072910167,5.012000000000001e-07,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,-8.94085226358273,5.73878291546655e-07,60.0,1.0,-28.336910871486598,-28.336910871486598,E0,fcc,-6.4072909265,4.917e-07,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,-8.94085226358273,5.73878291546655e-07,62.0,1.0,-28.336909862634226,-28.336909862634226,E0,fcc,-6.4072910167,5.012000000000001e-07,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,3.89404155535223,0.00242030268757949,60.0,1.0,17.456971208175542,-17.456971208175542,dB,fcc,3.2142598422,0.0103255523,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,3.89404155535223,0.00242030268757949,62.0,1.0,16.648325931734682,-16.648325931734682,dB,fcc,3.2457488253,0.0105264411,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,3.89404155535223,0.00242030268757949,60.0,1.0,17.456971208175542,-17.456971208175542,dB,fcc,3.2142598422,0.0103255523,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,3.89404155535223,0.00242030268757949,62.0,1.0,16.648325931734682,-16.648325931734682,dB,fcc,3.2457488253,0.0105264411,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,13.2087111148688,1.70361502500603e-05,60.0,1.0,144.6289499013012,144.6289499013012,v0,fcc,32.3123312958,0.0001074012,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,13.2087111148688,1.70361502500603e-05,62.0,1.0,144.6252212861796,144.6252212861796,v0,fcc,32.3118387938,0.0001094748,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39659756, -6.4005376, -6.4035393, -6.40564117, -6.4068803, -6.40729117, -6.40691058, -6.40577071, -6.40390066, -6.40133233, -6.39809481]",LDA,13.2087111148688,1.70361502500603e-05,60.0,1.0,144.6289499013012,144.6289499013012,v0,fcc,32.3123312958,0.0001074012,"[30.6928056772, 31.0158878422, 31.3389700073, 31.6620521723, 31.9851343373, 32.3082165023, 32.6312986674, 32.9543808324, 33.2774629974, 33.6005451624, 33.9236273274]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39658125, -6.40052623, -6.40353103, -6.40563569, -6.40687769, -6.40729212, -6.4069137, -6.40577541, -6.40391057, -6.40134708, -6.39811455]",LDA,13.2087111148688,1.70361502500603e-05,62.0,1.0,144.6252212861796,144.6252212861796,v0,fcc,32.3118387938,0.0001094748,"[30.691328942, 31.0143955624, 31.3374621829, 31.6605288033, 31.9835954238, 32.3066620442, 32.6297286646, 32.9527952851, 33.2758619055, 33.598928526, 33.9219951464]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",LDA,41.1700690152688,0.137126217083347,4.0,1.0,4.022785859199231,-4.022785859199231,B,hcp,39.513885300700004,0.1107364368,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",LDA,41.1700690152688,0.137126217083347,20.0,1.0,81.05908104587934,81.05908104587934,B,hcp,74.542148625,27.281131236100002,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",LDA,41.1700690152688,0.137126217083347,6.0,1.0,12.797461575488692,12.797461575488692,B,hcp,46.4387927781,3.1883175033999995,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,41.1700690152688,0.137126217083347,48.0,1.0,0.0008426910061115132,-0.0008426910061115132,B,hcp,41.1697220788,0.0057689279,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,41.1700690152688,0.137126217083347,26.0,1.0,0.027424455772996344,-0.027424455772996344,B,hcp,41.1587783479,0.0065085988,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",LDA,41.1700690152688,0.137126217083347,22.0,1.0,1620.627417601561,1620.627417601561,B,hcp,708.3834953222,5056.7537644819,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,41.1700690152688,0.137126217083347,42.0,1.0,0.0121012919102857,0.0121012919102857,B,hcp,41.175051125500005,0.0076374673,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,41.1700690152688,0.137126217083347,28.0,1.0,0.025498666676778237,-0.025498666676778237,B,hcp,41.1595711966,0.006339051500000001,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",LDA,41.1700690152688,0.137126217083347,22.0,1.0,0.0343572769478469,0.0343572769478469,B,hcp,41.1842139299,0.005691425700000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",LDA,41.1700690152688,0.137126217083347,6.0,1.0,0.004915869992954362,-0.004915869992954362,B,hcp,41.1680451482,0.0131567475,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",LDA,41.1700690152688,0.137126217083347,24.0,1.0,0.0652857662716899,0.0652857662716899,B,hcp,41.1969472103,0.005308934499999999,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",LDA,41.1700690152688,0.137126217083347,14.0,1.0,0.035862139466725375,-0.035862139466725375,B,hcp,41.1553045477,0.0101977843,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",LDA,41.1700690152688,0.137126217083347,20.0,1.0,0.0018067128595849109,0.0018067128595849109,B,hcp,41.1708128402,0.0048914181,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",LDA,41.1700690152688,0.137126217083347,16.0,1.0,1872191.1769004967,-1872191.1769004967,B,hcp,-770741.2295586925,2765343.5085773426,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, 311.02672, -12.84814, -12.844321, -12.837413]",LDA,41.1700690152688,0.137126217083347,18.0,1.0,794816.615116877,-794816.615116877,B,hcp,-327185.3789194264,551839.3020365164,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,41.1700690152688,0.137126217083347,48.0,1.0,0.0008426910061115132,-0.0008426910061115132,B,hcp,41.1697220788,0.0057689279,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",LDA,41.1700690152688,0.137126217083347,16.0,1.0,0.028408732238138126,-0.028408732238138126,B,hcp,41.1583731206,0.0037579165,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",LDA,41.1700690152688,0.137126217083347,8.0,1.0,1.1790796738494003,-1.1790796738494003,B,hcp,40.6846410998,0.012880861499999998,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",LDA,41.1700690152688,0.137126217083347,12.0,1.0,0.07452331730953898,-0.07452331730953898,B,hcp,41.139387714099996,0.0018924585,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",LDA,41.1700690152688,0.137126217083347,10.0,1.0,9694.999421492003,-9694.999421492003,B,hcp,-3950.2678838428997,6488.6597207872,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",LDA,41.1700690152688,0.137126217083347,8.0,1.0,11.960715617801219,-11.960715617801219,B,hcp,36.245834140700005,0.4791297833,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,41.1700690152688,0.137126217083347,26.0,1.0,0.027424455772996344,-0.027424455772996344,B,hcp,41.1587783479,0.0065085988,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",LDA,41.1700690152688,0.137126217083347,4.0,1.0,2.4985633873659507,-2.4985633873659507,B,hcp,40.1414087443,0.016052681200000002,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865977, -12.861497, -12.865252, -12.852047, -12.849072, -12.840435, -12.839672]",LDA,41.1700690152688,0.137126217083347,14.0,1.0,22.975226158652188,22.975226158652188,B,hcp,50.6289854812,7.6498271127,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,41.1700690152688,0.137126217083347,42.0,1.0,0.0121012919102857,0.0121012919102857,B,hcp,41.175051125500005,0.0076374673,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",LDA,41.1700690152688,0.137126217083347,18.0,1.0,0.1498243850607144,0.1498243850607144,B,hcp,41.231751818,0.0103354436,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",LDA,41.1700690152688,0.137126217083347,12.0,1.0,7554423.420928147,-7554423.420928147,B,hcp,-3110120.166032733,8618300.920955028,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",LDA,41.1700690152688,0.137126217083347,10.0,1.0,0.4025215468299045,0.4025215468299045,B,hcp,41.3357874139,0.023547129500000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,41.1700690152688,0.137126217083347,28.0,1.0,0.025498666676778237,-0.025498666676778237,B,hcp,41.1595711966,0.006339051500000001,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",LDA,-12.8664583728327,4.7019502430007895e-05,4.0,1.0,-0.2955095724941771,-0.2955095724941771,E0,hcp,-12.8284367567,2.34006e-05,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",LDA,-12.8664583728327,4.7019502430007895e-05,20.0,1.0,-0.00758484972646688,-0.00758484972646688,E0,hcp,-12.865482471300002,0.0030756327000000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",LDA,-12.8664583728327,4.7019502430007895e-05,6.0,1.0,-0.03564962400517886,-0.03564962400517886,E0,hcp,-12.861871528800002,0.0007929278000000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,-12.8664583728327,4.7019502430007895e-05,48.0,1.0,-1.9466685623631946e-06,1.9466685623631946e-06,E0,hcp,-12.8664586233,1.5573e-06,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,-12.8664583728327,4.7019502430007895e-05,26.0,1.0,-0.00015557142546913268,-0.00015557142546913268,E0,hcp,-12.866438356300002,1.7569e-06,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",LDA,-12.8664583728327,4.7019502430007895e-05,22.0,1.0,-0.11375255756629124,0.11375255756629124,E0,hcp,-12.881094298299999,0.22993113420000005,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,-12.8664583728327,4.7019502430007895e-05,42.0,1.0,-9.286683760130356e-06,9.286683760130356e-06,E0,hcp,-12.8664595677,2.0596e-06,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,-12.8664583728327,4.7019502430007895e-05,28.0,1.0,-9.010459191548585e-07,-9.010459191548585e-07,E0,hcp,-12.866458256900001,1.7116e-06,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",LDA,-12.8664583728327,4.7019502430007895e-05,22.0,1.0,-5.775736235681542e-06,-5.775736235681542e-06,E0,hcp,-12.866457629700001,1.5505e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",LDA,-12.8664583728327,4.7019502430007895e-05,6.0,1.0,-0.09018571802012698,0.09018571802012698,E0,hcp,-12.8780620807,3.5581000000000007e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",LDA,-12.8664583728327,4.7019502430007895e-05,24.0,1.0,-0.00032017643167058695,0.00032017643167058695,E0,hcp,-12.8664995682,1.4458000000000004e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",LDA,-12.8664583728327,4.7019502430007895e-05,14.0,1.0,-0.00025115122098661146,0.00025115122098661146,E0,hcp,-12.8664906871,2.7794e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",LDA,-12.8664583728327,4.7019502430007895e-05,20.0,1.0,-0.0002708979137066271,0.0002708979137066271,E0,hcp,-12.8664932278,1.3328e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",LDA,-12.8664583728327,4.7019502430007895e-05,16.0,1.0,-482.4623666976197,-482.4623666976197,E0,hcp,49.2093612029,304.4389102229,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, 311.02672, -12.84814, -12.844321, -12.837413]",LDA,-12.8664583728327,4.7019502430007895e-05,18.0,1.0,-594.5786411687592,-594.5786411687592,E0,hcp,63.6347549869,54.2413661333,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,-12.8664583728327,4.7019502430007895e-05,48.0,1.0,-1.9466685623631946e-06,1.9466685623631946e-06,E0,hcp,-12.8664586233,1.5573e-06,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",LDA,-12.8664583728327,4.7019502430007895e-05,16.0,1.0,-0.00028111750920319306,0.00028111750920319306,E0,hcp,-12.8664945427,1.024e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",LDA,-12.8664583728327,4.7019502430007895e-05,8.0,1.0,-0.02124118194381919,-0.02124118194381919,E0,hcp,-12.863725385,3.509100000000001e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",LDA,-12.8664583728327,4.7019502430007895e-05,12.0,1.0,-0.0009315381422692284,0.0009315381422692284,E0,hcp,-12.866578228800002,5.16e-07,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",LDA,-12.8664583728327,4.7019502430007895e-05,10.0,1.0,-7.800467430508127,-7.800467430508127,E0,hcp,-11.862814477999999,0.7006834368000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",LDA,-12.8664583728327,4.7019502430007895e-05,8.0,1.0,-0.10147263881307936,-0.10147263881307936,E0,hcp,-12.853402438,0.0001291518,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,-12.8664583728327,4.7019502430007895e-05,26.0,1.0,-0.00015557142546913268,-0.00015557142546913268,E0,hcp,-12.866438356300002,1.7569e-06,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",LDA,-12.8664583728327,4.7019502430007895e-05,4.0,1.0,-0.030911527612729497,-0.030911527612729497,E0,hcp,-12.862481154000001,3.6065e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865977, -12.861497, -12.865252, -12.852047, -12.849072, -12.840435, -12.839672]",LDA,-12.8664583728327,4.7019502430007895e-05,14.0,1.0,-0.015973454179429455,-0.015973454179429455,E0,hcp,-12.864403155,0.0015019741000000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,-12.8664583728327,4.7019502430007895e-05,42.0,1.0,-9.286683760130356e-06,9.286683760130356e-06,E0,hcp,-12.8664595677,2.0596e-06,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",LDA,-12.8664583728327,4.7019502430007895e-05,18.0,1.0,-4.257918178213026e-05,-4.257918178213026e-05,E0,hcp,-12.8664528944,2.8158e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",LDA,-12.8664583728327,4.7019502430007895e-05,12.0,1.0,-3280.8927373220486,-3280.8927373220486,E0,hcp,409.268239932,293.1726942489,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",LDA,-12.8664583728327,4.7019502430007895e-05,10.0,1.0,-0.0005038871678744539,-0.0005038871678744539,E0,hcp,-12.866393540399999,6.4142e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,-12.8664583728327,4.7019502430007895e-05,28.0,1.0,-9.010459191548585e-07,-9.010459191548585e-07,E0,hcp,-12.866458256900001,1.7116e-06,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",LDA,3.1043607546149503,0.00384503591548195,4.0,1.0,22.317075602606035,22.317075602606035,dB,hcp,3.7971632912,0.2218638106,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",LDA,3.1043607546149503,0.00384503591548195,20.0,1.0,4879.803057599362,-4879.803057599362,dB,hcp,-148.382330268,23.9516057131,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",LDA,3.1043607546149503,0.00384503591548195,6.0,1.0,771.4104874984274,771.4104874984274,dB,hcp,27.0517251855,7.6883474231,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,3.1043607546149503,0.00384503591548195,48.0,1.0,0.0410920697007659,0.0410920697007659,dB,hcp,3.1056364007,0.0153769213,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,3.1043607546149503,0.00384503591548195,26.0,1.0,0.26820814245163693,-0.26820814245163693,dB,hcp,3.0960346063,0.017351732800000002,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",LDA,3.1043607546149503,0.00384503591548195,22.0,1.0,2358.9050980052098,2358.9050980052098,dB,hcp,76.3332848557,664.5391906013,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,3.1043607546149503,0.00384503591548195,42.0,1.0,0.035852441224681085,-0.035852441224681085,dB,hcp,3.1032477655,0.020328755,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,3.1043607546149503,0.00384503591548195,28.0,1.0,0.21021168932600381,0.21021168932600381,dB,hcp,3.1108864838,0.0169057148,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",LDA,3.1043607546149503,0.00384503591548195,22.0,1.0,0.4604853950623702,0.4604853950623702,dB,hcp,3.1186558825,0.015398925800000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",LDA,3.1043607546149503,0.00384503591548195,6.0,1.0,3.7970097205912783,-3.7970097205912783,dB,hcp,2.986487875,0.035357481600000004,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",LDA,3.1043607546149503,0.00384503591548195,24.0,1.0,2.031616856748744,2.031616856748744,dB,hcp,3.167429471,0.0143565103,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",LDA,3.1043607546149503,0.00384503591548195,14.0,1.0,3.4717162631576217,3.4717162631576217,dB,hcp,3.2121353518,0.0276181079,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",LDA,3.1043607546149503,0.00384503591548195,20.0,1.0,0.10506205440850944,0.10506205440850944,dB,hcp,3.1076222598000003,0.0132436821,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",LDA,3.1043607546149503,0.00384503591548195,16.0,1.0,329.423076357422,329.423076357422,dB,hcp,13.3308414537,175.9795920704,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, 311.02672, -12.84814, -12.844321, -12.837413]",LDA,3.1043607546149503,0.00384503591548195,18.0,1.0,2547.562385590856,-2547.562385590856,dB,hcp,-75.981166143,205.0050852084,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,3.1043607546149503,0.00384503591548195,48.0,1.0,0.0410920697007659,0.0410920697007659,dB,hcp,3.1056364007,0.0153769213,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",LDA,3.1043607546149503,0.00384503591548195,16.0,1.0,0.16191399719177907,0.16191399719177907,dB,hcp,3.1093871492000003,0.0101747902,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",LDA,3.1043607546149503,0.00384503591548195,8.0,1.0,4.787469481245401,-4.787469481245401,dB,hcp,2.9557404309,0.0352704836,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",LDA,3.1043607546149503,0.00384503591548195,12.0,1.0,2.9200807525442953,2.9200807525442953,dB,hcp,3.1950105955000003,0.0051297724000000005,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",LDA,3.1043607546149503,0.00384503591548195,10.0,1.0,2176.7166333755076,2176.7166333755076,dB,hcp,70.67749766029999,192.1936409722,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",LDA,3.1043607546149503,0.00384503591548195,8.0,1.0,260.5036603427239,-260.5036603427239,dB,hcp,-4.9826126414,1.4688032674,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,3.1043607546149503,0.00384503591548195,26.0,1.0,0.26820814245163693,-0.26820814245163693,dB,hcp,3.0960346063,0.017351732800000002,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",LDA,3.1043607546149503,0.00384503591548195,4.0,1.0,15.740820179759046,-15.740820179759046,dB,hcp,2.6157089105,0.0346542066,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865977, -12.861497, -12.865252, -12.852047, -12.849072, -12.840435, -12.839672]",LDA,3.1043607546149503,0.00384503591548195,14.0,1.0,562.0972906884143,562.0972906884143,dB,hcp,20.5538884495,14.1027499735,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,3.1043607546149503,0.00384503591548195,42.0,1.0,0.035852441224681085,-0.035852441224681085,dB,hcp,3.1032477655,0.020328755,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",LDA,3.1043607546149503,0.00384503591548195,18.0,1.0,0.5419909609421852,0.5419909609421852,dB,hcp,3.1211861093,0.0279329356,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",LDA,3.1043607546149503,0.00384503591548195,12.0,1.0,5522.212804554612,-5522.212804554612,dB,hcp,-168.3250463363,553.9814333978,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",LDA,3.1043607546149503,0.00384503591548195,10.0,1.0,0.48489067169699906,-0.48489067169699906,dB,hcp,3.0893079989,0.0634685958,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,3.1043607546149503,0.00384503591548195,28.0,1.0,0.21021168932600381,0.21021168932600381,dB,hcp,3.1108864838,0.0169057148,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",LDA,65.5467163613395,0.000215865888189658,4.0,1.0,0.929128582739651,0.929128582739651,v0,hcp,66.1557296381,0.0044182164,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",LDA,65.5467163613395,0.000215865888189658,20.0,1.0,2.0399102198949075,2.0399102198949075,v0,hcp,66.8838105272,0.1970756768,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",LDA,65.5467163613395,0.000215865888189658,6.0,1.0,0.556444127008358,-0.556444127008358,v0,hcp,65.1819855077,0.14951771960000002,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,65.5467163613395,0.000215865888189658,48.0,1.0,7.189900900799182e-05,-7.189900900799182e-05,v0,hcp,65.5466692339,0.0003244895,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,65.5467163613395,0.000215865888189658,26.0,1.0,0.0013886634007300907,0.0013886634007300907,v0,hcp,65.5476265846,0.0003661324,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",LDA,65.5467163613395,0.000215865888189658,22.0,1.0,3.3741350481196086,-3.3741350481196086,v0,hcp,63.3350816317,2.8051414621,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,65.5467163613395,0.000215865888189658,42.0,1.0,0.0003112030194892509,0.0003112030194892509,v0,hcp,65.5469203447,0.0004289227,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,65.5467163613395,0.000215865888189658,28.0,1.0,0.0011450706933540337,-0.0011450706933540337,v0,hcp,65.5459658051,0.000356701,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",LDA,65.5467163613395,0.000215865888189658,22.0,1.0,0.0005070132539898082,-0.0005070132539898082,v0,hcp,65.5463840308,0.0003250805,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",LDA,65.5467163613395,0.000215865888189658,6.0,1.0,0.05614844752346466,-0.05614844752346466,v0,hcp,65.5099128977,0.0007447205,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",LDA,65.5467163613395,0.000215865888189658,24.0,1.0,0.004848396862441008,-0.004848396862441008,v0,hcp,65.54353839640001,0.0003030306,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",LDA,65.5467163613395,0.000215865888189658,14.0,1.0,0.002593374855161213,0.002593374855161213,v0,hcp,65.5484162334,0.0005830361,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",LDA,65.5467163613395,0.000215865888189658,20.0,1.0,0.0011169739708254004,0.0011169739708254004,v0,hcp,65.54744850109999,0.0002795504,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",LDA,65.5467163613395,0.000215865888189658,16.0,1.0,2.3105576209043845,-2.3105576209043845,v0,hcp,64.0322217112,2.2434942693,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, 311.02672, -12.84814, -12.844321, -12.837413]",LDA,65.5467163613395,0.000215865888189658,18.0,1.0,2.601459917321253,2.601459917321253,v0,hcp,67.2518879146,2.0304634442,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",LDA,65.5467163613395,0.000215865888189658,48.0,1.0,7.189900900799182e-05,-7.189900900799182e-05,v0,hcp,65.5466692339,0.0003244895,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",LDA,65.5467163613395,0.000215865888189658,16.0,1.0,0.001363358853206013,0.001363358853206013,v0,hcp,65.5476099983,0.0002148155,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",LDA,65.5467163613395,0.000215865888189658,8.0,1.0,0.001828406100296955,0.001828406100296955,v0,hcp,65.5479148215,0.0007445525000000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",LDA,65.5467163613395,0.000215865888189658,12.0,1.0,0.006568684748076714,0.006568684748076714,v0,hcp,65.5510219185,0.000108313,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",LDA,65.5467163613395,0.000215865888189658,10.0,1.0,2.1517751074886706,-2.1517751074886706,v0,hcp,64.1362984349,2.0499925399000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",LDA,65.5467163613395,0.000215865888189658,8.0,1.0,0.38203200505125573,0.38203200505125573,v0,hcp,65.79712579609999,0.0308855089,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84373845, -12.8520924, -12.85846482, -12.86292859, -12.86556445, -12.86644182, -12.86563228, -12.8632039, -12.85922203, -12.85375196, -12.84685258]",LDA,65.5467163613395,0.000215865888189658,26.0,1.0,0.0013886634007300907,0.0013886634007300907,v0,hcp,65.5476265846,0.0003661324,"[62.2618040974, 62.9171915089, 63.5725789205, 64.227966332, 64.8833537436, 65.5387411551, 66.1941285667, 66.8495159782, 67.5049033898, 68.1602908013, 68.8156782129]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",LDA,65.5467163613395,0.000215865888189658,4.0,1.0,0.8055463528481475,0.8055463528481475,v0,hcp,66.0747255444,0.0007031959,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865977, -12.861497, -12.865252, -12.852047, -12.849072, -12.840435, -12.839672]",LDA,65.5467163613395,0.000215865888189658,14.0,1.0,1.0576167832999024,-1.0576167832999024,v0,hcp,64.8534832882,0.25615671230000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84369686, -12.85206471, -12.85845041, -12.86292933, -12.86557538, -12.86646353, -12.86566332, -12.86324172, -12.8592692, -12.85380699, -12.84691525]",LDA,65.5467163613395,0.000215865888189658,42.0,1.0,0.0003112030194892509,0.0003112030194892509,v0,hcp,65.5469203447,0.0004289227,"[62.2575093212, 62.9128515246, 63.5681937279, 64.2235359313, 64.8788781347, 65.5342203381, 66.1895625415, 66.8449047448, 67.5002469482, 68.1555891516, 68.810931355]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",LDA,65.5467163613395,0.000215865888189658,18.0,1.0,0.0003396356856098357,-0.0003396356856098357,v0,hcp,65.5464937413,0.0005896462,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",LDA,65.5467163613395,0.000215865888189658,12.0,1.0,3.628686725889707,3.628686725889707,v0,hcp,67.92520135720001,2.0778882811000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",LDA,65.5467163613395,0.000215865888189658,10.0,1.0,0.001553553550864371,-0.001553553550864371,v0,hcp,65.545698058,0.0013397367999999998,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84376964, -12.85212384, -12.85849197, -12.86295584, -12.86558838, -12.86646179, -12.86564804, -12.86321696, -12.85923482, -12.85376222, -12.84686141]",LDA,65.5467163613395,0.000215865888189658,28.0,1.0,0.0011450706933540337,-0.0011450706933540337,v0,hcp,65.5459658051,0.000356701,"[62.2614278208, 62.9168112715, 63.5721947223, 64.227578173, 64.8829616238, 65.5383450745, 66.1937285253, 66.849111976, 67.5044954268, 68.1598788775, 68.8152623282]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,63.690061064099204,0.000160810339079997,68.0,2.0,0.19661321799201598,-0.19661321799201598,B,bcc,63.5648379855,0.0615225998,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,63.690061064099204,0.000160810339079997,4.0,2.0,34.37748893059641,34.37748893059641,B,bcc,85.5851047563,4.0439148369,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,63.690061064099204,0.000160810339079997,64.0,2.0,0.3782946063699328,-0.3782946063699328,B,bcc,63.4491249983,0.059179534400000004,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,63.690061064099204,0.000160810339079997,62.0,2.0,0.20656888390606568,-0.20656888390606568,B,bcc,63.5584972158,0.0628226624,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,63.690061064099204,0.000160810339079997,66.0,2.0,0.2250299085990286,-0.2250299085990286,B,bcc,63.546739377899996,0.0598405771,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,63.690061064099204,0.000160810339079997,68.0,2.0,0.19661321799201598,-0.19661321799201598,B,bcc,63.5648379855,0.0615225998,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,63.690061064099204,0.000160810339079997,4.0,2.0,34.37748893059641,34.37748893059641,B,bcc,85.5851047563,4.0439148369,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,63.690061064099204,0.000160810339079997,64.0,2.0,0.3782946063699328,-0.3782946063699328,B,bcc,63.4491249983,0.059179534400000004,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,63.690061064099204,0.000160810339079997,62.0,2.0,0.20656888390606568,-0.20656888390606568,B,bcc,63.5584972158,0.0628226624,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,63.690061064099204,0.000160810339079997,66.0,2.0,0.2250299085990286,-0.2250299085990286,B,bcc,63.546739377899996,0.0598405771,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,-1.02360434858951,2.1473026435270198e-05,68.0,1.0,-0.0004427306797032875,0.0004427306797032875,E0,bcc,-1.0236088804,3.7929e-06,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,-1.02360434858951,2.1473026435270198e-05,4.0,1.0,-7.88889354776208,7.88889354776208,E0,bcc,-1.104355406,6.27665e-05,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,-1.02360434858951,2.1473026435270198e-05,64.0,1.0,-0.0006170928756621281,-0.0006170928756621281,E0,bcc,-1.023598032,3.6698e-06,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,-1.02360434858951,2.1473026435270198e-05,62.0,1.0,-0.0004496669534673837,0.0004496669534673837,E0,bcc,-1.0236089514,3.897e-06,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,-1.02360434858951,2.1473026435270198e-05,66.0,1.0,-0.0004165954859241907,-0.0004165954859241907,E0,bcc,-1.0236000843000002,3.6839e-06,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,-1.02360434858951,2.1473026435270198e-05,68.0,1.0,-0.0004427306797032875,0.0004427306797032875,E0,bcc,-1.0236088804,3.7929e-06,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,-1.02360434858951,2.1473026435270198e-05,4.0,1.0,-7.88889354776208,7.88889354776208,E0,bcc,-1.104355406,6.27665e-05,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,-1.02360434858951,2.1473026435270198e-05,64.0,1.0,-0.0006170928756621281,-0.0006170928756621281,E0,bcc,-1.023598032,3.6698e-06,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,-1.02360434858951,2.1473026435270198e-05,62.0,1.0,-0.0004496669534673837,0.0004496669534673837,E0,bcc,-1.0236089514,3.897e-06,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,-1.02360434858951,2.1473026435270198e-05,66.0,1.0,-0.0004165954859241907,-0.0004165954859241907,E0,bcc,-1.0236000843000002,3.6839e-06,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,5.22664602961802,0.189693771735286,68.0,1.0,1.5489479299576103,1.5489479299576103,dB,bcc,5.3076040551,0.1014946825,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,5.22664602961802,0.189693771735286,4.0,1.0,107.1516642103142,-107.1516642103142,dB,bcc,-0.3737921735,1.154802454,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,5.22664602961802,0.189693771735286,64.0,1.0,2.9053448965450244,2.9053448965450244,dB,bcc,5.3784981233,0.0985649834,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,5.22664602961802,0.189693771735286,62.0,1.0,0.9908354609918865,0.9908354609918865,dB,bcc,5.2784334918999996,0.1045198318,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,5.22664602961802,0.189693771735286,66.0,1.0,0.7072195356738462,0.7072195356738462,dB,bcc,5.2636098914,0.098558169,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,5.22664602961802,0.189693771735286,68.0,1.0,1.5489479299576103,1.5489479299576103,dB,bcc,5.3076040551,0.1014946825,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,5.22664602961802,0.189693771735286,4.0,1.0,107.1516642103142,-107.1516642103142,dB,bcc,-0.3737921735,1.154802454,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,5.22664602961802,0.189693771735286,64.0,1.0,2.9053448965450244,2.9053448965450244,dB,bcc,5.3784981233,0.0985649834,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,5.22664602961802,0.189693771735286,62.0,1.0,0.9908354609918865,0.9908354609918865,dB,bcc,5.2784334918999996,0.1045198318,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,5.22664602961802,0.189693771735286,66.0,1.0,0.7072195356738462,0.7072195356738462,dB,bcc,5.2636098914,0.098558169,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,15.439794504456,0.0010971189890168801,68.0,1.0,0.009855691120511673,-0.009855691120511673,v0,bcc,15.438272805999999,0.0005017965,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,15.439794504456,0.0010971189890168801,4.0,1.0,1.528428807053697,-1.528428807053697,v0,bcc,15.2038082375,0.011092328,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,15.439794504456,0.0010971189890168801,64.0,1.0,0.011731279554761274,-0.011731279554761274,v0,bcc,15.437983219000001,0.0004878126,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,15.439794504456,0.0010971189890168801,62.0,1.0,0.010618816562150376,-0.010618816562150376,v0,bcc,15.438154980999999,0.0005173219,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,15.439794504456,0.0010971189890168801,66.0,1.0,0.007085316165872211,-0.007085316165872211,v0,bcc,15.438700546199998,0.0004871664,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.014687, -1.01799059, -1.02044589, -1.02218468, -1.02322389, -1.02360569, -1.02337138, -1.02255806, -1.02120025, -1.01933191, -1.01698295]",LDA,15.439794504456,0.0010971189890168801,68.0,1.0,0.009855691120511673,-0.009855691120511673,v0,bcc,15.438272805999999,0.0005017965,"[14.6506021395, 14.8048190041, 14.959035868800001, 15.1132527334, 15.267469598, 15.4216864626, 15.5759033273, 15.7301201919, 15.8843370565, 16.0385539212, 16.1927707858]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Zn,"[-1.07322131, -1.07969681, -1.08530417, -1.09053597, -1.09483968, -1.09829636, -1.10092958, -1.10272717, -1.10386787, -1.10429233, -1.10408888]",LDA,15.439794504456,0.0010971189890168801,4.0,1.0,1.528428807053697,-1.528428807053697,v0,bcc,15.2038082375,0.011092328,"[13.8832115803, 14.0293506496, 14.1754897189, 14.3216287881, 14.4677678574, 14.6139069267, 14.7600459959, 14.9061850652, 15.0523241345, 15.1984632037, 15.344602273]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01476412, -1.01804797, -1.02048527, -1.02220753, -1.02323001, -1.02359739, -1.02334908, -1.02252247, -1.02115448, -1.01928193, -1.0169281]",LDA,15.439794504456,0.0010971189890168801,64.0,1.0,0.011731279554761274,-0.011731279554761274,v0,bcc,15.437983219000001,0.0004878126,"[14.6537711299, 14.8080213523, 14.9622715747, 15.1165217971, 15.2707720196, 15.425022242, 15.5792724644, 15.7335226868, 15.8877729092, 16.0420231317, 16.1962733541]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0147714, -1.01805615, -1.0204931799999999, -1.02221579, -1.02323869, -1.02360653, -1.02336002, -1.02253312, -1.02116232, -1.01928045, -1.01691971]",LDA,15.439794504456,0.0010971189890168801,62.0,1.0,0.010618816562150376,-0.010618816562150376,v0,bcc,15.438154980999999,0.0005173219,"[14.6537982887, 14.808048797, 14.9622993053, 15.1165498136, 15.2708003219, 15.4250508302, 15.5793013385, 15.7335518468, 15.8878023551, 16.0420528634, 16.1963033717]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",LDA,15.439794504456,0.0010971189890168801,66.0,1.0,0.007085316165872211,-0.007085316165872211,v0,bcc,15.438700546199998,0.0004871664,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,63.690061064099204,0.000160810339079997,68.0,2.0,8.690717862917591,8.690717862917591,B,fcc,69.2251845779,0.025851280600000002,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,63.690061064099204,0.000160810339079997,68.0,2.0,8.690717862917591,8.690717862917591,B,fcc,69.2251845779,0.025851280600000002,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,-1.02360434858951,2.1473026435270198e-05,68.0,1.0,-5.989035997645444,5.989035997645444,E0,fcc,-1.0849083815,1.6041e-06,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,-1.02360434858951,2.1473026435270198e-05,68.0,1.0,-5.989035997645444,5.989035997645444,E0,fcc,-1.0849083815,1.6041e-06,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,5.22664602961802,0.189693771735286,68.0,1.0,1.837136078048091,1.837136078048091,dB,fcc,5.3226666295000005,0.040259854500000004,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,5.22664602961802,0.189693771735286,68.0,1.0,1.837136078048091,1.837136078048091,dB,fcc,5.3226666295000005,0.040259854500000004,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,15.439794504456,0.0010971189890168801,68.0,1.0,1.396204192314756,-1.396204192314756,v0,fcc,15.224223446300002,0.0001969679,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07565195, -1.07909777, -1.08169895, -1.08350395, -1.08455985, -1.08491099, -1.0846023, -1.08367411, -1.08216434, -1.08011152, -1.07755023]",LDA,15.439794504456,0.0010971189890168801,68.0,1.0,1.396204192314756,-1.396204192314756,v0,fcc,15.224223446300002,0.0001969679,"[14.4597107578, 14.6119182394, 14.7641257211, 14.9163332028, 15.0685406844, 15.2207481661, 15.3729556477, 15.5251631294, 15.6773706111, 15.8295780927, 15.9817855744]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,74.01740250241409,0.0103739947794231,36.0,1.0,0.07394853876982425,0.07394853876982425,B,hcp,74.07213729,0.0200054053,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06385903407563678,0.06385903407563678,B,hcp,74.0646693007,0.0199455967,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,74.01740250241409,0.0103739947794231,52.0,1.0,0.03995226309777786,0.03995226309777786,B,hcp,74.04697412979999,0.0208637045,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06965604431233005,0.06965604431233005,B,hcp,74.0689600971,0.0199052877,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,74.01740250241409,0.0103739947794231,38.0,1.0,0.1773087246362568,0.1773087246362568,B,hcp,74.1486418148,0.06757231080000001,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,74.01740250241409,0.0103739947794231,54.0,1.0,0.014495494063804511,0.014495494063804511,B,hcp,74.0281316906,0.018838363400000002,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,74.01740250241409,0.0103739947794231,28.0,1.0,0.014174402045176972,-0.014174402045176972,B,hcp,74.0069109782,0.028005887400000002,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.11009709788619984,0.11009709788619984,B,hcp,74.09889351449999,0.0184185938,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.30817810254618555,0.30817810254618555,B,hcp,74.245507929,0.026921184900000002,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,74.01740250241409,0.0103739947794231,50.0,1.0,0.08859003662521812,0.08859003662521812,B,hcp,74.08297454640001,0.0288606037,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.08833768083631895,0.08833768083631895,B,hcp,74.0827877592,0.0218887031,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,74.01740250241409,0.0103739947794231,48.0,1.0,0.06704058182033079,0.06704058182033079,B,hcp,74.0670241997,0.0175111822,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.2957070645363185,0.2957070645363185,B,hcp,74.2362771906,0.0273074146,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,74.01740250241409,0.0103739947794231,36.0,1.0,0.07394853876982425,0.07394853876982425,B,hcp,74.07213729,0.0200054053,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06385903407563678,0.06385903407563678,B,hcp,74.0646693007,0.0199455967,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,74.01740250241409,0.0103739947794231,52.0,1.0,0.03995226309777786,0.03995226309777786,B,hcp,74.04697412979999,0.0208637045,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,74.01740250241409,0.0103739947794231,34.0,1.0,0.06965604431233005,0.06965604431233005,B,hcp,74.0689600971,0.0199052877,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,74.01740250241409,0.0103739947794231,28.0,1.0,0.014174402045176972,-0.014174402045176972,B,hcp,74.0069109782,0.028005887400000002,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.11009709788619984,0.11009709788619984,B,hcp,74.09889351449999,0.0184185938,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.30817810254618555,0.30817810254618555,B,hcp,74.245507929,0.026921184900000002,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,74.01740250241409,0.0103739947794231,50.0,1.0,0.08859003662521812,0.08859003662521812,B,hcp,74.08297454640001,0.0288606037,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,74.01740250241409,0.0103739947794231,38.0,1.0,0.1773087246362568,0.1773087246362568,B,hcp,74.1486418148,0.06757231080000001,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,74.01740250241409,0.0103739947794231,54.0,1.0,0.014495494063804511,0.014495494063804511,B,hcp,74.0281316906,0.018838363400000002,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,74.01740250241409,0.0103739947794231,40.0,1.0,0.08833768083631895,0.08833768083631895,B,hcp,74.0827877592,0.0218887031,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,74.01740250241409,0.0103739947794231,48.0,1.0,0.06704058182033079,0.06704058182033079,B,hcp,74.0670241997,0.0175111822,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,74.01740250241409,0.0103739947794231,22.0,1.0,0.2957070645363185,0.2957070645363185,B,hcp,74.2362771906,0.0273074146,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,-2.21437331272118,2.02603372774566e-05,36.0,1.0,-0.0002993207505479484,0.0002993207505479484,E0,hcp,-2.2143799408,2.508e-06,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,-0.002548916248932631,-0.002548916248932631,E0,hcp,-2.2143168702000002,2.4916e-06,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,-2.21437331272118,2.02603372774566e-05,52.0,1.0,-0.0032336291613086193,-0.0032336291613086193,E0,hcp,-2.2143017081,2.6108e-06,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,-0.0023429121405126657,-0.0023429121405126657,E0,hcp,-2.2143214319,2.4835e-06,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,-2.21437331272118,2.02603372774566e-05,38.0,1.0,-0.005390993492128586,-0.005390993492128586,E0,hcp,-2.214253936,8.471699999999999e-06,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,-2.21437331272118,2.02603372774566e-05,54.0,1.0,-0.00028812570957563336,0.00028812570957563336,E0,hcp,-2.2143796929,2.3602000000000003e-06,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,-2.21437331272118,2.02603372774566e-05,28.0,1.0,-0.012887746593606624,-0.012887746593606624,E0,hcp,-2.2140879299000003,3.4895e-06,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,-0.0020552641652007812,-0.0020552641652007812,E0,hcp,-2.2143278015,2.307e-06,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,-0.017503205938844933,-0.017503205938844933,E0,hcp,-2.2139857264,3.3338e-06,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,-2.21437331272118,2.02603372774566e-05,50.0,1.0,-0.002017854032277426,-0.002017854032277426,E0,hcp,-2.2143286299,3.6123e-06,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,-0.0019875926487732238,-0.0019875926487732238,E0,hcp,-2.2143293,2.742e-06,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,-2.21437331272118,2.02603372774566e-05,48.0,1.0,-0.0007439747726887349,0.0007439747726887349,E0,hcp,-2.2143897871,2.187e-06,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,-0.017485878237232345,-0.017485878237232345,E0,hcp,-2.2139861101,3.3819e-06,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,-2.21437331272118,2.02603372774566e-05,36.0,1.0,-0.0002993207505479484,0.0002993207505479484,E0,hcp,-2.2143799408,2.508e-06,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,-0.002548916248932631,-0.002548916248932631,E0,hcp,-2.2143168702000002,2.4916e-06,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,-2.21437331272118,2.02603372774566e-05,52.0,1.0,-0.0032336291613086193,-0.0032336291613086193,E0,hcp,-2.2143017081,2.6108e-06,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,-2.21437331272118,2.02603372774566e-05,34.0,1.0,-0.0023429121405126657,-0.0023429121405126657,E0,hcp,-2.2143214319,2.4835e-06,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,-2.21437331272118,2.02603372774566e-05,28.0,1.0,-0.012887746593606624,-0.012887746593606624,E0,hcp,-2.2140879299000003,3.4895e-06,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,-0.0020552641652007812,-0.0020552641652007812,E0,hcp,-2.2143278015,2.307e-06,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,-0.017503205938844933,-0.017503205938844933,E0,hcp,-2.2139857264,3.3338e-06,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,-2.21437331272118,2.02603372774566e-05,50.0,1.0,-0.002017854032277426,-0.002017854032277426,E0,hcp,-2.2143286299,3.6123e-06,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,-2.21437331272118,2.02603372774566e-05,38.0,1.0,-0.005390993492128586,-0.005390993492128586,E0,hcp,-2.214253936,8.471699999999999e-06,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,-2.21437331272118,2.02603372774566e-05,54.0,1.0,-0.00028812570957563336,0.00028812570957563336,E0,hcp,-2.2143796929,2.3602000000000003e-06,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,-2.21437331272118,2.02603372774566e-05,40.0,1.0,-0.0019875926487732238,-0.0019875926487732238,E0,hcp,-2.2143293,2.742e-06,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,-2.21437331272118,2.02603372774566e-05,48.0,1.0,-0.0007439747726887349,0.0007439747726887349,E0,hcp,-2.2143897871,2.187e-06,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,-2.21437331272118,2.02603372774566e-05,22.0,1.0,-0.017485878237232345,-0.017485878237232345,E0,hcp,-2.2139861101,3.3819e-06,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,5.34593414647691,0.012777232434612,36.0,1.0,0.7606700944845829,0.7606700944845829,dB,hcp,5.3865990688,0.029339575000000007,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.5205168949084061,0.5205168949084061,dB,hcp,5.3737606369,0.0291129144,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,5.34593414647691,0.012777232434612,52.0,1.0,0.28152743581789624,0.28152743581789624,dB,hcp,5.3609844178,0.0305174808,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.7720503880559201,0.7720503880559201,dB,hcp,5.387207451799999,0.0290052434,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,5.34593414647691,0.012777232434612,38.0,1.0,1.5472325698478866,-1.5472325698478866,dB,hcp,5.2632201122,0.0989522235,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,5.34593414647691,0.012777232434612,54.0,1.0,0.24211122076054037,0.24211122076054037,dB,hcp,5.3588772529,0.027596453200000003,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,5.34593414647691,0.012777232434612,28.0,1.0,1.5472516730794657,1.5472516730794657,dB,hcp,5.428649202000001,0.040804021,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.6145440146273045,0.6145440146273045,dB,hcp,5.3787872648000015,0.026969184700000003,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.2490622423228948,1.2490622423228948,dB,hcp,5.4127081914,0.0389052693,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,5.34593414647691,0.012777232434612,50.0,1.0,0.939200953494714,-0.939200953494714,dB,hcp,5.295725082,0.042195545800000005,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.3137908598096932,0.3137908598096932,dB,hcp,5.3627091992,0.0320629324,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,5.34593414647691,0.012777232434612,48.0,1.0,0.16190551708898077,0.16190551708898077,dB,hcp,5.3545895088,0.025534026,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.3310356669840933,1.3310356669840933,dB,hcp,5.4170904367,0.0394729196,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,5.34593414647691,0.012777232434612,36.0,1.0,0.7606700944845829,0.7606700944845829,dB,hcp,5.3865990688,0.029339575000000007,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.5205168949084061,0.5205168949084061,dB,hcp,5.3737606369,0.0291129144,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,5.34593414647691,0.012777232434612,52.0,1.0,0.28152743581789624,0.28152743581789624,dB,hcp,5.3609844178,0.0305174808,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,5.34593414647691,0.012777232434612,34.0,1.0,0.7720503880559201,0.7720503880559201,dB,hcp,5.387207451799999,0.0290052434,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,5.34593414647691,0.012777232434612,28.0,1.0,1.5472516730794657,1.5472516730794657,dB,hcp,5.428649202000001,0.040804021,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.6145440146273045,0.6145440146273045,dB,hcp,5.3787872648000015,0.026969184700000003,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.2490622423228948,1.2490622423228948,dB,hcp,5.4127081914,0.0389052693,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,5.34593414647691,0.012777232434612,50.0,1.0,0.939200953494714,-0.939200953494714,dB,hcp,5.295725082,0.042195545800000005,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,5.34593414647691,0.012777232434612,38.0,1.0,1.5472325698478866,-1.5472325698478866,dB,hcp,5.2632201122,0.0989522235,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,5.34593414647691,0.012777232434612,54.0,1.0,0.24211122076054037,0.24211122076054037,dB,hcp,5.3588772529,0.027596453200000003,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,5.34593414647691,0.012777232434612,40.0,1.0,0.3137908598096932,0.3137908598096932,dB,hcp,5.3627091992,0.0320629324,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,5.34593414647691,0.012777232434612,48.0,1.0,0.16190551708898077,0.16190551708898077,dB,hcp,5.3545895088,0.025534026,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,5.34593414647691,0.012777232434612,22.0,1.0,1.3310356669840933,1.3310356669840933,dB,hcp,5.4170904367,0.0394729196,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,30.6152778844655,0.00229286231642672,36.0,1.0,0.0808064197844657,-0.0808064197844657,v0,hcp,30.590538774499997,0.0002886715,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.0943122756372162,-0.0943122756372162,v0,hcp,30.586403919200002,0.0002862499,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,30.6152778844655,0.00229286231642672,52.0,1.0,0.05102993258613031,-0.05102993258613031,v0,hcp,30.5996549288,0.000300254,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.09947066977611957,-0.09947066977611957,v0,hcp,30.5848246625,0.0002851283,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,30.6152778844655,0.00229286231642672,38.0,1.0,0.029872219354048418,-0.029872219354048418,v0,hcp,30.6061324215,0.0009740555,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,30.6152778844655,0.00229286231642672,54.0,1.0,0.019286055112025108,-0.019286055112025108,v0,hcp,30.6093734051,0.0002716329,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,30.6152778844655,0.00229286231642672,28.0,1.0,0.16906937007344858,-0.16906937007344858,v0,hcp,30.563516826999997,0.0004007903,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08218933684173887,-0.08218933684173887,v0,hcp,30.5901153906,0.0002653042,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.42645711516388024,-0.42645711516388024,v0,hcp,30.484716853600002,0.0003809276,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,30.6152778844655,0.00229286231642672,50.0,1.0,0.021408838065206444,-0.021408838065206444,v0,hcp,30.6087235092,0.0004152755,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08081172791854117,-0.08081172791854117,v0,hcp,30.5905371494,0.0003154275,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,30.6152778844655,0.00229286231642672,48.0,1.0,0.03982080911206245,-0.03982080911206245,v0,hcp,30.6030866331,0.00025117090000000003,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.42618508660247173,-0.42618508660247173,v0,hcp,30.484800135900002,0.0003864952,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19469151, -2.202062, -2.20761511, -2.21144924, -2.21367045, -2.21438198, -2.2136809299999998, -2.21164673, -2.20837084, -2.20391863, -2.19838379]",LDA,30.6152778844655,0.00229286231642672,36.0,1.0,0.0808064197844657,-0.0808064197844657,v0,hcp,30.590538774499997,0.0002886715,"[29.0630635568, 29.3689905416, 29.6749175264, 29.9808445112, 30.286771496, 30.5926984808, 30.8986254656, 31.2045524504, 31.5104794352, 31.81640642, 32.1223334048]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19449002, -2.20188844, -2.20747172, -2.2113308, -2.21358009, -2.21432095, -2.21364176, -2.21163398, -2.20838372, -2.20395273, -2.19843939]",LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.0943122756372162,-0.0943122756372162,v0,hcp,30.586403919200002,0.0002862499,"[29.0537358382, 29.3595646365, 29.6653934348, 29.9712222331, 30.2770510314, 30.5828798297, 30.888708628, 31.1945374263, 31.5003662246, 31.8061950229, 32.1120238212]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452685, -2.20191488, -2.20748567, -2.21133181, -2.21357848, -2.21430421, -2.21361521, -2.21160327, -2.20834064, -2.20389904, -2.19837682]",LDA,30.6152778844655,0.00229286231642672,52.0,1.0,0.05102993258613031,-0.05102993258613031,v0,hcp,30.5996549288,0.000300254,"[29.0682181974, 29.3741994416, 29.6801806858, 29.98616193, 30.2921431742, 30.5981244184, 30.9041056625, 31.2100869067, 31.5160681509, 31.8220493951, 32.1280306393]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1944446, -2.20185874, -2.20744566, -2.21131726, -2.21358114, -2.21432452, -2.21365304, -2.2116535, -2.20841056, -2.20398904, -2.19848246]",LDA,30.6152778844655,0.00229286231642672,34.0,1.0,0.09947066977611957,-0.09947066977611957,v0,hcp,30.5848246625,0.0002851283,"[29.0506098567, 29.35640575, 29.6622016432, 29.9679975364, 30.2737934296, 30.5795893229, 30.8853852161, 31.1911811093, 31.4969770026, 31.8027728958, 32.108568789]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19421226, -2.20162074, -2.20721119, -2.21107807, -2.21334811, -2.21409516, -2.21342175, -2.21143073, -2.20819401, -2.20378684, -2.1982983]",LDA,30.6152778844655,0.00229286231642672,28.0,1.0,0.16906937007344858,-0.16906937007344858,v0,hcp,30.563516826999997,0.0004007903,"[29.0297642687, 29.3353407347, 29.6409172006, 29.9464936666, 30.2520701326, 30.5576465986, 30.8632230646, 31.1687995306, 31.4743759966, 31.7799524625, 32.0855289285]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19459525, -2.20197636, -2.20753707, -2.21138299, -2.21361419, -2.21432908, -2.21362846, -2.21160888, -2.2083375, -2.20389194, -2.19835315]",LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08218933684173887,-0.08218933684173887,v0,hcp,30.5901153906,0.0002653042,"[29.0612066603, 29.3671140988, 29.6730215373, 29.9789289759, 30.2848364144, 30.5907438529, 30.8966512915, 31.20255873, 31.5084661685, 31.814373607, 32.1202810456]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.1939671, -2.2014048, -2.20702531, -2.21093195, -2.21321418, -2.21398842, -2.21334688, -2.21137318, -2.20814956, -2.20376909, -2.19828879]",LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.42645711516388024,-0.42645711516388024,v0,hcp,30.484716853600002,0.0003809276,"[28.9499617866, 29.2546982264, 29.5594346663, 29.8641711062, 30.168907546, 30.4736439859, 30.7783804257, 31.0831168656, 31.3878533055, 31.6925897453, 31.9973261852]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19454633, -2.20193499, -2.2075012, -2.21135341, -2.21359838, -2.21433003, -2.2136496, -2.21163836, -2.20835867, -2.20391484, -2.19839027]",LDA,30.6152778844655,0.00229286231642672,50.0,1.0,0.021408838065206444,-0.021408838065206444,v0,hcp,30.6087235092,0.0004152755,"[29.0763059107, 29.3823722888, 29.6884386668, 29.9945050448, 30.3005714228, 30.6066378008, 30.9127041788, 31.2187705568, 31.5248369348, 31.8309033128, 32.1369696908]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19454554, -2.20189918, -2.20744135, -2.21130561, -2.21355921, -2.21426204, -2.2135588, -2.21152786, -2.2082394499999998, -2.20377979, -2.19824688]",LDA,30.6152778844655,0.00229286231642672,38.0,1.0,0.029872219354048418,-0.029872219354048418,v0,hcp,30.6061324215,0.0009740555,"[29.0763187073, 29.38238522, 29.6884517327, 29.9945182454, 30.3005847581, 30.6066512708, 30.9127177835, 31.2187842962, 31.524850809, 31.8309173217, 32.1369838344]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19463845, -2.20202611, -2.2075795400000002, -2.21142656, -2.21365707, -2.21438515, -2.21368779, -2.21167022, -2.20839784, -2.20395265, -2.19842447]",LDA,30.6152778844655,0.00229286231642672,54.0,1.0,0.019286055112025108,-0.019286055112025108,v0,hcp,30.6093734051,0.0002716329,"[29.0787735026, 29.3848658552, 29.6909582079, 29.9970505606, 30.3031429132, 30.6092352659, 30.9153276185, 31.2214199712, 31.5275123239, 31.8336046765, 32.1396970292]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19460845, -2.20198872, -2.20753912, -2.21138445, -2.21361492, -2.2143324, -2.21363665, -2.2116077, -2.20833625, -2.20388664, -2.19835564]",LDA,30.6152778844655,0.00229286231642672,40.0,1.0,0.08081172791854117,-0.08081172791854117,v0,hcp,30.5905371494,0.0003154275,"[29.0617008474, 29.3676134879, 29.6735261284, 29.9794387689, 30.2853514094, 30.5912640499, 30.8971766904, 31.2030893309, 31.5090019714, 31.8149146119, 32.1208272524]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19452355, -2.2019349, -2.20751762, -2.21139323, -2.21364546, -2.21439475, -2.21371879, -2.21171626, -2.20846766, -2.20404229, -2.19852384]",LDA,30.6152778844655,0.00229286231642672,48.0,1.0,0.03982080911206245,-0.03982080911206245,v0,hcp,30.6030866331,0.00025117090000000003,"[29.0683521276, 29.374334781599998, 29.6803174355, 29.9863000895, 30.2922827435, 30.5982653975, 30.9042480514, 31.2102307054, 31.5162133594, 31.8221960134, 32.1281786673]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1939723, -2.20140946, -2.20702974, -2.2109302299999998, -2.21321775, -2.21398843, -2.21334923, -2.21136955, -2.20815173, -2.20376545, -2.19829035]",LDA,30.6152778844655,0.00229286231642672,22.0,1.0,0.42618508660247173,-0.42618508660247173,v0,hcp,30.484800135900002,0.0003864952,"[28.9501876591, 29.2549264766, 29.559665294, 29.8644041115, 30.169142929, 30.4738817464, 30.7786205639, 31.0833593814, 31.3880981988, 31.6928370163, 31.9975758338]" +0,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +2,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +3,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +4,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +5,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +6,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +7,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +8,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +9,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +10,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +11,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +12,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +13,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +14,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +15,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +16,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +17,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +18,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +19,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +20,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +21,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +22,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +23,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +24,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +25,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +26,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +27,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +28,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +29,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +30,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +31,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +32,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +33,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +34,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +35,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +36,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +37,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +38,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +39,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +40,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +41,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +42,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +43,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +44,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +45,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +46,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +47,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +48,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +49,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +50,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +51,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +52,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +53,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +54,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +55,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +56,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +57,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +58,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +59,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +60,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +61,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +62,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +63,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +64,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +65,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +66,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +67,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +68,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +69,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +70,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +71,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +72,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +73,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +74,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +75,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +76,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +77,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +78,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +79,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +80,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +81,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +82,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +83,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +84,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +85,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +86,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +87,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +88,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +89,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +90,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +91,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +92,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +93,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +94,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +95,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +96,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +97,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +98,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +99,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +100,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +101,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +102,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +103,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +104,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +105,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +106,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +107,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +108,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +109,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +110,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +111,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +112,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +113,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +114,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +115,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +116,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +117,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +118,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +119,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +120,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +121,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +122,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +123,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +124,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +125,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +126,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +127,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +128,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +129,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +130,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +131,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +132,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +133,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +134,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +135,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +136,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +137,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +138,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +139,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +140,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +141,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +142,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +143,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +144,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +145,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +146,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +147,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +148,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +149,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +150,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +151,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +152,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +153,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +154,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +155,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +156,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +157,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +158,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +159,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +160,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +161,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +162,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +163,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +164,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +165,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +166,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +167,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +168,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +169,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +170,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +171,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +172,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +173,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +174,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +175,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +176,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +177,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +178,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +179,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +180,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +181,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +182,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +183,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +184,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +185,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +186,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +187,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +188,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +189,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +190,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +191,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +192,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +193,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +194,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +195,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +196,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +197,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +198,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +199,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +200,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +201,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +202,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +203,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +204,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +205,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +206,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +207,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +208,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +209,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +210,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +211,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +212,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +213,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +214,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +215,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +216,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +217,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +218,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +219,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +220,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +221,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +222,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +223,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +224,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +225,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +226,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +227,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +228,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +229,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +230,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +231,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +232,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +233,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +234,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +235,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +236,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +237,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +238,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +239,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +240,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +241,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +242,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +243,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +244,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +245,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +246,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +247,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +248,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +249,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +250,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +251,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +252,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +253,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +254,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +255,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +256,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +257,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +258,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +259,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +260,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +261,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +262,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +263,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +264,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +265,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +266,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +267,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +268,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +269,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +270,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +271,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +272,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +273,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +274,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +275,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +276,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +277,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +278,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +279,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +280,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +281,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +282,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +283,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +284,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +285,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +286,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +287,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +288,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +289,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +290,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +291,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +292,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +293,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +294,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +295,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +296,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +297,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +298,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +299,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +300,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +301,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +302,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +303,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +304,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +305,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +306,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +307,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +308,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +309,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +310,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +311,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +312,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +313,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +314,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +315,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +316,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +317,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +318,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +319,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +320,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +321,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +322,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +323,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +324,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +325,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +326,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +327,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +328,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +329,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +330,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +331,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +332,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +333,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +334,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +335,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +336,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +337,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +338,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +339,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +340,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +341,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +342,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +343,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +344,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +345,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +346,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +347,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +348,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +349,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +350,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +351,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +352,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +353,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +354,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +355,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +356,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +357,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +358,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +359,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +360,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +361,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +362,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +363,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +364,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +365,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +366,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +367,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +368,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +369,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +370,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +371,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +372,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +373,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +374,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +375,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +376,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +377,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +378,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +379,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +380,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +381,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +382,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +383,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +384,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +385,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +386,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +387,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +388,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +389,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +390,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +391,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +392,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +393,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +394,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +395,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +396,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +397,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +398,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +399,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +400,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +401,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +402,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +403,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +404,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +405,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +406,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +407,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +408,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +409,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +410,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +411,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +412,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +413,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +414,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +415,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +416,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +417,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +418,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +419,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +420,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +421,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +422,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +423,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +424,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +425,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +426,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +427,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +428,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +429,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +430,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +431,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +432,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +433,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +434,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +435,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +436,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +437,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +438,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +439,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +440,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +441,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +442,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +443,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +444,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +445,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +446,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +447,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +448,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +449,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +450,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +451,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +452,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +453,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +454,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +455,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +456,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +457,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +458,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +459,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +460,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +461,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +462,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +463,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +464,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +465,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +466,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +467,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +468,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +469,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +470,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +471,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +472,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +473,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +474,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +475,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +476,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +477,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +478,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +479,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +480,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +481,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +482,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +483,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +484,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +485,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +486,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +487,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +488,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +489,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +490,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +491,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +492,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +493,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +494,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +495,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +496,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +497,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +498,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +499,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +500,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +501,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +502,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +503,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +504,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +505,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +506,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +507,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +508,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +509,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +510,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +511,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +512,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +513,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +514,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +515,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +516,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +517,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +518,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +519,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +520,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +521,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +522,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +523,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +524,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +525,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +526,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +527,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +528,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +529,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +530,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +531,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +532,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +533,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +534,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +535,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +536,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +537,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +538,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +539,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +540,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +541,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +542,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +543,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +544,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +545,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +546,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +547,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +548,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +549,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +550,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +551,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +552,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +553,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +554,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +555,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +556,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +557,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +558,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +559,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +560,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +561,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +562,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +563,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +564,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +565,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +566,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +567,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +568,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +569,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +570,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +571,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +572,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +573,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +574,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +575,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +576,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +577,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +578,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +579,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +580,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +581,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +582,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +583,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +584,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +585,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +586,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +587,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +588,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +589,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +590,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +591,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +592,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +593,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +594,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +595,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +596,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +597,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +598,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +599,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +600,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +601,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +602,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +603,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +604,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +605,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +606,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +607,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +608,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +609,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +610,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +611,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +612,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +613,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +614,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +615,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +616,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +617,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +618,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +619,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +620,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +621,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +622,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +623,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +624,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +625,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +626,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +627,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +628,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +629,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +630,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +631,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +632,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +633,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +634,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +635,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +636,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +637,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +638,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +639,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +640,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +641,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +642,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +643,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +644,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +645,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +646,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +647,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +648,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +649,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +650,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +651,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +652,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +653,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +654,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +655,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +656,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +657,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +658,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +659,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +660,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +661,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +662,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +663,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +664,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +665,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +666,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +667,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +668,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +669,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +670,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +671,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +672,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +673,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +674,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +675,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +676,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +677,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +678,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +679,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +680,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +681,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +682,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +683,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +684,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +685,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +686,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +687,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +688,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +689,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +690,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +691,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +692,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +693,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +694,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +695,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +696,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +697,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +698,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +699,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +700,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +701,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +702,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +703,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +704,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +705,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +706,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +707,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +708,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +709,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +710,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +711,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +712,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +713,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +714,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +715,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +716,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +717,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +718,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +719,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +720,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +721,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +722,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +723,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +724,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +725,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +726,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +727,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +728,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +729,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +730,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +731,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +732,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +733,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +734,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +735,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +736,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +737,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +738,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +739,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +740,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +741,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +742,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +743,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +744,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +745,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +746,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +747,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +748,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +749,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +750,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +751,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +752,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +753,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +754,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +755,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +756,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +757,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +758,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +759,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +760,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +761,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +762,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +763,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +764,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +765,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +766,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +767,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +768,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +769,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +770,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +771,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +772,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +773,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +774,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +775,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +776,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +777,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +778,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +779,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +780,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +781,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +782,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +783,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +784,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +785,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +786,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +787,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +788,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +789,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +790,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +791,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +792,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +793,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +794,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +795,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +796,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +797,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +798,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +799,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +800,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +801,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +802,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +803,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +804,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +805,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +806,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +807,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +808,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +809,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +810,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +811,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +812,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +813,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +814,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +815,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +816,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +817,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +818,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +819,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +820,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +821,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +822,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +823,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +824,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +825,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +826,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +827,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +828,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +829,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +830,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +831,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +832,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +833,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +834,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +835,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +836,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +837,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +838,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +839,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +840,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +841,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +842,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +843,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +844,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +845,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +846,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +847,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +848,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +849,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +850,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +851,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +852,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +853,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +854,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +855,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +856,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +857,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +858,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +859,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +860,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +861,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +862,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +863,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +864,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +865,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +866,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +867,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +868,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +869,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +870,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +871,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +872,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +873,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +874,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +875,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +876,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +877,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +878,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +879,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +880,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +881,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +882,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +883,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +884,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +885,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +886,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +887,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +888,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +889,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +890,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +891,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +892,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +893,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +894,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +895,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +896,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +897,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +898,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +899,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +900,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +901,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +902,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +903,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +904,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +905,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +906,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +907,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +908,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +909,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +910,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +911,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +912,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +913,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +914,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +915,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +916,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +917,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +918,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +919,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +920,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +921,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +922,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +923,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +924,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +925,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +926,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +927,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +928,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +929,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +930,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +931,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +932,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +933,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +934,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +935,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +936,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +937,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +938,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +939,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +940,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +941,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +942,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +943,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +944,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +945,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +946,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +947,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +948,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +949,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +950,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +951,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +952,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +953,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +954,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +955,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +956,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +957,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +958,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +959,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +960,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +961,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +962,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +963,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +964,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +965,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +966,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +967,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +968,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +969,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +970,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +971,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +972,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +973,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +974,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +975,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +976,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +977,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +978,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +979,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +980,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +981,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +982,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +983,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +984,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +985,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +986,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +987,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +988,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +989,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +990,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +991,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +992,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +993,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +994,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +995,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +996,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +997,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +998,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +999,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1000,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1001,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1002,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1003,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1004,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1005,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1006,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1007,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1008,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1009,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1010,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1011,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1012,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1013,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1014,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1015,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1016,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1017,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1018,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,89.7147190405853,0.00187851691841863,4.0,1.0,20.000428061272828,-20.000428061272828,B,FindHistory,71.7713911985,0.6396857731000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1019,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,89.7147190405853,0.00187851691841863,6.0,1.0,3.818830456945886,-3.818830456945886,B,FindHistory,86.28866602549999,0.1351432422,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1020,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,89.7147190405853,0.00187851691841863,8.0,1.0,1.7609426508604569,-1.7609426508604569,B,FindHistory,88.1348942889,0.09169028439999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1021,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,89.7147190405853,0.00187851691841863,10.0,1.0,0.9584450144644507,-0.9584450144644507,B,FindHistory,88.85485278870001,0.0812520451,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1022,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,89.7147190405853,0.00187851691841863,12.0,1.0,1.7051531120803776,1.7051531120803776,B,FindHistory,91.2444923643,0.17117527510000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1023,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,89.7147190405853,0.00187851691841863,14.0,1.0,0.037112570791910535,0.037112570791910535,B,FindHistory,89.7480144792,0.0217832802,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1024,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,89.7147190405853,0.00187851691841863,16.0,1.0,0.3872517578275232,0.3872517578275232,B,FindHistory,90.06214086709998,0.0280057966,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1025,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1026,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,89.7147190405853,0.00187851691841863,18.0,1.0,0.040534280521846384,-0.040534280521846384,B,FindHistory,89.6783538247,0.0261012464,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1027,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1028,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1029,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1030,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1031,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,89.7147190405853,0.00187851691841863,28.0,1.0,0.2277897217983363,0.2277897217983363,B,FindHistory,89.9190799495,0.0293296618,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1032,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,89.7147190405853,0.00187851691841863,30.0,1.0,0.03153281503552321,0.03153281503552321,B,FindHistory,89.743008617,0.0247728357,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1033,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,89.7147190405853,0.00187851691841863,32.0,1.0,0.03039461715635892,-0.03039461715635892,B,FindHistory,89.6874505952,0.0200079929,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1034,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,89.7147190405853,0.00187851691841863,34.0,1.0,0.029184216776568767,-0.029184216776568767,B,FindHistory,89.6885365025,0.0304397483,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1035,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,89.7147190405853,0.00187851691841863,36.0,1.0,0.13832596848367076,-0.13832596848367076,B,FindHistory,89.5906202866,0.0093292665,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1036,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,89.7147190405853,0.00187851691841863,20.0,1.0,0.06086656927499168,0.06086656927499168,B,FindHistory,89.7693253122,0.0173270134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1037,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,89.7147190405853,0.00187851691841863,38.0,1.0,0.10604234623109594,-0.10604234623109594,B,FindHistory,89.61958344760002,0.0241649398,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1038,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,89.7147190405853,0.00187851691841863,40.0,1.0,0.09873738348911837,-0.09873738348911837,B,FindHistory,89.6261370744,0.025124212799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1039,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,89.7147190405853,0.00187851691841863,42.0,1.0,0.10911739749305596,-0.10911739749305596,B,FindHistory,89.616824674,0.0222079472,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1040,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,44.0,1.0,0.08586078227634601,-0.08586078227634601,B,FindHistory,89.63768928100002,0.020351556,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1041,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,89.7147190405853,0.00187851691841863,46.0,1.0,0.034961337471400164,-0.034961337471400164,B,FindHistory,89.6833535749,0.0232752237,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1042,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,89.7147190405853,0.00187851691841863,48.0,1.0,0.015525344597006099,-0.015525344597006099,B,FindHistory,89.70079052130001,0.021928269500000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1043,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,89.7147190405853,0.00187851691841863,50.0,1.0,0.0007788959189504818,-0.0007788959189504818,B,FindHistory,89.71402025629999,0.021686098199999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1044,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,89.7147190405853,0.00187851691841863,52.0,1.0,0.00930619030478419,-0.00930619030478419,B,FindHistory,89.70637001809997,0.0185654028,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1045,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,89.7147190405853,0.00187851691841863,54.0,1.0,0.020795122822893444,0.020795122822893444,B,FindHistory,89.7333753266,0.0241762594,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1046,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,89.7147190405853,0.00187851691841863,56.0,1.0,0.031347520468717464,0.031347520468717464,B,FindHistory,89.7428423805,0.0226189984,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1047,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,89.7147190405853,0.00187851691841863,22.0,1.0,0.04588881473964562,0.04588881473964562,B,FindHistory,89.75588806180002,0.0169807031,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1048,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,89.7147190405853,0.00187851691841863,58.0,1.0,0.025311008001309736,0.025311008001309736,B,FindHistory,89.73742674030001,0.0215633023,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1049,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,89.7147190405853,0.00187851691841863,60.0,1.0,0.008301635667301637,0.008301635667301637,B,FindHistory,89.72216682969999,0.0179998512,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1050,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,89.7147190405853,0.00187851691841863,62.0,1.0,0.0004944267674581997,-0.0004944267674581997,B,FindHistory,89.71427546700001,0.020935003400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1051,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,89.7147190405853,0.00187851691841863,64.0,1.0,0.04021246532463612,-0.04021246532463612,B,FindHistory,89.6786425403,0.0187348685,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1052,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,89.7147190405853,0.00187851691841863,24.0,1.0,0.12031994478617651,0.12031994478617651,B,FindHistory,89.822663741,0.023755065899999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1053,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,89.7147190405853,0.00187851691841863,26.0,1.0,0.13579392168590615,0.13579392168590615,B,FindHistory,89.8365461759,0.023557134,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +0,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +2,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +3,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +4,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +5,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +6,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +7,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +8,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +9,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +10,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +11,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +12,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +13,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +14,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +15,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +16,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +17,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +18,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +19,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +20,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +21,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +22,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +23,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +24,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +25,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +26,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +27,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +28,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +29,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +30,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +31,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +32,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +33,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +34,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +35,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +36,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +37,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +38,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +39,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +40,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +41,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +42,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +43,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +44,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +45,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +46,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +47,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +48,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +49,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +50,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +51,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +52,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +53,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +54,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +55,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +56,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +57,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +58,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +59,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +60,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +61,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +62,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +63,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +64,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +65,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +66,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +67,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +68,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +69,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +70,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +71,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +72,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +73,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +74,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +75,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +76,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +77,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +78,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +79,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +80,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +81,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +82,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +83,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +84,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +85,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +86,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +87,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +88,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +89,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +90,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +91,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +92,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +93,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +94,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +95,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +96,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +97,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +98,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +99,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +100,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +101,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +102,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +103,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +104,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +105,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +106,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +107,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +108,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +109,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +110,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +111,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +112,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +113,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +114,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +115,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +116,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +117,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +118,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +119,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +120,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +121,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +122,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +123,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +124,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +125,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +126,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +127,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +128,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +129,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +130,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +131,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +132,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +133,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +134,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +135,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +136,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +137,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +138,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +139,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +140,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +141,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +142,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +143,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +144,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +145,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +146,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +147,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +148,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +149,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +150,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +151,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +152,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +153,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +154,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +155,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +156,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +157,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +158,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +159,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +160,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +161,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +162,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +163,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +164,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +165,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +166,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +167,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +168,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +169,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +170,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +171,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +172,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +173,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +174,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +175,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +176,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +177,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +178,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +179,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +180,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +181,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +182,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +183,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +184,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +185,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +186,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +187,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +188,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +189,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +190,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +191,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +192,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +193,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +194,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +195,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +196,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +197,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +198,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +199,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +200,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +201,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +202,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +203,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +204,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +205,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +206,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +207,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +208,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +209,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +210,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +211,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +212,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +213,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +214,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +215,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +216,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +217,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +218,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +219,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +220,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +221,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +222,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +223,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +224,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +225,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +226,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +227,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +228,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +229,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +230,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +231,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +232,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +233,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +234,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +235,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +236,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +237,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +238,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +239,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +240,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +241,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +242,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +243,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +244,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +245,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +246,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +247,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +248,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +249,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +250,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +251,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +252,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +253,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +254,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +255,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +256,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +257,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +258,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +259,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +260,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +261,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +262,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +263,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +264,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +265,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +266,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +267,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +268,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +269,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +270,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +271,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +272,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +273,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +274,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +275,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +276,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +277,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +278,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +279,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +280,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +281,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +282,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +283,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +284,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +285,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +286,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +287,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +288,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +289,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +290,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +291,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +292,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +293,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +294,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +295,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +296,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +297,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +298,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +299,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +300,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +301,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +302,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +303,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +304,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +305,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +306,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +307,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +308,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +309,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +310,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +311,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +312,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +313,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +314,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +315,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +316,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +317,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +318,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +319,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +320,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +321,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +322,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +323,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +324,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +325,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +326,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +327,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +328,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +329,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +330,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +331,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +332,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +333,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +334,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +335,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +336,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +337,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +338,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +339,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +340,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +341,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +342,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +343,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +344,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +345,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +346,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +347,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +348,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +349,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +350,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +351,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +352,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +353,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +354,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +355,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +356,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +357,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +358,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +359,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +360,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +361,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +362,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +363,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +364,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +365,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +366,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +367,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +368,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +369,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +370,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +371,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +372,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +373,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +374,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +375,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +376,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +377,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +378,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +379,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +380,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +381,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +382,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +383,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +384,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +385,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +386,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +387,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +388,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +389,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +390,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +391,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +392,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +393,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +394,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +395,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +396,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +397,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +398,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +399,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +400,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +401,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +402,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +403,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +404,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +405,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +406,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +407,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +408,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +409,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +410,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +411,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +412,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +413,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +414,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +415,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +416,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +417,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +418,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +419,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +420,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +421,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +422,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +423,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +424,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +425,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +426,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +427,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +428,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +429,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +430,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +431,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +432,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +433,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +434,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +435,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +436,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +437,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +438,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +439,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +440,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +441,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +442,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +443,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +444,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +445,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +446,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +447,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +448,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +449,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +450,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +451,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +452,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +453,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +454,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +455,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +456,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +457,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +458,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +459,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +460,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +461,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +462,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +463,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +464,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +465,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +466,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +467,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +468,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +469,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +470,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +471,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +472,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +473,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +474,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +475,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +476,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +477,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +478,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +479,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +480,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +481,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +482,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +483,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +484,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +485,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +486,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +487,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +488,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +489,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +490,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +491,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +492,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +493,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +494,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +495,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +496,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +497,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +498,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +499,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +500,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +501,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +502,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +503,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +504,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +505,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +506,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +507,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +508,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +509,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +510,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +511,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +512,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +513,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +514,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +515,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +516,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +517,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +518,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +519,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +520,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +521,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +522,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +523,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +524,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +525,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +526,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +527,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +528,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +529,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +530,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +531,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +532,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +533,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +534,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +535,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +536,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +537,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +538,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +539,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +540,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +541,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +542,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +543,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +544,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +545,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +546,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +547,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +548,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +549,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +550,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +551,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +552,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +553,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +554,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +555,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +556,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +557,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +558,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +559,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +560,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +561,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +562,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +563,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +564,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +565,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +566,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +567,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +568,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +569,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +570,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +571,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +572,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +573,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +574,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +575,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +576,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +577,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +578,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +579,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +580,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +581,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +582,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +583,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +584,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +585,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +586,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +587,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +588,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +589,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +590,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +591,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +592,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +593,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +594,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +595,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +596,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +597,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +598,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +599,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +600,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +601,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +602,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +603,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +604,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +605,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +606,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +607,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +608,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +609,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +610,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +611,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +612,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +613,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +614,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +615,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +616,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +617,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +618,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +619,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +620,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +621,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +622,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +623,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +624,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +625,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +626,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +627,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +628,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +629,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +630,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +631,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +632,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +633,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +634,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +635,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +636,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +637,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +638,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +639,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +640,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +641,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +642,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +643,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +644,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +645,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +646,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +647,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +648,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +649,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +650,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +651,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +652,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +653,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +654,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +655,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +656,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +657,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +658,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +659,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +660,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +661,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +662,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +663,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +664,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +665,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +666,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +667,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +668,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +669,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +670,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +671,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +672,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +673,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +674,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +675,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +676,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +677,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +678,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +679,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +680,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +681,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +682,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +683,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +684,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +685,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +686,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +687,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +688,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +689,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +690,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +691,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +692,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +693,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +694,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +695,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +696,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +697,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +698,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +699,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +700,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +701,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +702,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +703,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +704,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +705,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +706,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +707,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +708,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +709,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +710,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +711,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +712,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +713,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +714,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +715,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +716,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +717,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +718,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +719,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +720,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +721,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +722,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +723,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +724,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +725,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +726,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +727,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +728,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +729,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +730,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +731,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +732,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +733,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +734,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +735,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +736,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +737,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +738,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +739,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +740,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +741,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +742,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +743,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +744,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +745,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +746,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +747,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +748,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +749,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +750,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +751,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +752,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +753,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +754,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +755,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +756,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +757,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +758,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +759,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +760,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +761,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +762,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +763,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +764,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +765,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +766,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +767,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +768,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +769,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +770,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +771,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +772,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +773,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +774,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +775,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +776,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +777,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +778,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +779,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +780,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +781,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +782,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +783,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +784,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +785,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +786,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +787,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +788,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +789,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +790,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +791,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +792,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +793,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +794,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +795,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +796,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +797,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +798,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +799,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +800,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +801,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +802,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +803,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +804,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +805,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +806,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +807,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +808,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +809,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +810,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +811,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +812,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +813,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +814,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +815,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +816,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +817,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +818,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +819,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +820,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +821,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +822,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +823,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +824,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +825,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +826,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +827,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +828,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +829,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +830,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +831,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +832,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +833,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +834,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +835,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +836,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +837,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +838,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +839,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +840,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +841,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +842,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +843,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +844,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +845,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +846,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +847,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +848,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +849,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +850,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +851,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +852,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +853,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +854,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +855,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +856,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +857,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +858,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +859,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +860,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +861,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +862,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +863,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +864,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +865,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +866,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +867,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +868,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +869,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +870,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +871,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +872,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +873,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +874,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +875,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +876,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +877,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +878,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +879,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +880,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +881,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +882,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +883,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +884,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +885,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +886,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +887,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +888,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +889,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +890,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +891,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +892,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +893,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +894,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +895,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +896,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +897,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +898,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +899,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +900,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +901,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +902,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +903,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +904,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +905,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +906,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +907,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +908,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +909,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +910,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +911,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +912,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +913,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +914,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +915,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +916,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +917,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +918,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +919,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +920,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +921,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +922,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +923,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +924,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +925,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +926,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +927,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +928,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +929,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +930,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +931,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +932,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +933,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +934,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +935,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +936,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +937,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +938,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +939,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +940,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +941,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +942,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +943,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +944,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +945,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +946,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +947,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +948,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +949,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +950,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +951,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +952,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +953,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +954,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +955,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +956,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +957,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +958,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +959,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +960,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +961,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +962,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +963,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +964,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +965,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +966,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +967,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +968,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +969,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +970,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +971,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +972,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +973,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +974,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +975,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +976,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +977,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +978,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +979,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +980,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +981,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +982,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +983,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +984,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +985,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +986,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +987,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +988,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +989,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +990,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +991,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +992,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +993,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +994,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +995,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +996,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +997,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +998,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +999,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1000,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1001,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1002,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1003,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1004,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1005,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1006,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1007,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1008,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1009,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1010,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1011,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1012,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1013,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1014,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1015,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1016,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1017,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1018,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,-2.71753167082976,6.27806621101497e-07,4.0,1.0,-2.8863385023884676,-2.8863385023884676,E0,FindHistory,-2.6390945079,1.3841600000000001e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1019,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,-2.71753167082976,6.27806621101497e-07,6.0,1.0,-0.1841565853115359,-0.1841565853115359,E0,FindHistory,-2.7125271573000003,7.700800000000001e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1020,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1021,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,-2.71753167082976,6.27806621101497e-07,8.0,1.0,-0.04581877161267855,-0.04581877161267855,E0,FindHistory,-2.7162865312,5.9103e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1022,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,-2.71753167082976,6.27806621101497e-07,10.0,1.0,-0.03127148726035492,0.03127148726035492,E0,FindHistory,-2.7183814833999995,5.4914000000000005e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1023,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,-2.71753167082976,6.27806621101497e-07,12.0,1.0,-0.01790136893203194,0.01790136893203194,E0,FindHistory,-2.7180181462,1.13237e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1024,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,-2.71753167082976,6.27806621101497e-07,14.0,1.0,-0.021865440488461507,0.021865440488461507,E0,FindHistory,-2.7181258711000003,1.4178e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1025,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,-2.71753167082976,6.27806621101497e-07,16.0,1.0,-0.021207707583546398,0.021207707583546398,E0,FindHistory,-2.7181079969999997,1.8371e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1026,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,-2.71753167082976,6.27806621101497e-07,18.0,1.0,-0.013191823082985443,0.013191823082985443,E0,FindHistory,-2.7178901628,1.7091999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1027,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1028,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1029,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1030,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1031,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,-2.71753167082976,6.27806621101497e-07,20.0,1.0,-0.013578239922683647,0.013578239922683647,E0,FindHistory,-2.7179006638,1.1380000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1032,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,-2.71753167082976,6.27806621101497e-07,28.0,1.0,-0.00393204507559187,0.00393204507559187,E0,FindHistory,-2.7176385254000004,1.9254e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1033,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,-2.71753167082976,6.27806621101497e-07,30.0,1.0,-8.961331587305216e-05,8.961331587305216e-05,E0,FindHistory,-2.7175341061,1.6247999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1034,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,-2.71753167082976,6.27806621101497e-07,32.0,1.0,-0.0003731926979325601,-0.0003731926979325601,E0,FindHistory,-2.7175215292000003,1.3082e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1035,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,-2.71753167082976,6.27806621101497e-07,34.0,1.0,-0.0018309677967716757,-0.0018309677967716757,E0,FindHistory,-2.7174819137,1.9893e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1036,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,-2.71753167082976,6.27806621101497e-07,36.0,1.0,-0.0019168398410592624,-0.0019168398410592624,E0,FindHistory,-2.7174795801,6.087e-07,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1037,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,-2.71753167082976,6.27806621101497e-07,38.0,1.0,-0.001828634797269175,-0.001828634797269175,E0,FindHistory,-2.7174819771000003,1.5779e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1038,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,-2.71753167082976,6.27806621101497e-07,40.0,1.0,-0.0015721226073756801,-0.0015721226073756801,E0,FindHistory,-2.7174889479,1.6405000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1039,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,-2.71753167082976,6.27806621101497e-07,42.0,1.0,-0.0013994401672749975,-0.0013994401672749975,E0,FindHistory,-2.7174936406,1.4511000000000004e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1040,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,44.0,1.0,-0.000790232915785124,-0.000790232915785124,E0,FindHistory,-2.717510196,1.33e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1041,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,-2.71753167082976,6.27806621101497e-07,46.0,1.0,-0.00047832486734942787,-0.00047832486734942787,E0,FindHistory,-2.7175186722,1.5228e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1042,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,-2.71753167082976,6.27806621101497e-07,22.0,1.0,-0.009790854439568397,0.009790854439568397,E0,FindHistory,-2.7177977404,1.1154000000000002e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1043,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,-2.71753167082976,6.27806621101497e-07,48.0,1.0,-0.00020327747489183045,-0.00020327747489183045,E0,FindHistory,-2.7175261467,1.4342e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1044,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,-2.71753167082976,6.27806621101497e-07,50.0,1.0,-0.0001697963740276503,0.0001697963740276503,E0,FindHistory,-2.7175362851,1.4192e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1045,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,-2.71753167082976,6.27806621101497e-07,52.0,1.0,-0.00013899268518863665,0.00013899268518863665,E0,FindHistory,-2.717535448,1.2154e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1046,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,-2.71753167082976,6.27806621101497e-07,54.0,1.0,-0.0003334927183121053,0.0003334927183121053,E0,FindHistory,-2.7175407336,1.5827e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1047,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,-2.71753167082976,6.27806621101497e-07,56.0,1.0,-0.00028996792658960644,0.00028996792658960644,E0,FindHistory,-2.7175395508,1.4809999999999999e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1048,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,-2.71753167082976,6.27806621101497e-07,58.0,1.0,-0.00020254668231194613,0.00020254668231194613,E0,FindHistory,-2.7175371751,1.4122999999999996e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1049,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,-2.71753167082976,6.27806621101497e-07,60.0,1.0,-8.727414030963419e-06,8.727414030963419e-06,E0,FindHistory,-2.717531908,1.1788e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1050,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,-2.71753167082976,6.27806621101497e-07,62.0,1.0,-5.9010526990636634e-05,-5.9010526990636634e-05,E0,FindHistory,-2.7175300672,1.3711e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1051,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,-2.71753167082976,6.27806621101497e-07,64.0,1.0,-0.0003451194280675973,-0.0003451194280675973,E0,FindHistory,-2.7175222921,1.2266e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1052,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,-2.71753167082976,6.27806621101497e-07,24.0,1.0,-0.007594776997651381,0.007594776997651381,E0,FindHistory,-2.7177380613,1.5603e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1053,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,-2.71753167082976,6.27806621101497e-07,26.0,1.0,-0.004843868855452588,0.004843868855452588,E0,FindHistory,-2.7176633045000003,1.5456e-06,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +0,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +2,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +3,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +4,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +5,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +6,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +7,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +8,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +9,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +10,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +11,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +12,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +13,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +14,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +15,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +16,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +17,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +18,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +19,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +20,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +21,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +22,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +23,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +24,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +25,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +26,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +27,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +28,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +29,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +30,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +31,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +32,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +33,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +34,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +35,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +36,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +37,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +38,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +39,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +40,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +41,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +42,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +43,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +44,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +45,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +46,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +47,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +48,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +49,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +50,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +51,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +52,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +53,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +54,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +55,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +56,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +57,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +58,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +59,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +60,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +61,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +62,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +63,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +64,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +65,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +66,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +67,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +68,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +69,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +70,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +71,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +72,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +73,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +74,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +75,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +76,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +77,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +78,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +79,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +80,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +81,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +82,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +83,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +84,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +85,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +86,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +87,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +88,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +89,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +90,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +91,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +92,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +93,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +94,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +95,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +96,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +97,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +98,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +99,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +100,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +101,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +102,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +103,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +104,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +105,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +106,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +107,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +108,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +109,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +110,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +111,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +112,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +113,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +114,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +115,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +116,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +117,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +118,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +119,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +120,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +121,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +122,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +123,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +124,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +125,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +126,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +127,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +128,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +129,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +130,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +131,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +132,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +133,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +134,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +135,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +136,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +137,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +138,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +139,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +140,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +141,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +142,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +143,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +144,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +145,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +146,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +147,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +148,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +149,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +150,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +151,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +152,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +153,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +154,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +155,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +156,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +157,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +158,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +159,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +160,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +161,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +162,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +163,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +164,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +165,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +166,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +167,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +168,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +169,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +170,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +171,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +172,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +173,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +174,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +175,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +176,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +177,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +178,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +179,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +180,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +181,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +182,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +183,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +184,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +185,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +186,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +187,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +188,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +189,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +190,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +191,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +192,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +193,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +194,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +195,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +196,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +197,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +198,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +199,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +200,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +201,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +202,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +203,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +204,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +205,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +206,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +207,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +208,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +209,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +210,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +211,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +212,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +213,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +214,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +215,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +216,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +217,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +218,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +219,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +220,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +221,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +222,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +223,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +224,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +225,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +226,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +227,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +228,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +229,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +230,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +231,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +232,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +233,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +234,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +235,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +236,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +237,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +238,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +239,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +240,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +241,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +242,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +243,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +244,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +245,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +246,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +247,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +248,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +249,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +250,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +251,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +252,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +253,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +254,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +255,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +256,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +257,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +258,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +259,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +260,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +261,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +262,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +263,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +264,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +265,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +266,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +267,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +268,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +269,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +270,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +271,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +272,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +273,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +274,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +275,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +276,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +277,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +278,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +279,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +280,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +281,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +282,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +283,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +284,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +285,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +286,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +287,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +288,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +289,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +290,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +291,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +292,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +293,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +294,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +295,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +296,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +297,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +298,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +299,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +300,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +301,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +302,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +303,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +304,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +305,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +306,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +307,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +308,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +309,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +310,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +311,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +312,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +313,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +314,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +315,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +316,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +317,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +318,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +319,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +320,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +321,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +322,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +323,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +324,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +325,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +326,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +327,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +328,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +329,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +330,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +331,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +332,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +333,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +334,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +335,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +336,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +337,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +338,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +339,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +340,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +341,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +342,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +343,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +344,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +345,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +346,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +347,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +348,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +349,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +350,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +351,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +352,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +353,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +354,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +355,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +356,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +357,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +358,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +359,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +360,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +361,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +362,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +363,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +364,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +365,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +366,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +367,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +368,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +369,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +370,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +371,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +372,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +373,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +374,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +375,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +376,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +377,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +378,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +379,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +380,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +381,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +382,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +383,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +384,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +385,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +386,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +387,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +388,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +389,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +390,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +391,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +392,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +393,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +394,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +395,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +396,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +397,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +398,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +399,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +400,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +401,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +402,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +403,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +404,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +405,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +406,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +407,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +408,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +409,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +410,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +411,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +412,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +413,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +414,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +415,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +416,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +417,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +418,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +419,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +420,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +421,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +422,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +423,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +424,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +425,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +426,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +427,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +428,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +429,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +430,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +431,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +432,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +433,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +434,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +435,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +436,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +437,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +438,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +439,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +440,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +441,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +442,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +443,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +444,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +445,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +446,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +447,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +448,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +449,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +450,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +451,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +452,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +453,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +454,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +455,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +456,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +457,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +458,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +459,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +460,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +461,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +462,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +463,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +464,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +465,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +466,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +467,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +468,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +469,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +470,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +471,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +472,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +473,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +474,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +475,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +476,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +477,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +478,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +479,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +480,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +481,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +482,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +483,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +484,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +485,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +486,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +487,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +488,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +489,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +490,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +491,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +492,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +493,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +494,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +495,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +496,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +497,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +498,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +499,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +500,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +501,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +502,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +503,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +504,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +505,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +506,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +507,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +508,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +509,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +510,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +511,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +512,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +513,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +514,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +515,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +516,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +517,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +518,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +519,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +520,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +521,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +522,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +523,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +524,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +525,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +526,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +527,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +528,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +529,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +530,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +531,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +532,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +533,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +534,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +535,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +536,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +537,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +538,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +539,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +540,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +541,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +542,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +543,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +544,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +545,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +546,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +547,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +548,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +549,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +550,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +551,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +552,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +553,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +554,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +555,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +556,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +557,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +558,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +559,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +560,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +561,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +562,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +563,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +564,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +565,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +566,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +567,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +568,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +569,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +570,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +571,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +572,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +573,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +574,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +575,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +576,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +577,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +578,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +579,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +580,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +581,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +582,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +583,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +584,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +585,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +586,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +587,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +588,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +589,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +590,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +591,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +592,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +593,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +594,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +595,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +596,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +597,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +598,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +599,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +600,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +601,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +602,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +603,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +604,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +605,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +606,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +607,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +608,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +609,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +610,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +611,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +612,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +613,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +614,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +615,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +616,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +617,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +618,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +619,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +620,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +621,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +622,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +623,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +624,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +625,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +626,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +627,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +628,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +629,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +630,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +631,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +632,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +633,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +634,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +635,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +636,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +637,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +638,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +639,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +640,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +641,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +642,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +643,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +644,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +645,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +646,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +647,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +648,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +649,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +650,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +651,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +652,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +653,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +654,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +655,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +656,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +657,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +658,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +659,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +660,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +661,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +662,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +663,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +664,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +665,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +666,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +667,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +668,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +669,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +670,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +671,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +672,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +673,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +674,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +675,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +676,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +677,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +678,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +679,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +680,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +681,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +682,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +683,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +684,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +685,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +686,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +687,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +688,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +689,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +690,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +691,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +692,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +693,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +694,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +695,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +696,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +697,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +698,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +699,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +700,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +701,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +702,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +703,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +704,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +705,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +706,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +707,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +708,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +709,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +710,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +711,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +712,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +713,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +714,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +715,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +716,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +717,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +718,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +719,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +720,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +721,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +722,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +723,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +724,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +725,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +726,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +727,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +728,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +729,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +730,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +731,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +732,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +733,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +734,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +735,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +736,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +737,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +738,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +739,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +740,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +741,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +742,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +743,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +744,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +745,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +746,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +747,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +748,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +749,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +750,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +751,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +752,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +753,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +754,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +755,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +756,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +757,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +758,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +759,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +760,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +761,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +762,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +763,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +764,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +765,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +766,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +767,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +768,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +769,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +770,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +771,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +772,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +773,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +774,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +775,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +776,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +777,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +778,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +779,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +780,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +781,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +782,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +783,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +784,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +785,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +786,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +787,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +788,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +789,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +790,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +791,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +792,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +793,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +794,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +795,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +796,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +797,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +798,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +799,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +800,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +801,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +802,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +803,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +804,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +805,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +806,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +807,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +808,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +809,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +810,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +811,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +812,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +813,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +814,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +815,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +816,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +817,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +818,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +819,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +820,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +821,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +822,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +823,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +824,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +825,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +826,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +827,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +828,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +829,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +830,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +831,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +832,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +833,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +834,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +835,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +836,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +837,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +838,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +839,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +840,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +841,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +842,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +843,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +844,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +845,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +846,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +847,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +848,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +849,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +850,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +851,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +852,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +853,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +854,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +855,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +856,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +857,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +858,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +859,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +860,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +861,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +862,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +863,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +864,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +865,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +866,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +867,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +868,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +869,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +870,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +871,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +872,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +873,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +874,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +875,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +876,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +877,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +878,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +879,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +880,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +881,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +882,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +883,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +884,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +885,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +886,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +887,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +888,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +889,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +890,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +891,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +892,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +893,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +894,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +895,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +896,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +897,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +898,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +899,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +900,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +901,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +902,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +903,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +904,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +905,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +906,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +907,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +908,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +909,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +910,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +911,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +912,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +913,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +914,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +915,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +916,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +917,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +918,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +919,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +920,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +921,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +922,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +923,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +924,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +925,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +926,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +927,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +928,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +929,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +930,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +931,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +932,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +933,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +934,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +935,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +936,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +937,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +938,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +939,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +940,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +941,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +942,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +943,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +944,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +945,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +946,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +947,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +948,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +949,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +950,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +951,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +952,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +953,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +954,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +955,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +956,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +957,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +958,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +959,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +960,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +961,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +962,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +963,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +964,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +965,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +966,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +967,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +968,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +969,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +970,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +971,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +972,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +973,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +974,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +975,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +976,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +977,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +978,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +979,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +980,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +981,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +982,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +983,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +984,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +985,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +986,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +987,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +988,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +989,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +990,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +991,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +992,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +993,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +994,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +995,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +996,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +997,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +998,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +999,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1000,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1001,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1002,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1003,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1004,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1005,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1006,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1007,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1008,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1009,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1010,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1011,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1012,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1013,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1014,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1015,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1016,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1017,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1018,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,5.7891900241831,0.0006582824537787557,4.0,1.0,15.179691943881284,15.179691943881284,dB,FindHistory,6.6679712359000005,0.2066837341,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1019,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,5.7891900241831,0.0006582824537787557,6.0,1.0,6.905179575156703,6.905179575156703,dB,FindHistory,6.1889439913,0.1198090152,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1020,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,5.7891900241831,0.0006582824537787557,8.0,1.0,2.7484669176902994,2.7484669176902994,dB,FindHistory,5.948303996799999,0.0945204712,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1021,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,5.7891900241831,0.0006582824537787557,10.0,1.0,1.0176837825463136,1.0176837825463136,dB,FindHistory,5.8481056722,0.0886769149,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1022,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,5.7891900241831,0.0006582824537787557,12.0,1.0,6.052875452685546,-6.052875452685546,dB,FindHistory,5.4387775623,0.17705479200000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1023,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,5.7891900241831,0.0006582824537787557,14.0,1.0,0.5987333001388224,-0.5987333001388224,dB,FindHistory,5.754528215700001,0.0223699504,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1024,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,5.7891900241831,0.0006582824537787557,16.0,1.0,2.423259378204562,-2.423259378204562,dB,FindHistory,5.648902934,0.0289841899,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1025,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1026,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1027,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,5.7891900241831,0.0006582824537787557,18.0,1.0,0.26102394670023465,-0.26102394670023465,dB,FindHistory,5.774078851900001,0.027045143400000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1028,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1029,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1030,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1031,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,5.7891900241831,0.0006582824537787557,28.0,1.0,0.2719905862015909,-0.2719905862015909,dB,FindHistory,5.7734439723,0.0304138816,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1032,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,5.7891900241831,0.0006582824537787557,30.0,1.0,0.37676591588437774,0.37676591588437774,dB,FindHistory,5.811001719,0.0257022148,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1033,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,5.7891900241831,0.0006582824537787557,32.0,1.0,0.3101780233174073,-0.3101780233174073,dB,FindHistory,5.771233229,0.0206874121,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1034,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,5.7891900241831,0.0006582824537787557,34.0,1.0,1.4704115485501201,-1.4704115485501201,dB,FindHistory,5.7040651055,0.031464199000000005,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1035,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,5.7891900241831,0.0006582824537787557,36.0,1.0,0.5919640474737334,-0.5919640474737334,dB,FindHistory,5.7549201006,0.0096306193,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1036,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,5.7891900241831,0.0006582824537787557,38.0,1.0,0.4034888562877482,0.4034888562877482,dB,FindHistory,5.8125487608,0.024952655299999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1037,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,5.7891900241831,0.0006582824537787557,40.0,1.0,0.022762949763201205,0.022762949763201205,dB,FindHistory,5.790507814600001,0.0259451298,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1038,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,5.7891900241831,0.0006582824537787557,20.0,1.0,0.08889910439286271,-0.08889910439286271,dB,FindHistory,5.7840434861,0.018006137800000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1039,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,5.7891900241831,0.0006582824537787557,42.0,1.0,0.1321637031249515,0.1321637031249515,dB,FindHistory,5.7968412321,0.0229563588,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1040,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,44.0,1.0,0.1382711182334935,-0.1382711182334935,dB,FindHistory,5.7811852464,0.0210393755,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1041,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,5.7891900241831,0.0006582824537787557,46.0,1.0,0.37247885501811523,0.37247885501811523,dB,FindHistory,5.8107535329,0.0240847022,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1042,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,5.7891900241831,0.0006582824537787557,48.0,1.0,0.36930032860886236,-0.36930032860886236,dB,FindHistory,5.7678105264,0.0226797268,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1043,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,5.7891900241831,0.0006582824537787557,50.0,1.0,0.05440374508253656,-0.05440374508253656,dB,FindHistory,5.786040487999999,0.022442217799999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1044,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,5.7891900241831,0.0006582824537787557,52.0,1.0,0.0017646063866134443,0.0017646063866134443,dB,FindHistory,5.7892921805999995,0.0192234667,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1045,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,5.7891900241831,0.0006582824537787557,54.0,1.0,0.02285564148652499,0.02285564148652499,dB,FindHistory,5.7905131807000005,0.025024459199999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1046,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,5.7891900241831,0.0006582824537787557,56.0,1.0,0.27951843203459387,-0.27951843203459387,dB,FindHistory,5.773008171,0.023417660200000003,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1047,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,5.7891900241831,0.0006582824537787557,58.0,1.0,0.17971048004367,-0.17971048004367,dB,FindHistory,5.778786243,0.0223328739,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1048,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,5.7891900241831,0.0006582824537787557,60.0,1.0,0.20315484435596826,-0.20315484435596826,dB,FindHistory,5.777429004199999,0.0186428424,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1049,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,5.7891900241831,0.0006582824537787557,22.0,1.0,0.07486632957279202,-0.07486632957279202,dB,FindHistory,5.7848558700999995,0.017653413899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1050,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,5.7891900241831,0.0006582824537787557,62.0,1.0,0.15635250836627296,0.15635250836627296,dB,FindHistory,5.798241568,0.021684445899999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1051,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,5.7891900241831,0.0006582824537787557,64.0,1.0,0.02564336076201488,-0.02564336076201488,dB,FindHistory,5.7877054813,0.0194059061,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1052,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,5.7891900241831,0.0006582824537787557,24.0,1.0,0.2757511974942113,0.2757511974942113,dB,FindHistory,5.805153785,0.024672718599999997,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1053,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,5.7891900241831,0.0006582824537787557,26.0,1.0,0.5025438059826809,-0.5025438059826809,dB,FindHistory,5.7600968083,0.0244328831,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +0,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +2,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +3,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +4,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +5,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +6,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +7,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +8,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +9,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +10,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +11,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +12,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +13,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +14,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +15,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +16,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +17,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +18,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +19,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +20,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +21,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +22,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +23,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +24,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +25,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +26,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +27,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +28,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +29,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +30,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +31,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +32,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +33,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +34,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +35,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +36,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +37,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +38,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +39,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +40,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +41,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +42,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +43,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +44,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +45,TetraBloechl,PseudoPot_40x40x40_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +46,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +47,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +48,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +49,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +50,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +51,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +52,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +53,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +54,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +55,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +56,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +57,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +58,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +59,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +60,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +61,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +62,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +63,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +64,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +65,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +66,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +67,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +68,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +69,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +70,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +71,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +72,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +73,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +74,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +75,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +76,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +77,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +78,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +79,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +80,TetraBloechl,PseudoPot_42x42x42_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +81,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +82,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +83,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +84,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +85,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +86,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +87,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +88,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +89,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +90,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +91,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +92,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +93,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +94,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +95,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +96,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +97,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +98,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +99,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +100,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +101,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +102,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +103,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +104,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +105,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +106,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +107,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +108,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +109,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +110,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +111,TetraBloechl,PseudoPot_44x44x44_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +112,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +113,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +114,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +115,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +116,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +117,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +118,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +119,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +120,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +121,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +122,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +123,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +124,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +125,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +126,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +127,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +128,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +129,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +130,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +131,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +132,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +133,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +134,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +135,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +136,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +137,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +138,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +139,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +140,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +141,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +142,TetraBloechl,PseudoPot_46x46x46_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +143,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +144,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +145,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +146,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +147,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +148,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +149,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +150,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +151,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +152,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +153,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +154,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +155,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +156,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +157,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +158,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +159,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +160,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +161,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +162,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +163,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +164,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +165,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +166,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +167,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +168,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +169,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +170,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +171,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +172,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +173,TetraBloechl,PseudoPot_48x48x48_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +174,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +175,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +176,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +177,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +178,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +179,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +180,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +181,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +182,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +183,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +184,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +185,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +186,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +187,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +188,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +189,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +190,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +191,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +192,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +193,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +194,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +195,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +196,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +197,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +198,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +199,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +200,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +201,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +202,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +203,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +204,TetraBloechl,PseudoPot_4x4x4_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +205,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +206,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +207,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +208,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +209,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +210,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +211,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +212,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +213,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +214,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +215,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +216,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +217,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +218,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +219,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +220,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +221,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +222,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +223,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +224,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +225,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +226,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +227,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +228,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +229,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +230,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +231,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +232,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +233,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +234,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +235,TetraBloechl,PseudoPot_50x50x50_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +236,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +237,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +238,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +239,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +240,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +241,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +242,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +243,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +244,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +245,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +246,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +247,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +248,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +249,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +250,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +251,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +252,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +253,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +254,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +255,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +256,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +257,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +258,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +259,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +260,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +261,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +262,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +263,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +264,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +265,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +266,TetraBloechl,PseudoPot_52x52x52_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +267,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +268,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +269,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +270,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +271,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +272,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +273,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +274,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +275,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +276,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +277,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +278,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +279,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +280,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +281,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +282,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +283,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +284,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +285,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +286,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +287,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +288,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +289,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +290,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +291,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +292,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +293,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +294,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +295,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +296,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +297,TetraBloechl,PseudoPot_54x54x54_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +298,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +299,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +300,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +301,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +302,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +303,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +304,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +305,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +306,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +307,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +308,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +309,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +310,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +311,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +312,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +313,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +314,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +315,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +316,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +317,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +318,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +319,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +320,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +321,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +322,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +323,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +324,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +325,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +326,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +327,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +328,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +329,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +330,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +331,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +332,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +333,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +334,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +335,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +336,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +337,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +338,TetraBloechl,PseudoPot_56x56x56_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +339,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +340,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +341,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +342,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +343,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +344,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +345,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +346,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +347,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +348,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +349,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +350,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +351,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +352,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +353,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +354,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +355,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +356,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +357,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +358,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +359,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +360,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +361,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +362,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +363,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +364,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +365,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +366,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +367,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +368,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +369,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +370,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +371,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +372,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +373,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +374,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +375,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +376,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +377,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +378,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +379,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +380,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +381,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +382,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +383,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +384,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +385,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +386,TetraBloechl,PseudoPot_58x58x58_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +387,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +388,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +389,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +390,TetraBloechl,PseudoPot_14x14x14_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +391,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +392,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +393,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +394,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +395,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +396,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +397,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +398,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +399,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +400,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +401,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +402,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +403,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +404,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +405,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +406,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +407,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +408,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +409,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +410,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +411,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +412,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +413,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +414,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +415,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +416,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +417,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +418,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +419,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +420,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +421,TetraBloechl,PseudoPot_60x60x60_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +422,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +423,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +424,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +425,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +426,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +427,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +428,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +429,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +430,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +431,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +432,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +433,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +434,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +435,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +436,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +437,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +438,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +439,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +440,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +441,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +442,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +443,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +444,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +445,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +446,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +447,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +448,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +449,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +450,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +451,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +452,TetraBloechl,PseudoPot_62x62x62_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +453,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +454,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +455,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +456,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +457,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +458,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +459,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +460,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +461,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +462,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +463,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +464,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +465,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +466,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +467,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +468,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +469,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +470,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +471,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +472,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +473,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +474,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +475,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +476,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +477,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +478,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +479,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +480,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +481,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +482,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +483,TetraBloechl,PseudoPot_64x64x64_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +484,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +485,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +486,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +487,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +488,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +489,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +490,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +491,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +492,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +493,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +494,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +495,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +496,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +497,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +498,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +499,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +500,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +501,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +502,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +503,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +504,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +505,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +506,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +507,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +508,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +509,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +510,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +511,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +512,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +513,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +514,TetraBloechl,PseudoPot_66x66x66_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +515,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +516,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +517,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +518,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +519,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +520,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +521,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +522,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +523,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +524,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +525,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +526,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +527,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +528,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +529,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +530,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +531,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +532,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +533,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +534,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +535,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +536,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +537,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +538,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +539,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +540,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +541,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +542,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +543,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +544,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +545,TetraBloechl,PseudoPot_68x68x68_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +546,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +547,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +548,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +549,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +550,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +551,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +552,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +553,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +554,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +555,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +556,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +557,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +558,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +559,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +560,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +561,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +562,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +563,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +564,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +565,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +566,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +567,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +568,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +569,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +570,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +571,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +572,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +573,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +574,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +575,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +576,TetraBloechl,PseudoPot_6x6x6_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +577,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +578,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +579,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +580,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +581,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +582,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +583,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +584,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +585,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +586,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +587,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +588,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +589,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +590,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +591,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +592,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +593,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +594,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +595,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +596,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +597,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +598,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +599,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +600,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +601,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +602,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +603,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +604,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +605,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +606,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +607,TetraBloechl,PseudoPot_70x70x70_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +608,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +609,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +610,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +611,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +612,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +613,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +614,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +615,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +616,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +617,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +618,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +619,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +620,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +621,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +622,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +623,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +624,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +625,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +626,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +627,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +628,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +629,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +630,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +631,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +632,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +633,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +634,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +635,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +636,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +637,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +638,TetraBloechl,PseudoPot_8x8x8_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +639,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +640,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +641,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +642,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +643,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +644,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +645,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +646,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +647,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +648,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +649,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +650,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +651,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +652,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +653,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +654,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +655,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +656,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +657,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +658,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +659,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +660,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +661,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +662,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +663,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +664,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +665,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +666,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +667,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +668,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +669,TetraBloechl,PseudoPot_16x16x16_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +670,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +671,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +672,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +673,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +674,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +675,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +676,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +677,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +678,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +679,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +680,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +681,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +682,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +683,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +684,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +685,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +686,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +687,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +688,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +689,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +690,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +691,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +692,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +693,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +694,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +695,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +696,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +697,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +698,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +699,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +700,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +701,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +702,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +703,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +704,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +705,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +706,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +707,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +708,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +709,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +710,TetraBloechl,PseudoPot_18x18x18_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +711,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +712,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +713,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +714,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +715,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +716,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +717,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +718,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +719,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +720,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +721,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +722,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +723,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +724,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +725,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +726,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +727,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +728,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +729,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +730,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +731,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +732,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +733,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +734,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +735,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +736,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +737,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +738,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +739,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +740,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +741,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +742,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +743,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +744,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +745,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +746,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +747,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +748,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +749,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +750,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +751,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +752,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +753,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +754,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +755,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +756,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +757,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +758,TetraBloechl,PseudoPot_20x20x20_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +759,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +760,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +761,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +762,TetraBloechl,PseudoPot_10x10x10_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +763,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +764,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +765,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +766,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +767,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +768,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +769,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +770,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +771,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +772,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +773,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +774,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +775,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +776,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +777,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +778,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +779,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +780,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +781,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +782,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +783,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +784,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +785,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +786,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +787,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +788,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +789,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +790,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +791,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +792,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +793,TetraBloechl,PseudoPot_22x22x22_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +794,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +795,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +796,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +797,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +798,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +799,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +800,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +801,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +802,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +803,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +804,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +805,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +806,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +807,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +808,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +809,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +810,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +811,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +812,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +813,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +814,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +815,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +816,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +817,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +818,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +819,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +820,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +821,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +822,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +823,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +824,TetraBloechl,PseudoPot_24x24x24_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +825,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +826,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +827,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +828,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +829,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +830,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +831,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +832,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +833,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +834,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +835,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +836,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +837,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +838,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +839,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +840,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +841,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +842,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +843,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +844,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +845,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +846,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +847,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +848,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +849,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +850,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +851,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +852,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +853,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +854,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +855,TetraBloechl,PseudoPot_26x26x26_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +856,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +857,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +858,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +859,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +860,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +861,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +862,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +863,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +864,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +865,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +866,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +867,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +868,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +869,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +870,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +871,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +872,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +873,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +874,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +875,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +876,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +877,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +878,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +879,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +880,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +881,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +882,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +883,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +884,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +885,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +886,TetraBloechl,PseudoPot_28x28x28_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +887,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +888,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +889,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +890,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +891,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +892,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +893,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +894,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +895,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +896,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +897,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +898,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +899,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +900,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +901,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +902,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +903,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +904,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +905,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +906,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +907,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +908,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +909,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +910,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +911,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +912,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +913,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +914,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +915,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +916,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +917,TetraBloechl,PseudoPot_30x30x30_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +918,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +919,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +920,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +921,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +922,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +923,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +924,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +925,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +926,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +927,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +928,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +929,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +930,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +931,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +932,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +933,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +934,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +935,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +936,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +937,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +938,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +939,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +940,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +941,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +942,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +943,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +944,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +945,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +946,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +947,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +948,TetraBloechl,PseudoPot_32x32x32_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +949,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +950,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +951,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +952,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +953,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +954,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +955,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +956,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +957,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +958,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +959,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +960,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +961,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +962,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +963,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +964,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +965,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +966,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +967,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +968,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +969,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +970,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +971,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +972,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +973,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +974,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +975,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +976,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +977,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +978,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +979,TetraBloechl,PseudoPot_34x34x34_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +980,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +981,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +982,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +983,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +984,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +985,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +986,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +987,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +988,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +989,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +990,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +991,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +992,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +993,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +994,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +995,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +996,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +997,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +998,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +999,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1000,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1001,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1002,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1003,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1004,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1005,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1006,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1007,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1008,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1009,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1010,TetraBloechl,PseudoPot_36x36x36_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1011,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1012,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1013,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1014,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1015,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1016,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1017,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1018,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.6038132, -2.61238017, -2.61954339, -2.62545047, -2.63023384, -2.63384636, -2.6364133499999998, -2.63818009, -2.63899476, -2.63899785, -2.63828795]",PBE,17.9371450397394,1.09762923778523e-05,4.0,1.0,3.1601311072903906,3.1601311072903906,v0,FindHistory,18.5039823399,0.0022756889,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1019,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.69470979, -2.70075618, -2.7053979999999997, -2.70886233, -2.7111205099999998, -2.71227368, -2.71248621, -2.71173567, -2.71010109, -2.70766002, -2.70446779]",PBE,17.9371450397394,1.09762923778523e-05,6.0,1.0,0.32931673200910033,0.32931673200910033,v0,FindHistory,17.9962150596,0.0006484345,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1020,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70006827, -2.70578077, -2.71016526, -2.71333348, -2.7153094600000003, -2.71621591, -2.71608722, -2.71508076, -2.71314324, -2.71041238, -2.70690513]",PBE,17.9371450397394,1.09762923778523e-05,8.0,1.0,0.03797522094797529,0.03797522094797529,v0,FindHistory,17.9439567102,0.0005306072000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1021,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70281385, -2.70840387, -2.71266386, -2.7157055100000003, -2.71756515, -2.71832379, -2.7181311, -2.71697118, -2.71491437, -2.71204453, -2.70842217]",PBE,17.9371450397394,1.09762923778523e-05,10.0,1.0,0.08329593202428069,-0.08329593202428069,v0,FindHistory,17.9222041276,0.0005030818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1022,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017505699999997, -2.70750938, -2.71193901, -2.71509393, -2.71707654, -2.71796726, -2.71783864, -2.71666477, -2.71458944, -2.71168178, -2.7080252]",PBE,17.9371450397394,1.09762923778523e-05,12.0,1.0,0.01810663197628219,-0.01810663197628219,v0,FindHistory,17.9338972269,0.0009998291999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1023,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1024,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7017976, -2.7075684300000002, -2.71199435, -2.7151621500000003, -2.71716179, -2.7180513, -2.7179306, -2.71685424, -2.7148745400000003, -2.7120626999999997, -2.7084619400000003]",PBE,17.9371450397394,1.09762923778523e-05,14.0,1.0,0.017454055557153708,0.017454055557153708,v0,FindHistory,17.940275799000002,0.0001258595,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1025,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70186794, -2.70762155, -2.71203333, -2.71517606, -2.71716081, -2.71804864, -2.7179024800000002, -2.7167988899999997, -2.7148023500000003, -2.71195074, -2.70832468]",PBE,17.9371450397394,1.09762923778523e-05,16.0,1.0,0.0004693207264216358,-0.0004693207264216358,v0,FindHistory,17.937060857,0.000163369,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1026,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70167065, -2.70741435, -2.71181926, -2.71496867, -2.71694492, -2.71782901, -2.71768935, -2.71659308, -2.71459918, -2.7117763200000002, -2.70817628]",PBE,17.9371450397394,1.09762923778523e-05,18.0,1.0,0.0015933648301772385,0.0015933648301772385,v0,FindHistory,17.9374308439,0.0001523822,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1027,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1028,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1029,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1030,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1031,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70141729, -2.7071649, -2.71157554, -2.71472447, -2.71670272, -2.71757955, -2.71743258, -2.71632628, -2.7143222700000003, -2.71148878, -2.70787151]",PBE,17.9371450397394,1.09762923778523e-05,28.0,1.0,0.004846903102317931,-0.004846903102317931,v0,FindHistory,17.9362756437,0.00017146169999999994,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1032,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70132247, -2.7070685, -2.71147323, -2.71462212, -2.71659743, -2.7174750999999997, -2.71732725, -2.71622779, -2.7142307, -2.7114043199999998, -2.7077974]",PBE,17.9371450397394,1.09762923778523e-05,30.0,1.0,0.0032734866005600938,-0.0032734866005600938,v0,FindHistory,17.9365578697,0.0001448718,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1033,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7012756700000002, -2.70702505, -2.71143791, -2.71458777, -2.71657143, -2.71745878, -2.71732197, -2.71622925, -2.71424111, -2.71142269, -2.70782065]",PBE,17.9371450397394,1.09762923778523e-05,32.0,1.0,0.005581379078910308,0.005581379078910308,v0,FindHistory,17.9381461798,0.0001165186,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1034,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70170739, -2.7074552499999998, -2.71185118, -2.71499427, -2.71696631, -2.7178386999999997, -2.71769414, -2.7165915, -2.71458806, -2.7117594, -2.7081443099999998]",PBE,17.9371450397394,1.09762923778523e-05,20.0,1.0,0.006086003859471778,-0.006086003859471778,v0,FindHistory,17.9360533844,0.0001015207,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1035,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124262, -2.70698328, -2.7113910199999998, -2.71454342, -2.7165312200000002, -2.71741953, -2.71728381, -2.71619271, -2.71420514, -2.71138354, -2.70778366]",PBE,17.9371450397394,1.09762923778523e-05,34.0,1.0,0.008035771341576212,0.008035771341576212,v0,FindHistory,17.9385864277,0.00017719410000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1036,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70121971, -2.7069731, -2.71138546, -2.71453691, -2.71652003, -2.7174115199999997, -2.71728258, -2.7161982, -2.71422, -2.7114039500000002, -2.70780707]",PBE,17.9371450397394,1.09762923778523e-05,36.0,1.0,0.011006212840594234,0.011006212840594234,v0,FindHistory,17.9391192401,5.42172e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1037,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70122046, -2.70697185, -2.71138833, -2.71454696, -2.71653066, -2.71741709, -2.71728089, -2.71619457, -2.71421349, -2.71140022, -2.70780371]",PBE,17.9371450397394,1.09762923778523e-05,38.0,1.0,0.00815943260400772,0.00815943260400772,v0,FindHistory,17.938608609,0.0001404976,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1038,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.701231, -2.7069798, -2.7113953200000003, -2.7145517200000002, -2.71653684, -2.7174247300000003, -2.71729046, -2.71620157, -2.71421919, -2.71140483, -2.7078097999999997]",PBE,17.9371450397394,1.09762923778523e-05,40.0,1.0,0.008529631428028102,0.008529631428028102,v0,FindHistory,17.9386750121,0.0001460876,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1039,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70124609, -2.70699491, -2.71140682, -2.71456036, -2.71654323, -2.71743084, -2.71729492, -2.71620282, -2.71422033, -2.71140452, -2.70780907]",PBE,17.9371450397394,1.09762923778523e-05,42.0,1.0,0.006729686122990342,0.006729686122990342,v0,FindHistory,17.9383521533,0.0001292818,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1040,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70126415, -2.7070130900000002, -2.71142461, -2.7145766, -2.71655915, -2.71744627, -2.71731093, -2.71622178, -2.71423463, -2.71141683, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,44.0,1.0,0.006567941876978203,0.006567941876978203,v0,FindHistory,17.938323140999998,0.00011848940000000001,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1041,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70127828, -2.70702767, -2.71143997, -2.7145924, -2.71657408, -2.71745667, -2.7173156499999997, -2.7162222, -2.71423478, -2.71141365, -2.70781372]",PBE,17.9371450397394,1.09762923778523e-05,46.0,1.0,0.003036496384458558,0.003036496384458558,v0,FindHistory,17.937689700500005,0.00013567469999999998,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1042,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70128439, -2.7070324, -2.71144277, -2.71459558, -2.71657706, -2.71746437, -2.71732602, -2.71623168, -2.7142439400000002, -2.7114222, -2.70782095]",PBE,17.9371450397394,1.09762923778523e-05,48.0,1.0,0.004797928314087909,0.004797928314087909,v0,FindHistory,17.9380056511,0.0001277482,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1043,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129893, -2.70704697, -2.71145844, -2.71460999, -2.71659094, -2.71747375, -2.7173337699999998, -2.71623978, -2.71424981, -2.71142619, -2.70782406]",PBE,17.9371450397394,1.09762923778523e-05,50.0,1.0,0.002849033998836657,0.002849033998836657,v0,FindHistory,17.9376560751,0.0001264316,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1044,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130399, -2.70705143, -2.71146212, -2.71461148, -2.71659098, -2.71747302, -2.71733255, -2.71623708, -2.71424743, -2.7114239700000002, -2.70781999]",PBE,17.9371450397394,1.09762923778523e-05,52.0,1.0,0.0019131827269104223,0.0019131827269104223,v0,FindHistory,17.9374882101,0.00010830709999999996,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1045,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70161134, -2.7073537, -2.71175171, -2.71489243, -2.71686432, -2.71773942, -2.71759052, -2.71648473, -2.7144859500000003, -2.7116546599999998, -2.70804161]",PBE,17.9371450397394,1.09762923778523e-05,22.0,1.0,0.006605656233338414,-0.006605656233338414,v0,FindHistory,17.935960173599998,9.95369e-05,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1046,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.7013044600000002, -2.70705281, -2.71146408, -2.7146157300000002, -2.71659678, -2.7174792, -2.71733815, -2.71624212, -2.71425018, -2.71142736, -2.70782343]",PBE,17.9371450397394,1.09762923778523e-05,54.0,1.0,0.001944079505567053,0.001944079505567053,v0,FindHistory,17.9374937521,0.00014098799999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1047,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130728, -2.70705433, -2.71146441, -2.71461446, -2.7165949, -2.71747826, -2.71733716, -2.71624078, -2.71424796, -2.7114237, -2.70781841]",PBE,17.9371450397394,1.09762923778523e-05,56.0,1.0,0.001845146258619698,0.001845146258619698,v0,FindHistory,17.937476006300002,0.0001319384,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1048,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130896, -2.7070548800000003, -2.71146487, -2.71461496, -2.71659365, -2.71747524, -2.71733422, -2.7162370300000003, -2.71424503, -2.71141962, -2.7078140900000003]",PBE,17.9371450397394,1.09762923778523e-05,58.0,1.0,0.0010921791632292576,0.0010921791632292576,v0,FindHistory,17.9373409455,0.0001258361,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1049,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130413, -2.70705139, -2.71145905, -2.71460912, -2.71658808, -2.71746993, -2.71732834, -2.71623315, -2.71424133, -2.71141658, -2.7078113200000002]",PBE,17.9371450397394,1.09762923778523e-05,60.0,1.0,0.001421840878444955,0.001421840878444955,v0,FindHistory,17.9374000774,0.0001050443,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1050,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70130203, -2.70704895, -2.71145918, -2.71460888, -2.71658774, -2.7174684300000003, -2.7173259400000003, -2.71622967, -2.7142389, -2.71141514, -2.70781036]",PBE,17.9371450397394,1.09762923778523e-05,62.0,1.0,0.0007630309076445919,0.0007630309076445919,v0,FindHistory,17.9372819057,0.00012218140000000002,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1051,TetraBloechl,PseudoPot_38x38x38_VOLUME,VASP,Ag,"[-2.70129659, -2.70704258, -2.71145044, -2.71459938, -2.71657795, -2.7174606900000002, -2.71731953, -2.71622418, -2.71423451, -2.71141255, -2.70780954]",PBE,17.9371450397394,1.09762923778523e-05,64.0,1.0,0.0018611276201421036,0.0018611276201421036,v0,FindHistory,17.937478872899998,0.00010933319999999999,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1052,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.7015362, -2.7072808200000003, -2.71168539, -2.71483382, -2.71680519, -2.71767987, -2.71752899, -2.71642271, -2.71442435, -2.71159238, -2.70797637]",PBE,17.9371450397394,1.09762923778523e-05,24.0,1.0,0.006789267950394586,-0.006789267950394586,v0,FindHistory,17.9359272389,0.00013911,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +1053,TetraBloechl,PseudoPot_12x12x12_VOLUME,VASP,Ag,"[-2.70144942, -2.7071928400000003, -2.7116017, -2.71474852, -2.71672522, -2.7176040500000003, -2.71745479, -2.71635573, -2.71435577, -2.71152643, -2.70790842]",PBE,17.9371450397394,1.09762923778523e-05,26.0,1.0,0.00309564447502082,-0.00309564447502082,v0,FindHistory,17.9365897695,0.0001377274,"[16.9800193125, 17.1587563579, 17.3374934033, 17.5162304487, 17.6949674941, 17.8737045395, 18.0524415849, 18.2311786303, 18.4099156757, 18.5886527211, 18.7673897665]" +0,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Au,"[-3.19808572, -3.20648259, -3.21281601, -3.21721234, -3.21980397, -3.22071735, -3.22006663, -3.21794233, -3.21446521, -3.2097125, -3.20377801]",PBE,139.188821403637,0.00641911258668119,20.0,1.0,0.01343329079767165,-0.01343329079767165,B,FindHistory,139.1701237645,0.0338123061,"[17.0408667861, 17.2202443313, 17.3996218764, 17.5789994215, 17.7583769666, 17.9377545117, 18.1171320568, 18.296509602, 18.4758871471, 18.6552646922, 18.8346422373]" +1,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Au,"[-3.19774027, -3.2061206, -3.21243436, -3.2168201, -3.21940614, -3.22030552, -3.21964513, -3.21751668, -3.21402819, -3.20926831, -3.20333164]",PBE,139.188821403637,0.00641911258668119,48.0,1.0,0.058701478835053604,-0.058701478835053604,B,FindHistory,139.1071155071,0.0400777923,"[17.04262416, 17.2220202037, 17.4014162475, 17.5808122913, 17.7602083351, 17.9396043789, 18.1190004227, 18.2983964665, 18.4777925103, 18.6571885541, 18.8365845978]" +2,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Au,"[-3.197763, -3.20614979, -3.21247157, -3.21685908, -3.2194439, -3.22035071, -3.21968773, -3.21756094, -3.21407123, -3.20931356, -3.20337063]",PBE,139.188821403637,0.00641911258668119,66.0,1.0,0.006157075152005805,-0.006157075152005805,B,FindHistory,139.1802514433,0.033168758799999996,"[17.0422663093, 17.2216585863, 17.4010508632, 17.5804431402, 17.7598354171, 17.939227694, 18.118619971, 18.2980122479, 18.4774045249, 18.6567968018, 18.8361890787]" +3,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Au,"[-3.19804023, -3.2064443, -3.21277663, -3.21718879, -3.21978426, -3.22070768, -3.22006069, -3.21795135, -3.21447549, -3.20973056, -3.20381706]",PBE,139.188821403637,0.00641911258668119,16.0,1.0,0.07946646061198151,-0.07946646061198151,B,FindHistory,139.0782129737,0.0499028017,"[17.0407683951, 17.2201449045, 17.3995214139, 17.5788979234, 17.7582744328, 17.9376509422, 18.1170274516, 18.296403961, 18.4757804705, 18.6551569799, 18.8345334893]" +4,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Au,"[-3.19774836, -3.20614147, -3.21246148, -3.21685437, -3.21944322, -3.2203484700000002, -3.21968563, -3.21756388, -3.21407906, -3.20932049, -3.2033810799999998]",PBE,139.188821403637,0.00641911258668119,68.0,1.0,0.01378046091890763,-0.01378046091890763,B,FindHistory,139.1696405425,0.0305593162,"[17.0420361453, 17.2214259994, 17.4008158536, 17.5802057078, 17.7595955619, 17.9389854161, 18.1183752702, 18.2977651244, 18.4771549786, 18.6565448327, 18.8359346869]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Au,"[-3.19773689, -3.2061191, -3.2124401, -3.21682703, -3.21941192, -3.22031869, -3.21965529, -3.21752847, -3.21404155, -3.20928546, -3.20334664]",PBE,139.188821403637,0.00641911258668119,50.0,1.0,0.04491034625240074,-0.04491034625240074,B,FindHistory,139.126311222,0.0383802012,"[17.0423873852, 17.2217809366, 17.401174488, 17.5805680395, 17.7599615909, 17.9393551423, 18.1187486937, 18.2981422451, 18.4775357966, 18.656929348, 18.8363228994]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Au,"[-3.19787711, -3.20627289, -3.21259737, -3.21698687, -3.21957839, -3.22048228, -3.21981903, -3.2176906, -3.2142041900000002, -3.20944659, -3.20350984]",PBE,139.188821403637,0.00641911258668119,28.0,1.0,0.008329433029240241,0.008329433029240241,B,FindHistory,139.2004150433,0.0387254558,"[17.0418813908, 17.2212696159, 17.4006578411, 17.5800460663, 17.7594342914, 17.9388225166, 18.1182107418, 18.2975989669, 18.4769871921, 18.6563754173, 18.8357636424]" +7,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Au,"[-3.19775817, -3.20614687, -3.21246621, -3.21685672, -3.21944231, -3.22035049, -3.21968731, -3.21756067, -3.21407277, -3.20931373, -3.20337524]",PBE,139.188821403637,0.00641911258668119,64.0,1.0,0.012644182887330598,-0.012644182887330598,B,FindHistory,139.1712221145,0.0373120641,"[17.0422556925, 17.2216478577, 17.4010400229, 17.580432188, 17.7598243532, 17.9392165184, 18.1186086836, 18.2980008488, 18.477393014, 18.6567851791, 18.8361773443]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Au,"[-3.19788103, -3.20627589, -3.21260811, -3.21700182, -3.21961096, -3.22053166, -3.21988723, -3.21777777, -3.21429541, -3.20954034, -3.20359414]",PBE,139.188821403637,0.00641911258668119,24.0,1.0,0.031888437171471294,0.031888437171471294,B,FindHistory,139.23320654350002,0.02671819,"[17.0415956814, 17.2209808991, 17.4003661168, 17.5797513345, 17.7591365522, 17.9385217699, 18.1179069876, 18.2972922052, 18.4766774229, 18.6560626406, 18.8354478583]" +9,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Au,"[-3.19873065, -3.20710604, -3.21343902, -3.21782002, -3.22044518, -3.22134717, -3.2207444, -3.21870391, -3.2152998999999998, -3.2106309, -3.2047989]",PBE,139.188821403637,0.00641911258668119,8.0,1.0,1.039899333107779,-1.039899333107779,B,FindHistory,137.7413977781,0.07650751110000001,"[17.0232194039, 17.2024111871, 17.3816029703, 17.5607947535, 17.739986536700002, 17.9191783199, 18.0983701031, 18.2775618863, 18.4567536695, 18.6359454527, 18.8151372359]" +10,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Au,"[-3.19771904, -3.20610443, -3.21241965, -3.2168128400000002, -3.21939884, -3.22030558, -3.21963951, -3.21751695, -3.21403084, -3.20927239, -3.20333477]",PBE,139.188821403637,0.00641911258668119,46.0,1.0,0.04011010501705797,-0.04011010501705797,B,FindHistory,139.1329926212,0.0398743047,"[17.0422745494, 17.2216669131, 17.4010592768, 17.5804516405, 17.7598440042, 17.9392363678, 18.1186287315, 18.2980210952, 18.4774134589, 18.6568058226, 18.8361981862]" +11,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Au,"[-3.19775522, -3.20614382, -3.21246186, -3.21685172, -3.21943499, -3.22034318, -3.21967821, -3.21755629, -3.21406799, -3.20930878, -3.20336925]",PBE,139.188821403637,0.00641911258668119,60.0,1.0,0.027649847343274424,-0.027649847343274424,B,FindHistory,139.150335907,0.0306460697,"[17.0423604655, 17.2217537336, 17.4011470017, 17.5805402697, 17.7599335378, 17.9393268058, 18.1187200739, 18.298113342, 18.47750661, 18.6568998781, 18.8362931461]" +12,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Au,"[-3.19775002, -3.2061421, -3.21246178, -3.21685205, -3.21944154, -3.22034824, -3.21968443, -3.21756103, -3.21407494, -3.20931754, -3.20337881]",PBE,139.188821403637,0.00641911258668119,70.0,1.0,0.01823123199198149,-0.01823123199198149,B,FindHistory,139.1634455667,0.0333109347,"[17.0420536993, 17.2214437383, 17.4008337772, 17.5802238161, 17.7596138551, 17.939003894, 18.118393933, 18.2977839719, 18.4771740108, 18.6565640498, 18.8359540887]" +13,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Au,"[-3.19783065, -3.20621075, -3.21252294, -3.21691454, -3.21950213, -3.22040997, -3.21974447, -3.21761862, -3.21413327, -3.20937146, -3.20343259]",PBE,139.188821403637,0.00641911258668119,32.0,1.0,0.03269255194356351,-0.03269255194356351,B,FindHistory,139.1433170259,0.0448071538,"[17.0418144856, 17.2212020066, 17.4005895275, 17.5799770484, 17.7593645693, 17.9387520902, 18.1181396111, 18.297527132, 18.4769146529, 18.6563021738, 18.8356896947]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Au,"[-3.19774848, -3.20613814, -3.21246303, -3.21685129, -3.21944165, -3.22034587, -3.21968596, -3.21755941, -3.21407227, -3.20931651, -3.20337898]",PBE,139.188821403637,0.00641911258668119,62.0,1.0,0.01683517526816627,-0.01683517526816627,B,FindHistory,139.1653887216,0.0375916903,"[17.0421609059, 17.2215520734, 17.4009432408, 17.5803344082, 17.7597255757, 17.9391167431, 18.1185079105, 18.297899078, 18.4772902454, 18.6566814128, 18.8360725802]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Au,"[-3.19774476, -3.20613361, -3.21245325, -3.21684486, -3.21943075, -3.22033553, -3.21967282, -3.2175467700000002, -3.21406036, -3.20930113, -3.20336292]",PBE,139.188821403637,0.00641911258668119,54.0,1.0,0.018067738187155853,-0.018067738187155853,B,FindHistory,139.1636731318,0.0358923027,"[17.0422954987, 17.2216880829, 17.401080667, 17.5804732512, 17.7598658354, 17.9392584196, 18.1186510038, 18.298043588, 18.4774361722, 18.6568287564, 18.8362213406]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Au,"[-3.19772795, -3.20611133, -3.2124253, -3.21680892, -3.21939224, -3.22029646, -3.2196392, -3.217518, -3.21403678, -3.20928567, -3.20335702]",PBE,139.188821403637,0.00641911258668119,42.0,1.0,0.15703767345162442,-0.15703767345162442,B,FindHistory,138.9702425168,0.0276454411,"[17.0417418174, 17.2211285733, 17.4005153293, 17.5799020853, 17.7592888412, 17.9386755972, 18.1180623532, 18.2974491092, 18.4768358651, 18.6562226211, 18.8356093771]" +17,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Au,"[-3.19774705, -3.2061306800000002, -3.21244642, -3.21682735, -3.21941771, -3.220321, -3.21965952, -3.21752953, -3.21404233, -3.20927771, -3.2033389]",PBE,139.188821403637,0.00641911258668119,38.0,1.0,0.02133780898315428,-0.02133780898315428,B,FindHistory,139.1591215588,0.0389486063,"[17.0419819309, 17.2213712144, 17.4007604978, 17.5801497813, 17.7595390648, 17.9389283483, 18.1183176318, 18.2977069153, 18.4770961987, 18.6564854822, 18.8358747657]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Au,"[-3.19772085, -3.2061057, -3.21242146, -3.21680798, -3.21939512, -3.22029932, -3.21963628, -3.21751303, -3.21402803, -3.20927261, -3.20333764]",PBE,139.188821403637,0.00641911258668119,44.0,1.0,0.07994900748120748,-0.07994900748120748,B,FindHistory,139.0775413224,0.034357129,"[17.0421388998, 17.2215298356, 17.4009207714, 17.5803117071, 17.7597026429, 17.9390935787, 18.1184845145, 18.2978754503, 18.4772663861, 18.6566573219, 18.8360482577]" +19,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Au,"[-3.02441256, -3.03413797, -3.04171917, -3.04747232, -3.05143878, -3.05373269, -3.05445759, -3.05381547, -3.05189513, -3.0487406, -3.04451047]",PBE,139.188821403637,0.00641911258668119,4.0,1.0,9.449433345868773,-9.449433345868773,B,FindHistory,126.0362665002,0.2811056189,"[17.0923518953, 17.2722713889, 17.4521908826, 17.6321103762, 17.8120298698, 17.9919493635, 18.1718688571, 18.3517883508, 18.5317078444, 18.711627338, 18.8915468317]" +20,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Au,"[-3.17487002, -3.18366723, -3.19041387, -3.19517045, -3.19812307, -3.19942076, -3.19912513, -3.19735259, -3.19416613, -3.1898002500000002, -3.1842731300000002]",PBE,139.188821403637,0.00641911258668119,6.0,1.0,0.974328688799116,-0.974328688799116,B,FindHistory,137.8326647851,0.1939328648,"[17.0021041282, 17.1810736454, 17.3600431625, 17.5390126797, 17.7179821968, 17.896951713900002, 18.0759212311, 18.2548907482, 18.4338602654, 18.6128297825, 18.7917992996]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Au,"[-3.19770435, -3.20609829, -3.21242121, -3.2168123, -3.21939917, -3.22030427, -3.21964708, -3.21753064, -3.21405336, -3.20930573, -3.2033748]",PBE,139.188821403637,0.00641911258668119,40.0,1.0,0.11884166405671129,-0.11884166405671129,B,FindHistory,139.0234070921,0.021769232000000003,"[17.0411952686, 17.2205762714, 17.3999572743, 17.5793382771, 17.7587192799, 17.9381002827, 18.1174812856, 18.2968622884, 18.4762432912, 18.6556242941, 18.8350052969]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Au,"[-3.19806391, -3.20646265, -3.21279115, -3.21719293, -3.21979774, -3.22072151, -3.22008083, -3.21797494, -3.21450194, -3.20976088, -3.20383305]",PBE,139.188821403637,0.00641911258668119,18.0,1.0,0.10228257707861564,-0.10228257707861564,B,FindHistory,139.04645549010002,0.028322090900000006,"[17.0407426636, 17.2201189022, 17.3994951407, 17.5788713793, 17.7582476179, 17.9376238564, 18.117000095, 18.2963763336, 18.4757525721, 18.6551288107, 18.8345050493]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Au,"[-3.19798118, -3.20642478, -3.21279032, -3.2172295, -3.21986521, -3.22081846, -3.2201980199999998, -3.21812195, -3.21467528, -3.20995222, -3.20405337]",PBE,139.188821403637,0.00641911258668119,14.0,1.0,0.08207003772646468,-0.08207003772646468,B,FindHistory,139.07458908540002,0.033488970699999995,"[17.0403751946, 17.219747565, 17.3991199355, 17.578492306, 17.7578646764, 17.9372370469, 18.1166094174, 18.2959817879, 18.4753541583, 18.6547265288, 18.8340988993]" +24,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Au,"[-3.19774315, -3.20613104, -3.21245043, -3.2168365, -3.21942286, -3.2203264, -3.21966317, -3.21754047, -3.21405214, -3.20929622, -3.20335987]",PBE,139.188821403637,0.00641911258668119,52.0,1.0,0.053897811175130546,-0.053897811175130546,B,FindHistory,139.11380167549999,0.0320486736,"[17.042348393, 17.221741534, 17.4011346749, 17.5805278159, 17.7599209569, 17.9393140979, 18.1187072388, 18.2981003798, 18.4774935208, 18.6568866618, 18.8362798028]" +25,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Au,"[-3.19956344, -3.20811604, -3.2143409, -3.21858342, -3.22102099, -3.2218189600000002, -3.2210211, -3.21879785, -3.21520328, -3.21036678, -3.2043578999999998]",PBE,139.188821403637,0.00641911258668119,10.0,1.0,0.5657700860756205,0.5657700860756205,B,FindHistory,139.9763101183,0.257287569,"[17.0343512007, 17.2136601607, 17.3929691207, 17.5722780808, 17.7515870408, 17.9308960008, 18.1102049608, 18.2895139208, 18.4688228808, 18.6481318408, 18.8274408008]" +26,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Au,"[-3.19774645, -3.20614711, -3.21247011, -3.21686595, -3.21945512, -3.22035771, -3.21969818, -3.21758406, -3.21410538, -3.20935729, -3.20342196]",PBE,139.188821403637,0.00641911258668119,34.0,1.0,0.07684780484405346,-0.07684780484405346,B,FindHistory,139.0818578498,0.023494316100000003,"[17.0411724652, 17.220553228, 17.3999339908, 17.5793147536, 17.7586955164, 17.9380762791, 18.1174570419, 18.2968378047, 18.4762185675, 18.6555993303, 18.8349800931]" +27,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Au,"[-3.19801072, -3.2064897, -3.21290358, -3.21736138, -3.22003859, -3.22102433, -3.22044581, -3.21840619, -3.21498874, -3.21031221, -3.20437729]",PBE,139.188821403637,0.00641911258668119,12.0,1.0,0.029522222275182093,-0.029522222275182093,B,FindHistory,139.14772977040002,0.06905837719999999,"[17.0392495367, 17.2186100582, 17.3979705796, 17.577331101, 17.7566916225, 17.9360521439, 18.1154126654, 18.2947731868, 18.4741337082, 18.6534942297, 18.8328547511]" +28,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Au,"[-3.19774303, -3.20613407, -3.21245726, -3.21684823, -3.21943943, -3.22034568, -3.21967847, -3.21754868, -3.2140534, -3.20929445, -3.20335844]",PBE,139.188821403637,0.00641911258668119,36.0,1.0,0.04193366721148547,0.04193366721148547,B,FindHistory,139.2471883808,0.054908814000000014,"[17.0420695348, 17.2214597404, 17.400849946, 17.5802401516, 17.7596303573, 17.9390205629, 18.1184107685, 18.2978009742, 18.4771911798, 18.6565813854, 18.835971591]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Au,"[-3.19775013, -3.20613792, -3.21245789, -3.21684902, -3.21943671, -3.22034393, -3.21967968, -3.21755104, -3.21406196, -3.20930554, -3.2033675]",PBE,139.188821403637,0.00641911258668119,56.0,1.0,0.009344473647979513,-0.009344473647979513,B,FindHistory,139.1758149409,0.044694727300000014,"[17.0422878904, 17.2216803945, 17.4010728986, 17.5804654027, 17.7598579068, 17.9392504109, 18.118642915, 18.2980354191, 18.4774279232, 18.6568204273, 18.8362129314]" +30,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Au,"[-3.19784587, -3.20624381, -3.2125813, -3.21697785, -3.2195727, -3.22048996, -3.21983868, -3.21772566, -3.21425084, -3.20950562, -3.20357199]",PBE,139.188821403637,0.00641911258668119,26.0,1.0,0.06111876512719845,-0.06111876512719845,B,FindHistory,139.1037509148,0.0261166023,"[17.0415919127, 17.2209770907, 17.4003622687, 17.5797474468, 17.7591326248, 17.9385178028, 18.1179029809, 18.2972881589, 18.4766733369, 18.6560585149, 18.835443693]" +31,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Au,"[-3.19793436, -3.20636855, -3.21273118, -3.21715289, -3.21974663, -3.22065509, -3.21999386, -3.21787234, -3.21438428, -3.20962774, -3.20369221]",PBE,139.188821403637,0.00641911258668119,22.0,1.0,0.24774695445045525,0.24774695445045525,B,FindHistory,139.5336574696,0.047473225300000005,"[17.0404138427, 17.21978662, 17.3991593972, 17.5785321745, 17.7579049518, 17.9372777291, 18.1166505064, 18.2960232837, 18.475396061, 18.6547688383, 18.8341416156]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Au,"[-3.19776514, -3.20615103, -3.21246522, -3.21685174, -3.2194356, -3.22034169, -3.21967748, -3.21755387, -3.21406523, -3.20930379, -3.20336205]",PBE,139.188821403637,0.00641911258668119,58.0,1.0,0.032432039427999555,-0.032432039427999555,B,FindHistory,139.1436796302,0.028221978,"[17.0425157758, 17.2219106787, 17.4013055816, 17.5807004845, 17.7600953874, 17.9394902903, 18.1188851932, 18.2982800961, 18.477674999, 18.6570699019, 18.8364648048]" +33,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Au,"[-3.19786102, -3.20624981, -3.21256835, -3.2169586, -3.21954309, -3.22045033, -3.21978773, -3.21766007, -3.21416716, -3.20940765, -3.20346509]",PBE,139.188821403637,0.00641911258668119,30.0,1.0,0.015489127033048949,0.015489127033048949,B,FindHistory,139.21038053700002,0.0369592801,"[17.0421505652, 17.2215416238, 17.4009326824, 17.580323741, 17.7597147995, 17.9391058581, 18.1184969167, 18.2978879753, 18.4772790339, 18.6566700924, 18.836061151]" +0,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Au,"[-3.19808572, -3.20648259, -3.21281601, -3.21721234, -3.21980397, -3.22071735, -3.22006663, -3.21794233, -3.21446521, -3.2097125, -3.20377801]",PBE,-3.2203541549165497,2.72693568337584e-06,20.0,1.0,-0.011304495280270443,0.011304495280270443,E0,FindHistory,-3.2207181997000003,2.4382e-06,"[17.0408667861, 17.2202443313, 17.3996218764, 17.5789994215, 17.7583769666, 17.9377545117, 18.1171320568, 18.296509602, 18.4758871471, 18.6552646922, 18.8346422373]" +1,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Au,"[-3.19774027, -3.2061206, -3.21243436, -3.2168201, -3.21940614, -3.22030552, -3.21964513, -3.21751668, -3.21402819, -3.20926831, -3.20333164]",PBE,-3.2203541549165497,2.72693568337584e-06,48.0,1.0,-0.0015001522883944195,-0.0015001522883944195,E0,FindHistory,-3.2203058447000004,2.8945999999999998e-06,"[17.04262416, 17.2220202037, 17.4014162475, 17.5808122913, 17.7602083351, 17.9396043789, 18.1190004227, 18.2983964665, 18.4777925103, 18.6571885541, 18.8365845978]" +2,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Au,"[-3.197763, -3.20614979, -3.21247157, -3.21685908, -3.2194439, -3.22035071, -3.21968773, -3.21756094, -3.21407123, -3.20931356, -3.20337063]",PBE,-3.2203541549165497,2.72693568337584e-06,66.0,1.0,-0.00015997049709353265,-0.00015997049709353265,E0,FindHistory,-3.2203490033,2.395e-06,"[17.0422663093, 17.2216585863, 17.4010508632, 17.5804431402, 17.7598354171, 17.939227694, 18.118619971, 18.2980122479, 18.4774045249, 18.6567968018, 18.8361890787]" +3,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Au,"[-3.19804023, -3.2064443, -3.21277663, -3.21718879, -3.21978426, -3.22070768, -3.22006069, -3.21795135, -3.21447549, -3.20973056, -3.20381706]",PBE,-3.2203541549165497,2.72693568337584e-06,16.0,1.0,-0.010939876998073509,0.010939876998073509,E0,FindHistory,-3.2207064577,3.5939e-06,"[17.0407683951, 17.2201449045, 17.3995214139, 17.5788979234, 17.7582744328, 17.9376509422, 18.1170274516, 18.296403961, 18.4757804705, 18.6551569799, 18.8345334893]" +4,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Au,"[-3.19774836, -3.20614147, -3.21246148, -3.21685437, -3.21944322, -3.2203484700000002, -3.21968563, -3.21756388, -3.21407906, -3.20932049, -3.2033810799999998]",PBE,-3.2203541549165497,2.72693568337584e-06,68.0,1.0,-0.00019532996208688076,-0.00019532996208688076,E0,FindHistory,-3.2203478646,2.2058e-06,"[17.0420361453, 17.2214259994, 17.4008158536, 17.5802057078, 17.7595955619, 17.9389854161, 18.1183752702, 18.2977651244, 18.4771549786, 18.6565448327, 18.8359346869]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Au,"[-3.19773689, -3.2061191, -3.2124401, -3.21682703, -3.21941192, -3.22031869, -3.21965529, -3.21752847, -3.21404155, -3.20928546, -3.20334664]",PBE,-3.2203541549165497,2.72693568337584e-06,50.0,1.0,-0.0011826251001497276,-0.0011826251001497276,E0,FindHistory,-3.2203160702,2.7712000000000003e-06,"[17.0423873852, 17.2217809366, 17.401174488, 17.5805680395, 17.7599615909, 17.9393551423, 18.1187486937, 18.2981422451, 18.4775357966, 18.656929348, 18.8363228994]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Au,"[-3.19787711, -3.20627289, -3.21259737, -3.21698687, -3.21957839, -3.22048228, -3.21981903, -3.2176906, -3.2142041900000002, -3.20944659, -3.20350984]",PBE,-3.2203541549165497,2.72693568337584e-06,28.0,1.0,-0.003911976055730448,0.003911976055730448,E0,FindHistory,-3.2204801344,2.7957e-06,"[17.0418813908, 17.2212696159, 17.4006578411, 17.5800460663, 17.7594342914, 17.9388225166, 18.1182107418, 18.2975989669, 18.4769871921, 18.6563754173, 18.8357636424]" +7,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Au,"[-3.19775817, -3.20614687, -3.21246621, -3.21685672, -3.21944231, -3.22035049, -3.21968731, -3.21756067, -3.21407277, -3.20931373, -3.20337524]",PBE,-3.2203541549165497,2.72693568337584e-06,64.0,1.0,-0.00019934194317258134,-0.00019934194317258134,E0,FindHistory,-3.2203477354000003,2.6939e-06,"[17.0422556925, 17.2216478577, 17.4010400229, 17.580432188, 17.7598243532, 17.9392165184, 18.1186086836, 18.2980008488, 18.477393014, 18.6567851791, 18.8361773443]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Au,"[-3.19788103, -3.20627589, -3.21260811, -3.21700182, -3.21961096, -3.22053166, -3.21988723, -3.21777777, -3.21429541, -3.20954034, -3.20359414]",PBE,-3.2203541549165497,2.72693568337584e-06,24.0,1.0,-0.005582413449026014,0.005582413449026014,E0,FindHistory,-3.2205339284,1.9251e-06,"[17.0415956814, 17.2209808991, 17.4003661168, 17.5797513345, 17.7591365522, 17.9385217699, 18.1179069876, 18.2972922052, 18.4766774229, 18.6560626406, 18.8354478583]" +9,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Au,"[-3.19873065, -3.20710604, -3.21343902, -3.21782002, -3.22044518, -3.22134717, -3.2207444, -3.21870391, -3.2152998999999998, -3.2106309, -3.2047989]",PBE,-3.2203541549165497,2.72693568337584e-06,8.0,1.0,-0.03159218938379406,0.03159218938379406,E0,FindHistory,-3.2213715353,5.4753999999999984e-06,"[17.0232194039, 17.2024111871, 17.3816029703, 17.5607947535, 17.739986536700002, 17.9191783199, 18.0983701031, 18.2775618863, 18.4567536695, 18.6359454527, 18.8151372359]" +10,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Au,"[-3.19771904, -3.20610443, -3.21241965, -3.2168128400000002, -3.21939884, -3.22030558, -3.21963951, -3.21751695, -3.21403084, -3.20927239, -3.20333477]",PBE,-3.2203541549165497,2.72693568337584e-06,46.0,1.0,-0.001607888886087849,-0.001607888886087849,E0,FindHistory,-3.2203023752,2.8787e-06,"[17.0422745494, 17.2216669131, 17.4010592768, 17.5804516405, 17.7598440042, 17.9392363678, 18.1186287315, 18.2980210952, 18.4774134589, 18.6568058226, 18.8361981862]" +11,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Au,"[-3.19775522, -3.20614382, -3.21246186, -3.21685172, -3.21943499, -3.22034318, -3.21967821, -3.21755629, -3.21406799, -3.20930878, -3.20336925]",PBE,-3.2203541549165497,2.72693568337584e-06,60.0,1.0,-0.0004038194535212633,-0.0004038194535212633,E0,FindHistory,-3.2203411505,2.2127e-06,"[17.0423604655, 17.2217537336, 17.4011470017, 17.5805402697, 17.7599335378, 17.9393268058, 18.1187200739, 18.298113342, 18.47750661, 18.6568998781, 18.8362931461]" +12,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Au,"[-3.19775002, -3.2061421, -3.21246178, -3.21685205, -3.21944154, -3.22034824, -3.21968443, -3.21756103, -3.21407494, -3.20931754, -3.20337881]",PBE,-3.2203541549165497,2.72693568337584e-06,70.0,1.0,-0.0002530689532133605,-0.0002530689532133605,E0,FindHistory,-3.2203460052,2.4046000000000002e-06,"[17.0420536993, 17.2214437383, 17.4008337772, 17.5802238161, 17.7596138551, 17.939003894, 18.118393933, 18.2977839719, 18.4771740108, 18.6565640498, 18.8359540887]" +13,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Au,"[-3.19783065, -3.20621075, -3.21252294, -3.21691454, -3.21950213, -3.22040997, -3.21974447, -3.21761862, -3.21413327, -3.20937146, -3.20343259]",PBE,-3.2203541549165497,2.72693568337584e-06,32.0,1.0,-0.001596923225721964,0.001596923225721964,E0,FindHistory,-3.2204055815,3.2351e-06,"[17.0418144856, 17.2212020066, 17.4005895275, 17.5799770484, 17.7593645693, 17.9387520902, 18.1181396111, 18.297527132, 18.4769146529, 18.6563021738, 18.8356896947]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Au,"[-3.19774848, -3.20613814, -3.21246303, -3.21685129, -3.21944165, -3.22034587, -3.21968596, -3.21755941, -3.21407227, -3.20931651, -3.20337898]",PBE,-3.2203541549165497,2.72693568337584e-06,62.0,1.0,-0.0002767682099836632,-0.0002767682099836632,E0,FindHistory,-3.220345242,2.7136e-06,"[17.0421609059, 17.2215520734, 17.4009432408, 17.5803344082, 17.7597255757, 17.9391167431, 18.1185079105, 18.297899078, 18.4772902454, 18.6566814128, 18.8360725802]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Au,"[-3.19774476, -3.20613361, -3.21245325, -3.21684486, -3.21943075, -3.22033553, -3.21967282, -3.2175467700000002, -3.21406036, -3.20930113, -3.20336292]",PBE,-3.2203541549165497,2.72693568337584e-06,54.0,1.0,-0.0006158613492763001,-0.0006158613492763001,E0,FindHistory,-3.220334322,2.5914000000000003e-06,"[17.0422954987, 17.2216880829, 17.401080667, 17.5804732512, 17.7598658354, 17.9392584196, 18.1186510038, 18.298043588, 18.4774361722, 18.6568287564, 18.8362213406]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Au,"[-3.19772795, -3.20611133, -3.2124253, -3.21680892, -3.21939224, -3.22029646, -3.2196392, -3.217518, -3.21403678, -3.20928567, -3.20335702]",PBE,-3.2203541549165497,2.72693568337584e-06,42.0,1.0,-0.0017571178146151244,-0.0017571178146151244,E0,FindHistory,-3.2202975695,1.9954e-06,"[17.0417418174, 17.2211285733, 17.4005153293, 17.5799020853, 17.7592888412, 17.9386755972, 18.1180623532, 18.2974491092, 18.4768358651, 18.6562226211, 18.8356093771]" +17,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Au,"[-3.19774705, -3.2061306800000002, -3.21244642, -3.21682735, -3.21941771, -3.220321, -3.21965952, -3.21752953, -3.21404233, -3.20927771, -3.2033389]",PBE,-3.2203541549165497,2.72693568337584e-06,38.0,1.0,-0.0010778167518125012,-0.0010778167518125012,E0,FindHistory,-3.2203194454000004,2.8128e-06,"[17.0419819309, 17.2213712144, 17.4007604978, 17.5801497813, 17.7595390648, 17.9389283483, 18.1183176318, 18.2977069153, 18.4770961987, 18.6564854822, 18.8358747657]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Au,"[-3.19772085, -3.2061057, -3.21242146, -3.21680798, -3.21939512, -3.22029932, -3.21963628, -3.21751303, -3.21402803, -3.20927261, -3.20333764]",PBE,-3.2203541549165497,2.72693568337584e-06,44.0,1.0,-0.0017520438385138423,-0.0017520438385138423,E0,FindHistory,-3.2202977329,2.4805000000000002e-06,"[17.0421388998, 17.2215298356, 17.4009207714, 17.5803117071, 17.7597026429, 17.9390935787, 18.1184845145, 18.2978754503, 18.4772663861, 18.6566573219, 18.8360482577]" +19,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Au,"[-3.02441256, -3.03413797, -3.04171917, -3.04747232, -3.05143878, -3.05373269, -3.05445759, -3.05381547, -3.05189513, -3.0487406, -3.04451047]",PBE,-3.2203541549165497,2.72693568337584e-06,4.0,1.0,-5.151119458811454,-5.151119458811454,E0,FindHistory,-3.0544698654,1.39453e-05,"[17.0923518953, 17.2722713889, 17.4521908826, 17.6321103762, 17.8120298698, 17.9919493635, 18.1718688571, 18.3517883508, 18.5317078444, 18.711627338, 18.8915468317]" +20,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Au,"[-3.17487002, -3.18366723, -3.19041387, -3.19517045, -3.19812307, -3.19942076, -3.19912513, -3.19735259, -3.19416613, -3.1898002500000002, -3.1842731300000002]",PBE,-3.2203541549165497,2.72693568337584e-06,6.0,1.0,-0.648514433875697,-0.648514433875697,E0,FindHistory,-3.1994696934,1.29577e-05,"[17.0021041282, 17.1810736454, 17.3600431625, 17.5390126797, 17.7179821968, 17.896951713900002, 18.0759212311, 18.2548907482, 18.4338602654, 18.6128297825, 18.7917992996]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Au,"[-3.19770435, -3.20609829, -3.21242121, -3.2168123, -3.21939917, -3.22030427, -3.21964708, -3.21753064, -3.21405336, -3.20930573, -3.2033748]",PBE,-3.2203541549165497,2.72693568337584e-06,40.0,1.0,-0.0014777976042515692,-0.0014777976042515692,E0,FindHistory,-3.2203065646,1.5703999999999996e-06,"[17.0411952686, 17.2205762714, 17.3999572743, 17.5793382771, 17.7587192799, 17.9381002827, 18.1174812856, 18.2968622884, 18.4762432912, 18.6556242941, 18.8350052969]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Au,"[-3.19806391, -3.20646265, -3.21279115, -3.21719293, -3.21979774, -3.22072151, -3.22008083, -3.21797494, -3.21450194, -3.20976088, -3.20383305]",PBE,-3.2203541549165497,2.72693568337584e-06,18.0,1.0,-0.011457863505069821,0.011457863505069821,E0,FindHistory,-3.2207231387,2.0391e-06,"[17.0407426636, 17.2201189022, 17.3994951407, 17.5788713793, 17.7582476179, 17.9376238564, 18.117000095, 18.2963763336, 18.4757525721, 18.6551288107, 18.8345050493]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Au,"[-3.19798118, -3.20642478, -3.21279032, -3.2172295, -3.21986521, -3.22081846, -3.2201980199999998, -3.21812195, -3.21467528, -3.20995222, -3.20405337]",PBE,-3.2203541549165497,2.72693568337584e-06,14.0,1.0,-0.014477208438049336,0.014477208438049336,E0,FindHistory,-3.2208203723000004,2.3998e-06,"[17.0403751946, 17.219747565, 17.3991199355, 17.578492306, 17.7578646764, 17.9372370469, 18.1166094174, 18.2959817879, 18.4753541583, 18.6547265288, 18.8340988993]" +24,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Au,"[-3.19774315, -3.20613104, -3.21245043, -3.2168365, -3.21942286, -3.2203264, -3.21966317, -3.21754047, -3.21405214, -3.20929622, -3.20335987]",PBE,-3.2203541549165497,2.72693568337584e-06,52.0,1.0,-0.0008850305022022967,-0.0008850305022022967,E0,FindHistory,-3.2203256538,2.314e-06,"[17.042348393, 17.221741534, 17.4011346749, 17.5805278159, 17.7599209569, 17.9393140979, 18.1187072388, 18.2981003798, 18.4774935208, 18.6568866618, 18.8362798028]" +25,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Au,"[-3.19956344, -3.20811604, -3.2143409, -3.21858342, -3.22102099, -3.2218189600000002, -3.2210211, -3.21879785, -3.21520328, -3.21036678, -3.2043578999999998]",PBE,-3.2203541549165497,2.72693568337584e-06,10.0,1.0,-0.04573964267879023,0.04573964267879023,E0,FindHistory,-3.2218271334,1.88469e-05,"[17.0343512007, 17.2136601607, 17.3929691207, 17.5722780808, 17.7515870408, 17.9308960008, 18.1102049608, 18.2895139208, 18.4688228808, 18.6481318408, 18.8274408008]" +26,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Au,"[-3.19774645, -3.20614711, -3.21247011, -3.21686595, -3.21945512, -3.22035771, -3.21969818, -3.21758406, -3.21410538, -3.20935729, -3.20342196]",PBE,-3.2203541549165497,2.72693568337584e-06,34.0,1.0,-0.0002038217889817044,0.0002038217889817044,E0,FindHistory,-3.2203607187,1.6948e-06,"[17.0411724652, 17.220553228, 17.3999339908, 17.5793147536, 17.7586955164, 17.9380762791, 18.1174570419, 18.2968378047, 18.4762185675, 18.6555993303, 18.8349800931]" +27,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Au,"[-3.19801072, -3.2064897, -3.21290358, -3.21736138, -3.22003859, -3.22102433, -3.22044581, -3.21840619, -3.21498874, -3.21031221, -3.20437729]",PBE,-3.2203541549165497,2.72693568337584e-06,12.0,1.0,-0.02131504643370478,0.02131504643370478,E0,FindHistory,-3.2210405749,4.9191e-06,"[17.0392495367, 17.2186100582, 17.3979705796, 17.577331101, 17.7566916225, 17.9360521439, 18.1154126654, 18.2947731868, 18.4741337082, 18.6534942297, 18.8328547511]" +28,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Au,"[-3.19774303, -3.20613407, -3.21245726, -3.21684823, -3.21943943, -3.22034568, -3.21967847, -3.21754868, -3.2140534, -3.20929445, -3.20335844]",PBE,-3.2203541549165497,2.72693568337584e-06,36.0,1.0,-0.00044043964941107384,-0.00044043964941107384,E0,FindHistory,-3.2203399712,3.965e-06,"[17.0420695348, 17.2214597404, 17.400849946, 17.5802401516, 17.7596303573, 17.9390205629, 18.1184107685, 18.2978009742, 18.4771911798, 18.6565813854, 18.835971591]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Au,"[-3.19775013, -3.20613792, -3.21245789, -3.21684902, -3.21943671, -3.22034393, -3.21967968, -3.21755104, -3.21406196, -3.20930554, -3.2033675]",PBE,-3.2203541549165497,2.72693568337584e-06,56.0,1.0,-0.00044222206206207627,-0.00044222206206207627,E0,FindHistory,-3.2203399138,3.227e-06,"[17.0422878904, 17.2216803945, 17.4010728986, 17.5804654027, 17.7598579068, 17.9392504109, 18.118642915, 18.2980354191, 18.4774279232, 18.6568204273, 18.8362129314]" +30,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Au,"[-3.19784587, -3.20624381, -3.2125813, -3.21697785, -3.2195727, -3.22048996, -3.21983868, -3.21772566, -3.21425084, -3.20950562, -3.20357199]",PBE,-3.2203541549165497,2.72693568337584e-06,26.0,1.0,-0.004244691014542348,0.004244691014542348,E0,FindHistory,-3.220490849,1.8822e-06,"[17.0415919127, 17.2209770907, 17.4003622687, 17.5797474468, 17.7591326248, 17.9385178028, 18.1179029809, 18.2972881589, 18.4766733369, 18.6560585149, 18.835443693]" +31,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Au,"[-3.19793436, -3.20636855, -3.21273118, -3.21715289, -3.21974663, -3.22065509, -3.21999386, -3.21787234, -3.21438428, -3.20962774, -3.20369221]",PBE,-3.2203541549165497,2.72693568337584e-06,22.0,1.0,-0.009385846056362512,0.009385846056362512,E0,FindHistory,-3.2206564124,3.4226e-06,"[17.0404138427, 17.21978662, 17.3991593972, 17.5785321745, 17.7579049518, 17.9372777291, 18.1166505064, 18.2960232837, 18.475396061, 18.6547688383, 18.8341416156]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Au,"[-3.19776514, -3.20615103, -3.21246522, -3.21685174, -3.2194356, -3.22034169, -3.21967748, -3.21755387, -3.21406523, -3.20930379, -3.20336205]",PBE,-3.2203541549165497,2.72693568337584e-06,58.0,1.0,-0.0004277267619325929,-0.0004277267619325929,E0,FindHistory,-3.2203403806,2.0380000000000002e-06,"[17.0425157758, 17.2219106787, 17.4013055816, 17.5807004845, 17.7600953874, 17.9394902903, 18.1188851932, 18.2982800961, 18.477674999, 18.6570699019, 18.8364648048]" +33,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Au,"[-3.19786102, -3.20624981, -3.21256835, -3.2169586, -3.21954309, -3.22045033, -3.21978773, -3.21766007, -3.21416716, -3.20940765, -3.20346509]",PBE,-3.2203541549165497,2.72693568337584e-06,30.0,1.0,-0.0029245225499933475,0.0029245225499933475,E0,FindHistory,-3.2204483349,2.6689e-06,"[17.0421505652, 17.2215416238, 17.4009326824, 17.580323741, 17.7597147995, 17.9391058581, 18.1184969167, 18.2978879753, 18.4772790339, 18.6566700924, 18.836061151]" +0,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Au,"[-3.19808572, -3.20648259, -3.21281601, -3.21721234, -3.21980397, -3.22071735, -3.22006663, -3.21794233, -3.21446521, -3.2097125, -3.20377801]",PBE,5.959758638275571,0.00320218175027734,20.0,1.0,0.07114506445275025,0.07114506445275025,dB,FindHistory,5.9639987124000005,0.0256399695,"[17.0408667861, 17.2202443313, 17.3996218764, 17.5789994215, 17.7583769666, 17.9377545117, 18.1171320568, 18.296509602, 18.4758871471, 18.6552646922, 18.8346422373]" +1,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Au,"[-3.19774027, -3.2061206, -3.21243436, -3.2168201, -3.21940614, -3.22030552, -3.21964513, -3.21751668, -3.21402819, -3.20926831, -3.20333164]",PBE,5.959758638275571,0.00320218175027734,48.0,1.0,0.138472275077877,-0.138472275077877,dB,FindHistory,5.9515060249000005,0.0304710212,"[17.04262416, 17.2220202037, 17.4014162475, 17.5808122913, 17.7602083351, 17.9396043789, 18.1190004227, 18.2983964665, 18.4777925103, 18.6571885541, 18.8365845978]" +2,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Au,"[-3.197763, -3.20614979, -3.21247157, -3.21685908, -3.2194439, -3.22035071, -3.21968773, -3.21756094, -3.21407123, -3.20931356, -3.20337063]",PBE,5.959758638275571,0.00320218175027734,66.0,1.0,0.09146525063217556,-0.09146525063217556,dB,FindHistory,5.9543075300999995,0.025197773000000003,"[17.0422663093, 17.2216585863, 17.4010508632, 17.5804431402, 17.7598354171, 17.939227694, 18.118619971, 18.2980122479, 18.4774045249, 18.6567968018, 18.8361890787]" +3,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Au,"[-3.19804023, -3.2064443, -3.21277663, -3.21718879, -3.21978426, -3.22070768, -3.22006069, -3.21795135, -3.21447549, -3.20973056, -3.20381706]",PBE,5.959758638275571,0.00320218175027734,16.0,1.0,0.26164154072087,0.26164154072087,dB,FindHistory,5.9753518426,0.037797957,"[17.0407683951, 17.2201449045, 17.3995214139, 17.5788979234, 17.7582744328, 17.9376509422, 18.1170274516, 18.296403961, 18.4757804705, 18.6551569799, 18.8345334893]" +4,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Au,"[-3.19774836, -3.20614147, -3.21246148, -3.21685437, -3.21944322, -3.2203484700000002, -3.21968563, -3.21756388, -3.21407906, -3.20932049, -3.2033810799999998]",PBE,5.959758638275571,0.00320218175027734,68.0,1.0,0.05432771729435885,0.05432771729435885,dB,FindHistory,5.962996439099999,0.0232049687,"[17.0420361453, 17.2214259994, 17.4008158536, 17.5802057078, 17.7595955619, 17.9389854161, 18.1183752702, 18.2977651244, 18.4771549786, 18.6565448327, 18.8359346869]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Au,"[-3.19773689, -3.2061191, -3.2124401, -3.21682703, -3.21941192, -3.22031869, -3.21965529, -3.21752847, -3.21404155, -3.20928546, -3.20334664]",PBE,5.959758638275571,0.00320218175027734,50.0,1.0,0.035243126493114195,-0.035243126493114195,dB,FindHistory,5.957658232999999,0.0291653433,"[17.0423873852, 17.2217809366, 17.401174488, 17.5805680395, 17.7599615909, 17.9393551423, 18.1187486937, 18.2981422451, 18.4775357966, 18.656929348, 18.8363228994]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Au,"[-3.19787711, -3.20627289, -3.21259737, -3.21698687, -3.21957839, -3.22048228, -3.21981903, -3.2176906, -3.2142041900000002, -3.20944659, -3.20350984]",PBE,5.959758638275571,0.00320218175027734,28.0,1.0,0.526360220747231,0.526360220747231,dB,FindHistory,5.991128437,0.0294037017,"[17.0418813908, 17.2212696159, 17.4006578411, 17.5800460663, 17.7594342914, 17.9388225166, 18.1182107418, 18.2975989669, 18.4769871921, 18.6563754173, 18.8357636424]" +7,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Au,"[-3.19775817, -3.20614687, -3.21246621, -3.21685672, -3.21944231, -3.22035049, -3.21968731, -3.21756067, -3.21407277, -3.20931373, -3.20337524]",PBE,5.959758638275571,0.00320218175027734,64.0,1.0,0.042371252408664024,-0.042371252408664024,dB,FindHistory,5.9572334139,0.0283420761,"[17.0422556925, 17.2216478577, 17.4010400229, 17.580432188, 17.7598243532, 17.9392165184, 18.1186086836, 18.2980008488, 18.477393014, 18.6567851791, 18.8361773443]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Au,"[-3.19788103, -3.20627589, -3.21260811, -3.21700182, -3.21961096, -3.22053166, -3.21988723, -3.21777777, -3.21429541, -3.20954034, -3.20359414]",PBE,5.959758638275571,0.00320218175027734,24.0,1.0,2.009521917656438,-2.009521917656438,dB,FindHistory,5.8399959822000005,0.0202319364,"[17.0415956814, 17.2209808991, 17.4003661168, 17.5797513345, 17.7591365522, 17.9385217699, 18.1179069876, 18.2972922052, 18.4766774229, 18.6560626406, 18.8354478583]" +9,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Au,"[-3.19873065, -3.20710604, -3.21343902, -3.21782002, -3.22044518, -3.22134717, -3.2207444, -3.21870391, -3.2152998999999998, -3.2106309, -3.2047989]",PBE,5.959758638275571,0.00320218175027734,8.0,1.0,2.316604505386094,2.316604505386094,dB,FindHistory,6.0978226754,0.0580578616,"[17.0232194039, 17.2024111871, 17.3816029703, 17.5607947535, 17.739986536700002, 17.9191783199, 18.0983701031, 18.2775618863, 18.4567536695, 18.6359454527, 18.8151372359]" +10,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Au,"[-3.19771904, -3.20610443, -3.21241965, -3.2168128400000002, -3.21939884, -3.22030558, -3.21963951, -3.21751695, -3.21403084, -3.20927239, -3.20333477]",PBE,5.959758638275571,0.00320218175027734,46.0,1.0,0.128096824702609,-0.128096824702609,dB,FindHistory,5.9521243767000005,0.030294762700000002,"[17.0422745494, 17.2216669131, 17.4010592768, 17.5804516405, 17.7598440042, 17.9392363678, 18.1186287315, 18.2980210952, 18.4774134589, 18.6568058226, 18.8361981862]" +11,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Au,"[-3.19775522, -3.20614382, -3.21246186, -3.21685172, -3.21943499, -3.22034318, -3.21967821, -3.21755629, -3.21406799, -3.20930878, -3.20336925]",PBE,5.959758638275571,0.00320218175027734,60.0,1.0,0.07446641961416844,-0.07446641961416844,dB,FindHistory,5.955320619400001,0.0232822814,"[17.0423604655, 17.2217537336, 17.4011470017, 17.5805402697, 17.7599335378, 17.9393268058, 18.1187200739, 18.298113342, 18.47750661, 18.6568998781, 18.8362931461]" +12,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Au,"[-3.19775002, -3.2061421, -3.21246178, -3.21685205, -3.21944154, -3.22034824, -3.21968443, -3.21756103, -3.21407494, -3.20931754, -3.20337881]",PBE,5.959758638275571,0.00320218175027734,70.0,1.0,0.057813600072667524,0.057813600072667524,dB,FindHistory,5.9632041893,0.0252976031,"[17.0420536993, 17.2214437383, 17.4008337772, 17.5802238161, 17.7596138551, 17.939003894, 18.118393933, 18.2977839719, 18.4771740108, 18.6565640498, 18.8359540887]" +13,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Au,"[-3.19783065, -3.20621075, -3.21252294, -3.21691454, -3.21950213, -3.22040997, -3.21974447, -3.21761862, -3.21413327, -3.20937146, -3.20343259]",PBE,5.959758638275571,0.00320218175027734,32.0,1.0,0.6026143398646561,-0.6026143398646561,dB,FindHistory,5.9238442781,0.0340453841,"[17.0418144856, 17.2212020066, 17.4005895275, 17.5799770484, 17.7593645693, 17.9387520902, 18.1181396111, 18.297527132, 18.4769146529, 18.6563021738, 18.8356896947]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Au,"[-3.19774848, -3.20613814, -3.21246303, -3.21685129, -3.21944165, -3.22034587, -3.21968596, -3.21755941, -3.21407227, -3.20931651, -3.20337898]",PBE,5.959758638275571,0.00320218175027734,62.0,1.0,0.18870267249082967,0.18870267249082967,dB,FindHistory,5.9710048621,0.028548378000000006,"[17.0421609059, 17.2215520734, 17.4009432408, 17.5803344082, 17.7597255757, 17.9391167431, 18.1185079105, 18.297899078, 18.4772902454, 18.6566814128, 18.8360725802]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Au,"[-3.19774476, -3.20613361, -3.21245325, -3.21684486, -3.21943075, -3.22033553, -3.21967282, -3.2175467700000002, -3.21406036, -3.20930113, -3.20336292]",PBE,5.959758638275571,0.00320218175027734,54.0,1.0,0.09602601836381319,0.09602601836381319,dB,FindHistory,5.9654815572,0.0272636869,"[17.0422954987, 17.2216880829, 17.401080667, 17.5804732512, 17.7598658354, 17.9392584196, 18.1186510038, 18.298043588, 18.4774361722, 18.6568287564, 18.8362213406]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Au,"[-3.19772795, -3.20611133, -3.2124253, -3.21680892, -3.21939224, -3.22029646, -3.2196392, -3.217518, -3.21403678, -3.20928567, -3.20335702]",PBE,5.959758638275571,0.00320218175027734,42.0,1.0,0.22843518589820586,0.22843518589820586,dB,FindHistory,5.973372824,0.0210215127,"[17.0417418174, 17.2211285733, 17.4005153293, 17.5799020853, 17.7592888412, 17.9386755972, 18.1180623532, 18.2974491092, 18.4768358651, 18.6562226211, 18.8356093771]" +17,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Au,"[-3.19774705, -3.2061306800000002, -3.21244642, -3.21682735, -3.21941771, -3.220321, -3.21965952, -3.21752953, -3.21404233, -3.20927771, -3.2033389]",PBE,5.959758638275571,0.00320218175027734,38.0,1.0,0.4065506683435298,-0.4065506683435298,dB,FindHistory,5.9355291997,0.0296000881,"[17.0419819309, 17.2213712144, 17.4007604978, 17.5801497813, 17.7595390648, 17.9389283483, 18.1183176318, 18.2977069153, 18.4770961987, 18.6564854822, 18.8358747657]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Au,"[-3.19772085, -3.2061057, -3.21242146, -3.21680798, -3.21939512, -3.22029932, -3.21963628, -3.21751303, -3.21402803, -3.20927261, -3.20333764]",PBE,5.959758638275571,0.00320218175027734,44.0,1.0,0.06795903274366133,0.06795903274366133,dB,FindHistory,5.9638088326,0.026112847,"[17.0421388998, 17.2215298356, 17.4009207714, 17.5803117071, 17.7597026429, 17.9390935787, 18.1184845145, 18.2978754503, 18.4772663861, 18.6566573219, 18.8360482577]" +19,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Au,"[-3.02441256, -3.03413797, -3.04171917, -3.04747232, -3.05143878, -3.05373269, -3.05445759, -3.05381547, -3.05189513, -3.0487406, -3.04451047]",PBE,5.959758638275571,0.00320218175027734,4.0,1.0,14.067205227744061,14.067205227744061,dB,FindHistory,6.798130117,0.137891494,"[17.0923518953, 17.2722713889, 17.4521908826, 17.6321103762, 17.8120298698, 17.9919493635, 18.1718688571, 18.3517883508, 18.5317078444, 18.711627338, 18.8915468317]" +20,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Au,"[-3.17487002, -3.18366723, -3.19041387, -3.19517045, -3.19812307, -3.19942076, -3.19912513, -3.19735259, -3.19416613, -3.1898002500000002, -3.1842731300000002]",PBE,5.959758638275571,0.00320218175027734,6.0,1.0,4.189320440276602,4.189320440276602,dB,FindHistory,6.2094320251,0.1338579667,"[17.0021041282, 17.1810736454, 17.3600431625, 17.5390126797, 17.7179821968, 17.896951713900002, 18.0759212311, 18.2548907482, 18.4338602654, 18.6128297825, 18.7917992996]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Au,"[-3.19770435, -3.20609829, -3.21242121, -3.2168123, -3.21939917, -3.22030427, -3.21964708, -3.21753064, -3.21405336, -3.20930573, -3.2033748]",PBE,5.959758638275571,0.00320218175027734,40.0,1.0,0.6364115566835097,0.6364115566835097,dB,FindHistory,5.9976872310000005,0.0165337136,"[17.0411952686, 17.2205762714, 17.3999572743, 17.5793382771, 17.7587192799, 17.9381002827, 18.1174812856, 18.2968622884, 18.4762432912, 18.6556242941, 18.8350052969]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Au,"[-3.19806391, -3.20646265, -3.21279115, -3.21719293, -3.21979774, -3.22072151, -3.22008083, -3.21797494, -3.21450194, -3.20976088, -3.20383305]",PBE,5.959758638275571,0.00320218175027734,18.0,1.0,1.004166265915886,-1.004166265915886,dB,FindHistory,5.8999127525,0.0214513846,"[17.0407426636, 17.2201189022, 17.3994951407, 17.5788713793, 17.7582476179, 17.9376238564, 18.117000095, 18.2963763336, 18.4757525721, 18.6551288107, 18.8345050493]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Au,"[-3.19798118, -3.20642478, -3.21279032, -3.2172295, -3.21986521, -3.22081846, -3.2201980199999998, -3.21812195, -3.21467528, -3.20995222, -3.20405337]",PBE,5.959758638275571,0.00320218175027734,14.0,1.0,0.36865678979791233,-0.36865678979791233,dB,FindHistory,5.9377875834000005,0.025189462000000003,"[17.0403751946, 17.219747565, 17.3991199355, 17.578492306, 17.7578646764, 17.9372370469, 18.1166094174, 18.2959817879, 18.4753541583, 18.6547265288, 18.8340988993]" +24,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Au,"[-3.19774315, -3.20613104, -3.21245043, -3.2168365, -3.21942286, -3.2203264, -3.21966317, -3.21754047, -3.21405214, -3.20929622, -3.20335987]",PBE,5.959758638275571,0.00320218175027734,52.0,1.0,0.23130983922560175,0.23130983922560175,dB,FindHistory,5.9735441464,0.0243539398,"[17.042348393, 17.221741534, 17.4011346749, 17.5805278159, 17.7599209569, 17.9393140979, 18.1187072388, 18.2981003798, 18.4774935208, 18.6568866618, 18.8362798028]" +25,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Au,"[-3.19956344, -3.20811604, -3.2143409, -3.21858342, -3.22102099, -3.2218189600000002, -3.2210211, -3.21879785, -3.21520328, -3.21036678, -3.2043578999999998]",PBE,5.959758638275571,0.00320218175027734,10.0,1.0,15.219911392030557,15.219911392030557,dB,FindHistory,6.8668286222,0.1984730148,"[17.0343512007, 17.2136601607, 17.3929691207, 17.5722780808, 17.7515870408, 17.9308960008, 18.1102049608, 18.2895139208, 18.4688228808, 18.6481318408, 18.8274408008]" +26,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Au,"[-3.19774645, -3.20614711, -3.21247011, -3.21686595, -3.21945512, -3.22035771, -3.21969818, -3.21758406, -3.21410538, -3.20935729, -3.20342196]",PBE,5.959758638275571,0.00320218175027734,34.0,1.0,0.7695199840794106,0.7695199840794106,dB,FindHistory,6.005620172,0.017835509200000002,"[17.0411724652, 17.220553228, 17.3999339908, 17.5793147536, 17.7586955164, 17.9380762791, 18.1174570419, 18.2968378047, 18.4762185675, 18.6555993303, 18.8349800931]" +27,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Au,"[-3.19801072, -3.2064897, -3.21290358, -3.21736138, -3.22003859, -3.22102433, -3.22044581, -3.21840619, -3.21498874, -3.21031221, -3.20437729]",PBE,5.959758638275571,0.00320218175027734,12.0,1.0,2.6291429600730973,-2.6291429600730973,dB,FindHistory,5.8030680636000005,0.051502906,"[17.0392495367, 17.2186100582, 17.3979705796, 17.577331101, 17.7566916225, 17.9360521439, 18.1154126654, 18.2947731868, 18.4741337082, 18.6534942297, 18.8328547511]" +28,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Au,"[-3.19774303, -3.20613407, -3.21245726, -3.21684823, -3.21943943, -3.22034568, -3.21967847, -3.21754868, -3.2140534, -3.20929445, -3.20335844]",PBE,5.959758638275571,0.00320218175027734,36.0,1.0,0.31075012510554584,0.31075012510554584,dB,FindHistory,5.978278595700001,0.0416940658,"[17.0420695348, 17.2214597404, 17.400849946, 17.5802401516, 17.7596303573, 17.9390205629, 18.1184107685, 18.2978009742, 18.4771911798, 18.6565813854, 18.835971591]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Au,"[-3.19775013, -3.20613792, -3.21245789, -3.21684902, -3.21943671, -3.22034393, -3.21967968, -3.21755104, -3.21406196, -3.20930554, -3.2033675]",PBE,5.959758638275571,0.00320218175027734,56.0,1.0,0.09153036482712522,0.09153036482712522,dB,FindHistory,5.965213627100001,0.0339490464,"[17.0422878904, 17.2216803945, 17.4010728986, 17.5804654027, 17.7598579068, 17.9392504109, 18.118642915, 18.2980354191, 18.4774279232, 18.6568204273, 18.8362129314]" +30,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Au,"[-3.19784587, -3.20624381, -3.2125813, -3.21697785, -3.2195727, -3.22048996, -3.21983868, -3.21772566, -3.21425084, -3.20950562, -3.20357199]",PBE,5.959758638275571,0.00320218175027734,26.0,1.0,0.03212695917133383,0.03212695917133383,dB,FindHistory,5.9616733275,0.0197969981,"[17.0415919127, 17.2209770907, 17.4003622687, 17.5797474468, 17.7591326248, 17.9385178028, 18.1179029809, 18.2972881589, 18.4766733369, 18.6560585149, 18.835443693]" +31,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Au,"[-3.19793436, -3.20636855, -3.21273118, -3.21715289, -3.21974663, -3.22065509, -3.21999386, -3.21787234, -3.21438428, -3.20962774, -3.20369221]",PBE,5.959758638275571,0.00320218175027734,22.0,1.0,2.3694594478626185,2.3694594478626185,dB,FindHistory,6.1009727024,0.0358876662,"[17.0404138427, 17.21978662, 17.3991593972, 17.5785321745, 17.7579049518, 17.9372777291, 18.1166505064, 18.2960232837, 18.475396061, 18.6547688383, 18.8341416156]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Au,"[-3.19776514, -3.20615103, -3.21246522, -3.21685174, -3.2194356, -3.22034169, -3.21967748, -3.21755387, -3.21406523, -3.20930379, -3.20336205]",PBE,5.959758638275571,0.00320218175027734,58.0,1.0,0.33949123284339394,-0.33949123284339394,dB,FindHistory,5.9395257801999986,0.0214473701,"[17.0425157758, 17.2219106787, 17.4013055816, 17.5807004845, 17.7600953874, 17.9394902903, 18.1188851932, 18.2982800961, 18.477674999, 18.6570699019, 18.8364648048]" +33,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Au,"[-3.19786102, -3.20624981, -3.21256835, -3.2169586, -3.21954309, -3.22045033, -3.21978773, -3.21766007, -3.21416716, -3.20940765, -3.20346509]",PBE,5.959758638275571,0.00320218175027734,30.0,1.0,0.1922534715078066,-0.1922534715078066,dB,FindHistory,5.9483007954,0.028072998300000002,"[17.0421505652, 17.2215416238, 17.4009326824, 17.580323741, 17.7597147995, 17.9391058581, 18.1184969167, 18.2978879753, 18.4772790339, 18.6566700924, 18.836061151]" +0,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Au,"[-3.19808572, -3.20648259, -3.21281601, -3.21721234, -3.21980397, -3.22071735, -3.22006663, -3.21794233, -3.21446521, -3.2097125, -3.20377801]",PBE,17.9511049266177,4.03762788331019e-05,20.0,1.0,0.0032326763175470874,-0.0032326763175470874,v0,FindHistory,17.950524625499998,0.0001475398,"[17.0408667861, 17.2202443313, 17.3996218764, 17.5789994215, 17.7583769666, 17.9377545117, 18.1171320568, 18.296509602, 18.4758871471, 18.6552646922, 18.8346422373]" +1,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Au,"[-3.19774027, -3.2061206, -3.21243436, -3.2168201, -3.21940614, -3.22030552, -3.21964513, -3.21751668, -3.21402819, -3.20926831, -3.20333164]",PBE,17.9511049266177,4.03762788331019e-05,48.0,1.0,0.0012928891188120737,0.0012928891188120737,v0,FindHistory,17.9513370145,0.0001753952,"[17.04262416, 17.2220202037, 17.4014162475, 17.5808122913, 17.7602083351, 17.9396043789, 18.1190004227, 18.2983964665, 18.4777925103, 18.6571885541, 18.8365845978]" +2,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Au,"[-3.197763, -3.20614979, -3.21247157, -3.21685908, -3.2194439, -3.22035071, -3.21968773, -3.21756094, -3.21407123, -3.20931356, -3.20337063]",PBE,17.9511049266177,4.03762788331019e-05,66.0,1.0,2.9542343006501867e-06,-2.9542343006501867e-06,v0,FindHistory,17.9511043963,0.0001450329,"[17.0422663093, 17.2216585863, 17.4010508632, 17.5804431402, 17.7598354171, 17.939227694, 18.118619971, 18.2980122479, 18.4774045249, 18.6567968018, 18.8361890787]" +3,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Au,"[-3.19804023, -3.2064443, -3.21277663, -3.21718879, -3.21978426, -3.22070768, -3.22006069, -3.21795135, -3.21447549, -3.20973056, -3.20381706]",PBE,17.9511049266177,4.03762788331019e-05,16.0,1.0,0.0010617245182420445,0.0010617245182420445,v0,FindHistory,17.9512955179,0.0002174602,"[17.0407683951, 17.2201449045, 17.3995214139, 17.5788979234, 17.7582744328, 17.9376509422, 18.1170274516, 18.296403961, 18.4757804705, 18.6551569799, 18.8345334893]" +4,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Au,"[-3.19774836, -3.20614147, -3.21246148, -3.21685437, -3.21944322, -3.2203484700000002, -3.21968563, -3.21756388, -3.21407906, -3.20932049, -3.2033810799999998]",PBE,17.9511049266177,4.03762788331019e-05,68.0,1.0,0.00013188668773296127,-0.00013188668773296127,v0,FindHistory,17.9510812515,0.00013355460000000002,"[17.0420361453, 17.2214259994, 17.4008158536, 17.5802057078, 17.7595955619, 17.9389854161, 18.1183752702, 18.2977651244, 18.4771549786, 18.6565448327, 18.8359346869]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Au,"[-3.19773689, -3.2061191, -3.2124401, -3.21682703, -3.21941192, -3.22031869, -3.21965529, -3.21752847, -3.21404155, -3.20928546, -3.20334664]",PBE,17.9511049266177,4.03762788331019e-05,50.0,1.0,0.0008535055804408815,0.0008535055804408815,v0,FindHistory,17.9512581403,0.0001678709,"[17.0423873852, 17.2217809366, 17.401174488, 17.5805680395, 17.7599615909, 17.9393551423, 18.1187486937, 18.2981422451, 18.4775357966, 18.656929348, 18.8363228994]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Au,"[-3.19787711, -3.20627289, -3.21259737, -3.21698687, -3.21957839, -3.22048228, -3.21981903, -3.2176906, -3.2142041900000002, -3.20944659, -3.20350984]",PBE,17.9511049266177,4.03762788331019e-05,28.0,1.0,0.0023264841880454115,-0.0023264841880454115,v0,FindHistory,17.950687297,0.00016923189999999995,"[17.0418813908, 17.2212696159, 17.4006578411, 17.5800460663, 17.7594342914, 17.9388225166, 18.1182107418, 18.2975989669, 18.4769871921, 18.6563754173, 18.8357636424]" +7,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Au,"[-3.19775817, -3.20614687, -3.21246621, -3.21685672, -3.21944231, -3.22035049, -3.21968731, -3.21756067, -3.21407277, -3.20931373, -3.20337524]",PBE,17.9511049266177,4.03762788331019e-05,64.0,1.0,0.00035594902131089434,0.00035594902131089434,v0,FindHistory,17.9511688234,0.0001631268,"[17.0422556925, 17.2216478577, 17.4010400229, 17.580432188, 17.7598243532, 17.9392165184, 18.1186086836, 18.2980008488, 18.477393014, 18.6567851791, 18.8361773443]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Au,"[-3.19788103, -3.20627589, -3.21260811, -3.21700182, -3.21961096, -3.22053166, -3.21988723, -3.21777777, -3.21429541, -3.20954034, -3.20359414]",PBE,17.9511049266177,4.03762788331019e-05,24.0,1.0,0.007286940762974701,0.007286940762974701,v0,FindHistory,17.952413013,0.0001164173,"[17.0415956814, 17.2209808991, 17.4003661168, 17.5797513345, 17.7591365522, 17.9385217699, 18.1179069876, 18.2972922052, 18.4766774229, 18.6560626406, 18.8354478583]" +9,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Au,"[-3.19873065, -3.20710604, -3.21343902, -3.21782002, -3.22044518, -3.22134717, -3.2207444, -3.21870391, -3.2152998999999998, -3.2106309, -3.2047989]",PBE,17.9511049266177,4.03762788331019e-05,8.0,1.0,0.08427223549491059,-0.08427223549491059,v0,FindHistory,17.9359771292,0.0003334177,"[17.0232194039, 17.2024111871, 17.3816029703, 17.5607947535, 17.739986536700002, 17.9191783199, 18.0983701031, 18.2775618863, 18.4567536695, 18.6359454527, 18.8151372359]" +10,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Au,"[-3.19771904, -3.20610443, -3.21241965, -3.2168128400000002, -3.21939884, -3.22030558, -3.21963951, -3.21751695, -3.21403084, -3.20927239, -3.20333477]",PBE,17.9511049266177,4.03762788331019e-05,46.0,1.0,0.0007378146517558856,0.0007378146517558856,v0,FindHistory,17.9512373725,0.00017436349999999998,"[17.0422745494, 17.2216669131, 17.4010592768, 17.5804516405, 17.7598440042, 17.9392363678, 18.1186287315, 18.2980210952, 18.4774134589, 18.6568058226, 18.8361981862]" +11,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Au,"[-3.19775522, -3.20614382, -3.21246186, -3.21685172, -3.21943499, -3.22034318, -3.21967821, -3.21755629, -3.21406799, -3.20930878, -3.20336925]",PBE,17.9511049266177,4.03762788331019e-05,60.0,1.0,0.0009258376182429748,0.0009258376182429748,v0,FindHistory,17.9512711247,0.0001340062,"[17.0423604655, 17.2217537336, 17.4011470017, 17.5805402697, 17.7599335378, 17.9393268058, 18.1187200739, 18.298113342, 18.47750661, 18.6568998781, 18.8362931461]" +12,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Au,"[-3.19775002, -3.2061421, -3.21246178, -3.21685205, -3.21944154, -3.22034824, -3.21968443, -3.21756103, -3.21407494, -3.20931754, -3.20337881]",PBE,17.9511049266177,4.03762788331019e-05,70.0,1.0,0.0002977154772192112,-0.0002977154772192112,v0,FindHistory,17.9510514834,0.00014560120000000002,"[17.0420536993, 17.2214437383, 17.4008337772, 17.5802238161, 17.7596138551, 17.939003894, 18.118393933, 18.2977839719, 18.4771740108, 18.6565640498, 18.8359540887]" +13,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Au,"[-3.19783065, -3.20621075, -3.21252294, -3.21691454, -3.21950213, -3.22040997, -3.21974447, -3.21761862, -3.21413327, -3.20937146, -3.20343259]",PBE,17.9511049266177,4.03762788331019e-05,32.0,1.0,0.0016927477107371706,-0.0016927477107371706,v0,FindHistory,17.9508010597,0.0001959543,"[17.0418144856, 17.2212020066, 17.4005895275, 17.5799770484, 17.7593645693, 17.9387520902, 18.1181396111, 18.297527132, 18.4769146529, 18.6563021738, 18.8356896947]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Au,"[-3.19774848, -3.20613814, -3.21246303, -3.21685129, -3.21944165, -3.22034587, -3.21968596, -3.21755941, -3.21407227, -3.20931651, -3.20337898]",PBE,17.9511049266177,4.03762788331019e-05,62.0,1.0,0.00013856685926228628,0.00013856685926228628,v0,FindHistory,17.9511298009,0.0001643091,"[17.0421609059, 17.2215520734, 17.4009432408, 17.5803344082, 17.7597255757, 17.9391167431, 18.1185079105, 18.297899078, 18.4772902454, 18.6566814128, 18.8360725802]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Au,"[-3.19774476, -3.20613361, -3.21245325, -3.21684486, -3.21943075, -3.22033553, -3.21967282, -3.2175467700000002, -3.21406036, -3.20930113, -3.20336292]",PBE,17.9511049266177,4.03762788331019e-05,54.0,1.0,0.00037142662012093963,0.00037142662012093963,v0,FindHistory,17.951171601800002,0.00015692389999999998,"[17.0422954987, 17.2216880829, 17.401080667, 17.5804732512, 17.7598658354, 17.9392584196, 18.1186510038, 18.298043588, 18.4774361722, 18.6568287564, 18.8362213406]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Au,"[-3.19772795, -3.20611133, -3.2124253, -3.21680892, -3.21939224, -3.22029646, -3.2196392, -3.217518, -3.21403678, -3.20928567, -3.20335702]",PBE,17.9511049266177,4.03762788331019e-05,42.0,1.0,0.0020722357716591094,-0.0020722357716591094,v0,FindHistory,17.9507329374,0.0001209866,"[17.0417418174, 17.2211285733, 17.4005153293, 17.5799020853, 17.7592888412, 17.9386755972, 18.1180623532, 18.2974491092, 18.4768358651, 18.6562226211, 18.8356093771]" +17,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Au,"[-3.19774705, -3.2061306800000002, -3.21244642, -3.21682735, -3.21941771, -3.220321, -3.21965952, -3.21752953, -3.21404233, -3.20927771, -3.2033389]",PBE,17.9511049266177,4.03762788331019e-05,38.0,1.0,0.0019716831868830734,-0.0019716831868830734,v0,FindHistory,17.9507509877,0.00017037600000000002,"[17.0419819309, 17.2213712144, 17.4007604978, 17.5801497813, 17.7595390648, 17.9389283483, 18.1183176318, 18.2977069153, 18.4770961987, 18.6564854822, 18.8358747657]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Au,"[-3.19772085, -3.2061057, -3.21242146, -3.21680798, -3.21939512, -3.22029932, -3.21963628, -3.21751303, -3.21402803, -3.20927261, -3.20333764]",PBE,17.9511049266177,4.03762788331019e-05,44.0,1.0,0.0003586409748065822,-0.0003586409748065822,v0,FindHistory,17.9510405466,0.0001502967,"[17.0421388998, 17.2215298356, 17.4009207714, 17.5803117071, 17.7597026429, 17.9390935787, 18.1184845145, 18.2978754503, 18.4772663861, 18.6566573219, 18.8360482577]" +19,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Au,"[-3.02441256, -3.03413797, -3.04171917, -3.04747232, -3.05143878, -3.05373269, -3.05445759, -3.05381547, -3.05189513, -3.0487406, -3.04451047]",PBE,17.9511049266177,4.03762788331019e-05,4.0,1.0,1.265480199747803,1.265480199747803,v0,FindHistory,18.1782726051,0.0007074898,"[17.0923518953, 17.2722713889, 17.4521908826, 17.6321103762, 17.8120298698, 17.9919493635, 18.1718688571, 18.3517883508, 18.5317078444, 18.711627338, 18.8915468317]" +20,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Au,"[-3.17487002, -3.18366723, -3.19041387, -3.19517045, -3.19812307, -3.19942076, -3.19912513, -3.19735259, -3.19416613, -3.1898002500000002, -3.1842731300000002]",PBE,17.9511049266177,4.03762788331019e-05,6.0,1.0,0.003910109269422963,-0.003910109269422963,v0,FindHistory,17.9504030188,0.0007583982,"[17.0021041282, 17.1810736454, 17.3600431625, 17.5390126797, 17.7179821968, 17.896951713900002, 18.0759212311, 18.2548907482, 18.4338602654, 18.6128297825, 18.7917992996]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Au,"[-3.19770435, -3.20609829, -3.21242121, -3.2168123, -3.21939917, -3.22030427, -3.21964708, -3.21753064, -3.21405336, -3.20930573, -3.2033748]",PBE,17.9511049266177,4.03762788331019e-05,40.0,1.0,0.003688008734870326,-0.003688008734870326,v0,FindHistory,17.9504428883,9.514610000000001e-05,"[17.0411952686, 17.2205762714, 17.3999572743, 17.5793382771, 17.7587192799, 17.9381002827, 18.1174812856, 18.2968622884, 18.4762432912, 18.6556242941, 18.8350052969]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Au,"[-3.19806391, -3.20646265, -3.21279115, -3.21719293, -3.21979774, -3.22072151, -3.22008083, -3.21797494, -3.21450194, -3.20976088, -3.20383305]",PBE,17.9511049266177,4.03762788331019e-05,18.0,1.0,0.003765594291064254,0.003765594291064254,v0,FindHistory,17.9517808924,0.0001234118,"[17.0407426636, 17.2201189022, 17.3994951407, 17.5788713793, 17.7582476179, 17.9376238564, 18.117000095, 18.2963763336, 18.4757525721, 18.6551288107, 18.8345050493]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Au,"[-3.19798118, -3.20642478, -3.21279032, -3.2172295, -3.21986521, -3.22081846, -3.2201980199999998, -3.21812195, -3.21467528, -3.20995222, -3.20405337]",PBE,17.9511049266177,4.03762788331019e-05,14.0,1.0,0.01892688108163478,0.01892688108163478,v0,FindHistory,17.9545025109,0.00014481649999999998,"[17.0403751946, 17.219747565, 17.3991199355, 17.578492306, 17.7578646764, 17.9372370469, 18.1166094174, 18.2959817879, 18.4753541583, 18.6547265288, 18.8340988993]" +24,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Au,"[-3.19774315, -3.20613104, -3.21245043, -3.2168365, -3.21942286, -3.2203264, -3.21966317, -3.21754047, -3.21405214, -3.20929622, -3.20335987]",PBE,17.9511049266177,4.03762788331019e-05,52.0,1.0,0.00036132362082473763,0.00036132362082473763,v0,FindHistory,17.951169788199998,0.0001401749,"[17.042348393, 17.221741534, 17.4011346749, 17.5805278159, 17.7599209569, 17.9393140979, 18.1187072388, 18.2981003798, 18.4774935208, 18.6568866618, 18.8362798028]" +25,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Au,"[-3.19956344, -3.20811604, -3.2143409, -3.21858342, -3.22102099, -3.2218189600000002, -3.2210211, -3.21879785, -3.21520328, -3.21036678, -3.2043578999999998]",PBE,17.9511049266177,4.03762788331019e-05,10.0,1.0,0.13881835975873524,-0.13881835975873524,v0,FindHistory,17.9261854972,0.0011432171,"[17.0343512007, 17.2136601607, 17.3929691207, 17.5722780808, 17.7515870408, 17.9308960008, 18.1102049608, 18.2895139208, 18.4688228808, 18.6481318408, 18.8274408008]" +26,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Au,"[-3.19774645, -3.20614711, -3.21247011, -3.21686595, -3.21945512, -3.22035771, -3.21969818, -3.21758406, -3.21410538, -3.20935729, -3.20342196]",PBE,17.9511049266177,4.03762788331019e-05,34.0,1.0,0.0039437250274669605,-0.0039437250274669605,v0,FindHistory,17.9503969844,0.0001026369,"[17.0411724652, 17.220553228, 17.3999339908, 17.5793147536, 17.7586955164, 17.9380762791, 18.1174570419, 18.2968378047, 18.4762185675, 18.6555993303, 18.8349800931]" +27,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Au,"[-3.19801072, -3.2064897, -3.21290358, -3.21736138, -3.22003859, -3.22102433, -3.22044581, -3.21840619, -3.21498874, -3.21031221, -3.20437729]",PBE,17.9511049266177,4.03762788331019e-05,12.0,1.0,0.03706237086517758,0.03706237086517758,v0,FindHistory,17.9577580317,0.0002958234,"[17.0392495367, 17.2186100582, 17.3979705796, 17.577331101, 17.7566916225, 17.9360521439, 18.1154126654, 18.2947731868, 18.4741337082, 18.6534942297, 18.8328547511]" +28,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Au,"[-3.19774303, -3.20613407, -3.21245726, -3.21684823, -3.21943943, -3.22034568, -3.21967847, -3.21754868, -3.2140534, -3.20929445, -3.20335844]",PBE,17.9511049266177,4.03762788331019e-05,36.0,1.0,0.00196360290434127,-0.00196360290434127,v0,FindHistory,17.9507524382,0.0002399802,"[17.0420695348, 17.2214597404, 17.400849946, 17.5802401516, 17.7596303573, 17.9390205629, 18.1184107685, 18.2978009742, 18.4771911798, 18.6565813854, 18.835971591]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Au,"[-3.19775013, -3.20613792, -3.21245789, -3.21684902, -3.21943671, -3.22034393, -3.21967968, -3.21755104, -3.21406196, -3.20930554, -3.2033675]",PBE,17.9511049266177,4.03762788331019e-05,56.0,1.0,0.00024501323167200366,0.00024501323167200366,v0,FindHistory,17.9511489092,0.0001953998,"[17.0422878904, 17.2216803945, 17.4010728986, 17.5804654027, 17.7598579068, 17.9392504109, 18.118642915, 18.2980354191, 18.4774279232, 18.6568204273, 18.8362129314]" +30,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Au,"[-3.19784587, -3.20624381, -3.2125813, -3.21697785, -3.2195727, -3.22048996, -3.21983868, -3.21772566, -3.21425084, -3.20950562, -3.20357199]",PBE,17.9511049266177,4.03762788331019e-05,26.0,1.0,0.0034896859266451774,0.0034896859266451774,v0,FindHistory,17.9517313638,0.0001139146,"[17.0415919127, 17.2209770907, 17.4003622687, 17.5797474468, 17.7591326248, 17.9385178028, 18.1179029809, 18.2972881589, 18.4766733369, 18.6560585149, 18.835443693]" +31,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Au,"[-3.19793436, -3.20636855, -3.21273118, -3.21715289, -3.21974663, -3.22065509, -3.21999386, -3.21787234, -3.21438428, -3.20962774, -3.20369221]",PBE,17.9511049266177,4.03762788331019e-05,22.0,1.0,0.008314860972630254,-0.008314860972630254,v0,FindHistory,17.9496123172,0.0002064864,"[17.0404138427, 17.21978662, 17.3991593972, 17.5785321745, 17.7579049518, 17.9372777291, 18.1166505064, 18.2960232837, 18.475396061, 18.6547688383, 18.8341416156]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Au,"[-3.19776514, -3.20615103, -3.21246522, -3.21685174, -3.2194356, -3.22034169, -3.21967748, -3.21755387, -3.21406523, -3.20930379, -3.20336205]",PBE,17.9511049266177,4.03762788331019e-05,58.0,1.0,0.0014094992109698241,0.0014094992109698241,v0,FindHistory,17.9513579473,0.00012345219999999998,"[17.0425157758, 17.2219106787, 17.4013055816, 17.5807004845, 17.7600953874, 17.9394902903, 18.1188851932, 18.2982800961, 18.477674999, 18.6570699019, 18.8364648048]" +33,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Au,"[-3.19786102, -3.20624981, -3.21256835, -3.2169586, -3.21954309, -3.22045033, -3.21978773, -3.21766007, -3.21416716, -3.20940765, -3.20346509]",PBE,17.9511049266177,4.03762788331019e-05,30.0,1.0,0.0008110799769394286,-0.0008110799769394286,v0,FindHistory,17.9509593288,0.0001615851,"[17.0421505652, 17.2215416238, 17.4009326824, 17.580323741, 17.7597147995, 17.9391058581, 18.1184969167, 18.2978879753, 18.4772790339, 18.6566700924, 18.836061151]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6777171200000001, -0.68151255, -0.68455291, -0.68691291, -0.68861963, -0.6897042800000001, -0.69023106, -0.69024818, -0.68978881, -0.68887431, -0.68753548]",PBE,35.9133382140273,0.0154442516461313,30.0,1.0,2.437115308555306,-2.437115308555306,B,bcc,35.0380887506,0.0742817991,"[22.0365926446, 22.2685567777, 22.5005209108, 22.7324850439, 22.964449177, 23.1964133101, 23.4283774432, 23.6603415763, 23.8923057094, 24.1242698425, 24.3562339756]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818922, -0.6818564500000001, -0.68479606, -0.68703744, -0.68863839, -0.6896382600000001, -0.69009555, -0.6900394999999999, -0.68952032, -0.68855237, -0.6871661]",PBE,35.9133382140273,0.0154442516461313,26.0,1.0,3.428800684271474,-3.428800684271474,B,bcc,34.6819414276,0.045910886000000005,"[22.0627488893, 22.2949883513, 22.5272278133, 22.7594672752, 22.9917067372, 23.2239461992, 23.4561856612, 23.6884251232, 23.9206645852, 24.1529040472, 24.3851435092]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67828856, -0.68202397, -0.6850090400000001, -0.6872981300000001, -0.68894756, -0.68999173, -0.6904851200000001, -0.69045557, -0.6899472600000001, -0.68898626, -0.68759057]",PBE,35.9133382140273,0.0154442516461313,34.0,1.0,1.8710866634637564,-1.8710866634637564,B,bcc,35.2413685323,0.0331359064,"[22.0508270835, 22.2829410528, 22.515055022, 22.7471689913, 22.9792829606, 23.2113969299, 23.4435108992, 23.6756248685, 23.9077388378, 24.1398528071, 24.3719667764]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67808618, -0.6818668, -0.6848917, -0.68722236, -0.68890531, -0.6899799600000001, -0.6904921900000001, -0.69048208, -0.68998085, -0.68901139, -0.68760973]",PBE,35.9133382140273,0.0154442516461313,40.0,1.0,0.4642199756918818,-0.4642199756918818,B,bcc,35.7466213241,0.0299413681,"[22.0403241988, 22.2723276114, 22.504331024, 22.7363344366, 22.9683378493, 23.2003412619, 23.4323446745, 23.6643480871, 23.8963514997, 24.1283549124, 24.360358325]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781328600000001, -0.68190404, -0.68492442, -0.68724719, -0.68891596, -0.68997483, -0.69047897, -0.6904606, -0.68994534, -0.68897284, -0.68757776]",PBE,35.9133382140273,0.0154442516461313,50.0,1.0,0.837199303321407,-0.837199303321407,B,bcc,35.6126719967,0.0247966279,"[22.0448368489, 22.2768877631, 22.5089386773, 22.7409895915, 22.9730405057, 23.2050914199, 23.4371423341, 23.6691932483, 23.9012441625, 24.1332950767, 24.3653459909]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.6496264700000001, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,35.9133382140273,0.0154442516461313,6.0,1.0,19.80665542683793,-19.80665542683793,B,bcc,28.8001070617,0.0438390272,"[22.5966360102, 22.8344953367, 23.0723546631, 23.3102139895, 23.548073315899998, 23.7859326424, 24.0237919688, 24.2616512952, 24.4995106216, 24.7373699481, 24.9752292745]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804865, -0.68184617, -0.6848907200000001, -0.68723163, -0.68891871, -0.68999698, -0.69050685, -0.69048636, -0.68997324, -0.6890012999999999, -0.68760652]",PBE,35.9133382140273,0.0154442516461313,66.0,1.0,0.2196807992538098,-0.2196807992538098,B,bcc,35.8344435056,0.021781407000000003,"[22.0388949574, 22.2708833253, 22.5028716933, 22.7348600613, 22.9668484293, 23.1988367972, 23.4308251652, 23.6628135332, 23.8948019011, 24.1267902691, 24.3587786371]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67946522, -0.68251171, -0.68481689, -0.68642337, -0.68744063, -0.68811568, -0.68825786, -0.68781, -0.68704234, -0.68585685, -0.68430886]",PBE,35.9133382140273,0.0154442516461313,14.0,1.0,10.801547374429633,-10.801547374429633,B,bcc,32.0341419731,0.34917485070000004,"[22.1957010504, 22.4293400088, 22.6629789673, 22.8966179257, 23.1302568841, 23.3638958425, 23.597534801, 23.8311737594, 24.0648127178, 24.2984516762, 24.5320906347]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.69940484, -0.70829118, -0.7160392, -0.72277904, -0.72863252, -0.73349698, -0.73752313, -0.74079531, -0.74326199, -0.7451253600000001, -0.7462504600000001]",PBE,35.9133382140273,0.0154442516461313,4.0,1.0,25.301549209991244,25.301549209991244,B,bcc,44.999969155200006,0.7667075395,"[20.4728431559, 20.6883467681, 20.9038503802, 21.1193539924, 21.3348576046, 21.5503612167, 21.7658648289, 21.9813684411, 22.1968720532, 22.4123756654, 22.6278792776]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67814392, -0.68190384, -0.684919, -0.68723641, -0.68890683, -0.6899678, -0.6904619, -0.69043728, -0.68993199, -0.68896365, -0.68756986]",PBE,35.9133382140273,0.0154442516461313,44.0,1.0,1.0924785529239742,-1.0924785529239742,B,bcc,35.5209926964,0.0322574568,"[22.046584474, 22.2786537843, 22.5107230945, 22.7427924048, 22.974861715, 23.2069310253, 23.4390003355, 23.6710696458, 23.903138956, 24.1352082663, 24.3672775765]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67748315, -0.68135731, -0.68447527, -0.68688746, -0.68862753, -0.68974007, -0.69030818, -0.6904048500000001, -0.69002665, -0.68921526, -0.68798071]",PBE,35.9133382140273,0.0154442516461313,22.0,1.0,6.188787948593376,-6.188787948593376,B,bcc,33.6907378667,0.1553056489,"[21.9993974633, 22.2309700681, 22.462542673, 22.6941152779, 22.9256878828, 23.1572604876, 23.3888330925, 23.6204056974, 23.8519783023, 24.0835509071, 24.315123512]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6751113, -0.6784449300000001, -0.68108616, -0.68306963, -0.68450952, -0.6851172600000001, -0.68545941, -0.68525877, -0.68456475, -0.68355937, -0.68221889]",PBE,35.9133382140273,0.0154442516461313,12.0,1.0,10.160668057869456,-10.160668057869456,B,bcc,32.2643031296,0.4188543396,"[22.2014623842, 22.4351619882, 22.6688615923, 22.9025611963, 23.1362608003, 23.3699604044, 23.6036600084, 23.8373596125, 24.0710592165, 24.3047588206, 24.5384584246]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.6739115, -0.6766192400000001, -0.67859326, -0.67989369, -0.68057565, -0.68089379, -0.68103493, -0.6811381]",PBE,35.9133382140273,0.0154442516461313,8.0,1.0,34.735561438437486,-34.735561438437486,B,bcc,23.4386385541,2.7900719444,"[21.332919655, 21.557476704, 21.782033753, 22.006590802, 22.231147851, 22.4557049, 22.680261949, 22.904818998, 23.129376047, 23.353933096, 23.578490145]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304805, -0.69480957, -0.69516035, -0.69584596, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,35.9133382140273,0.0154442516461313,10.0,1.0,5.828172586612298,-5.828172586612298,B,bcc,33.8202468813,1.2251140142,"[22.0934311736, 22.325993607, 22.5585560404, 22.7911184738, 23.0236809072, 23.2562433406, 23.488805774, 23.7213682074, 23.9539306409, 24.1864930743, 24.4190555077]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67799849, -0.68180697, -0.6848603999999999, -0.6872098600000001, -0.68890632, -0.68999431, -0.69051184, -0.6905005200000001, -0.6899947200000001, -0.68903044, -0.68764196]",PBE,35.9133382140273,0.0154442516461313,68.0,1.0,0.22379269353442638,-0.22379269353442638,B,bcc,35.8329667871,0.0197531164,"[22.0356499782, 22.267604188500002, 22.4995583988, 22.7315126091, 22.9634668194, 23.1954210297, 23.42737524, 23.6593294503, 23.8912836606, 24.1232378709, 24.3551920812]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67819045, -0.6818576, -0.68479688, -0.6870380500000001, -0.6886388, -0.68963848, -0.69009559, -0.69003938, -0.68951991, -0.68855174, -0.68716526]",PBE,35.9133382140273,0.0154442516461313,26.0,1.0,3.4255949683529656,-3.4255949683529656,B,bcc,34.6830927072,0.0455102066,"[22.0628367456, 22.2950771324, 22.5273175192, 22.759557906, 22.9917982928, 23.2240386796, 23.4562790664, 23.6885194532, 23.92075984, 24.1530002268, 24.3852406136]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67946526, -0.68251175, -0.68481693, -0.6864234100000001, -0.68744063, -0.68811562, -0.68825786, -0.68780991, -0.68704234, -0.68585674, -0.68430874]",PBE,35.9133382140273,0.0154442516461313,14.0,1.0,10.801033184133825,-10.801033184133825,B,bcc,32.034326635999996,0.34922928299999995,"[22.1957006021, 22.4293395558, 22.6629785095, 22.8966174632, 23.1302564169, 23.3638953706, 23.5975343243, 23.831173278, 24.0648122317, 24.2984511854, 24.5320901391]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67813394, -0.68189387, -0.6849028500000001, -0.68721077, -0.6888691, -0.68992573, -0.69042568, -0.69039796, -0.68987978, -0.68890775, -0.68751092]",PBE,35.9133382140273,0.0154442516461313,42.0,1.0,1.0782775581024857,-1.0782775581024857,B,bcc,35.5260927477,0.017983891800000002,"[22.0490314197, 22.2811264873, 22.5132215549, 22.7453166224, 22.97741169, 23.2095067576, 23.4416018252, 23.6736968927, 23.9057919603, 24.1378870279, 24.3699820955]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813135, -0.68189226, -0.6849015900000001, -0.68720983, -0.68886846, -0.68992538, -0.6904256, -0.69039813, -0.68988019, -0.6889084, -0.68751207]",PBE,35.9133382140273,0.0154442516461313,42.0,1.0,1.085385691534103,-1.085385691534103,B,bcc,35.5235399797,0.0183443438,"[22.0489136444, 22.2810074722, 22.5131013, 22.7451951279, 22.9772889557, 23.2093827835, 23.4414766114, 23.6735704392, 23.905664267, 24.1377580949, 24.3698519227]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67807341, -0.6818647999999999, -0.68490222, -0.68723909, -0.68892063, -0.68999314, -0.69049887, -0.69047688, -0.68996279, -0.68899042, -0.6875943800000001]",PBE,35.9133382140273,0.0154442516461313,60.0,1.0,0.38242709577372663,-0.38242709577372663,B,bcc,35.7759958777,0.017238076800000002,"[22.0407010043, 22.2727083833, 22.504715762300002, 22.7367231413, 22.9687305203, 23.2007378993, 23.4327452783, 23.6647526572, 23.8967600362, 24.1287674152, 24.3607747942]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804561, -0.68183835, -0.68487699, -0.68721578, -0.68890176, -0.68997821, -0.69049058, -0.69047473, -0.6899660400000001, -0.68899885, -0.68760854]",PBE,35.9133382140273,0.0154442516461313,54.0,1.0,0.48745979692559277,-0.48745979692559277,B,bcc,35.7382751285,0.0143350528,"[22.0396052285, 22.271601073, 22.5035969176, 22.7355927621, 22.9675886066, 23.1995844511, 23.4315802956, 23.663576140099998, 23.8955719846, 24.1275678291, 24.3595636736]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67511072, -0.67844443, -0.68108577, -0.68306966, -0.6845093, -0.68511714, -0.6854593800000001, -0.68525881, -0.684565, -0.68355958, -0.68221917]",PBE,35.9133382140273,0.0154442516461313,12.0,1.0,10.161594311502627,-10.161594311502627,B,bcc,32.263970481,0.4187483488,"[22.2014309405, 22.4351302136, 22.6688294866, 22.9025287597, 23.1362280327, 23.3699273058, 23.6036265788, 23.8373258519, 24.071025125, 24.304724398, 24.5384236711]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67796499, -0.68165643, -0.68462164, -0.68689845, -0.68853695, -0.68957927, -0.6900742400000001, -0.69003485, -0.68949881, -0.68851924, -0.6871393100000001]",PBE,35.9133382140273,0.0154442516461313,24.0,1.0,1.6225039071965361,-1.6225039071965361,B,bcc,35.3306428983,0.0779625551,"[22.0685139647, 22.3008141117, 22.5331142587, 22.7654144056, 22.9977145526, 23.2300146996, 23.4623148466, 23.6946149936, 23.9269151406, 24.1592152876, 24.3915154346]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67771651, -0.68151206, -0.68455291, -0.68691259, -0.68861963, -0.68970416, -0.69023102, -0.69024823, -0.68978894, -0.6888742999999999, -0.68753576]",PBE,35.9133382140273,0.0154442516461313,30.0,1.0,2.4399385153370075,-2.4399385153370075,B,bcc,35.0370748428,0.07389677139999999,"[22.0365604189, 22.2685242128, 22.5004880067, 22.7324518006, 22.9644155945, 23.1963793884, 23.4283431822, 23.6603069761, 23.89227077, 24.1242345639, 24.3561983578]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6787384200000001, -0.68255776, -0.6856196800000001, -0.68794867, -0.68960139, -0.69066352, -0.6911968900000001, -0.69122182, -0.69073511, -0.68977884, -0.68845394]",PBE,35.9133382140273,0.0154442516461313,16.0,1.0,2.7540012410792487,-2.7540012410792487,B,bcc,34.9242844339,0.175022736,"[22.0130642073, 22.2447806726, 22.4764971379, 22.7082136033, 22.9399300686, 23.171646534, 23.4033629993, 23.6350794646, 23.86679593, 24.0985123953, 24.3302288607]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67803828, -0.68182847, -0.68486335, -0.68719537, -0.6888831, -0.6899609800000001, -0.69046926, -0.69045345, -0.68994798, -0.68898501, -0.68759649]",PBE,35.9133382140273,0.0154442516461313,48.0,1.0,0.6900523826284117,-0.6900523826284117,B,bcc,35.665517368,0.0196518709,"[22.0410348813, 22.2730457747, 22.5050566682, 22.7370675617, 22.9690784552, 23.2010893487, 23.4331002422, 23.6651111357, 23.8971220292, 24.1291329226, 24.3611438161]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6788797, -0.68231611, -0.68506302, -0.6871500500000001, -0.68863348, -0.68954389, -0.68988361, -0.6896943600000001, -0.68902178, -0.6879429300000001, -0.6864718200000001]",PBE,35.9133382140273,0.0154442516461313,20.0,1.0,2.327672464601989,-2.327672464601989,B,bcc,35.0773933293,0.1871552684,"[22.1172639111, 22.3500772155, 22.5828905198, 22.8157038241, 23.0485171284, 23.2813304328, 23.5141437371, 23.7469570414, 23.9797703458, 24.2125836501, 24.4453969544]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67811015, -0.6818930999999999, -0.6849193100000001, -0.6872478, -0.68892608, -0.68999904, -0.69050345, -0.69047346, -0.68995193, -0.68897428, -0.68757418]",PBE,35.9133382140273,0.0154442516461313,52.0,1.0,0.20890919991947426,-0.20890919991947426,B,bcc,35.8383119465,0.0346088288,"[22.0420151348, 22.2740363468, 22.5060575587, 22.7380787706, 22.9700999826, 23.2021211945, 23.4341424065, 23.6661636184, 23.8981848304, 24.1302060423, 24.3622272543]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813017, -0.68190188, -0.68492272, -0.68724593, -0.68891511, -0.68997436, -0.69047885, -0.69046083, -0.6899457, -0.68897338, -0.68757882]",PBE,35.9133382140273,0.0154442516461313,50.0,1.0,0.8361096513440072,-0.8361096513440072,B,bcc,35.6130633271,0.0249225343,"[22.0446987969, 22.2767482579, 22.5087977189, 22.7408471799, 22.9728966409, 23.204946102, 23.436995563, 23.669045024, 23.901094485, 24.133143946, 24.365193407]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6780378, -0.68181093, -0.68483187, -0.68714765, -0.68881503, -0.68987561, -0.69037869, -0.69035539, -0.68984239, -0.6888822800000001, -0.68749373]",PBE,35.9133382140273,0.0154442516461313,36.0,1.0,1.2900358673601142,-1.2900358673601142,B,bcc,35.4500432699,0.0139199818,"[22.0472929937, 22.2793697621, 22.5114465305, 22.7435232988, 22.9756000672, 23.2076768355, 23.4397536039, 23.6718303722, 23.9039071406, 24.1359839089, 24.3680606773]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67809332, -0.68187673, -0.68490927, -0.6872398200000001, -0.68891672, -0.68998739, -0.6904956999999999, -0.6904748900000001, -0.68996179, -0.68899078, -0.68759421]",PBE,35.9133382140273,0.0154442516461313,56.0,1.0,0.5193511723019084,-0.5193511723019084,B,bcc,35.726821871,0.0101409803,"[22.0419707573, 22.2739915021, 22.5060122469, 22.7380329917, 22.9700537365, 23.2020744814, 23.4340952262, 23.666115971, 23.8981367158, 24.1301574606, 24.3621782054]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808706, -0.68187727, -0.68491371, -0.6872482999999999, -0.68893288, -0.69000721, -0.69051379, -0.69048622, -0.6899685, -0.68899318, -0.68759487]",PBE,35.9133382140273,0.0154442516461313,58.0,1.0,0.17143674353070323,-0.17143674353070323,B,bcc,35.8517695565,0.0316616578,"[22.0401036978, 22.2721047893, 22.5041058809, 22.736106972400002, 22.968108064, 23.2001091555, 23.4321102471, 23.6641113386, 23.8961124302, 24.1281135218, 24.3601146133]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818481, -0.68194727, -0.68496167, -0.68727371, -0.68893647, -0.6899952500000001, -0.69049699, -0.69047126, -0.68994082, -0.68895233, -0.68754531]",PBE,35.9133382140273,0.0154442516461313,46.0,1.0,0.29004844497194465,-0.29004844497194465,B,bcc,35.809172135,0.038298922,"[22.0461147559, 22.2781791217, 22.5102434876, 22.7423078534, 22.9743722193, 23.2064365851, 23.438500951, 23.6705653168, 23.9026296827, 24.1346940485, 24.3667584144]" +33,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67828982, -0.68202499, -0.68500988, -0.68729876, -0.68894798, -0.68999196, -0.69048518, -0.69045545, -0.68994731, -0.68898583, -0.68758999]",PBE,35.9133382140273,0.0154442516461313,34.0,1.0,1.8688586759254617,-1.8688586759254617,B,bcc,35.242168676999995,0.033462319500000004,"[22.0508885569, 22.2830031733, 22.5151177896, 22.747232406, 22.9793470224, 23.2114616388, 23.4435762552, 23.6756908716, 23.907805488, 24.1399201044, 24.3720347208]" +34,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67809398, -0.68187727, -0.6849097, -0.68724014, -0.68891693, -0.68998763, -0.69049573, -0.69047484, -0.68996165, -0.68899057, -0.68759393]",PBE,35.9133382140273,0.0154442516461313,56.0,1.0,0.5189353078698388,-0.5189353078698388,B,bcc,35.7269712218,0.0100055352,"[22.0420175711, 22.2740388087, 22.5060600463, 22.7380812839, 22.9701025215, 23.2021237591, 23.4341449967, 23.6661662343, 23.898187471900002, 24.1302087094, 24.362229947]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67804428, -0.68183726, -0.68487614, -0.6872151400000001, -0.68890133, -0.68997797, -0.69049028, -0.69047485, -0.68996631, -0.68899927, -0.68760911]",PBE,35.9133382140273,0.0154442516461313,54.0,1.0,0.4893625573872627,-0.4893625573872627,B,bcc,35.7375917837,0.0141815102,"[22.0395241424, 22.2715191334, 22.5035141243, 22.7355091153, 22.9675041063, 23.1994990972, 23.4314940882, 23.6634890792, 23.8954840702, 24.1274790611, 24.3594740521]" +36,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808679, -0.68186729, -0.68489212, -0.68722268, -0.68890553, -0.6899800700000001, -0.69049222, -0.69048203, -0.68998072, -0.68901117, -0.68760944]",PBE,35.9133382140273,0.0154442516461313,40.0,1.0,0.46411454188404755,-0.46411454188404755,B,bcc,35.7466591889,0.0299458911,"[22.0403590587, 22.2723628383, 22.5043666178, 22.7363703974, 22.968374177, 23.2003779565, 23.4323817361, 23.6643855157, 23.8963892952, 24.1283930748, 24.3603968544]" +37,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6785143100000001, -0.6821684, -0.68507699, -0.6873085800000001, -0.68889269, -0.68987696, -0.69031994, -0.69023531, -0.68966255, -0.68864569, -0.6872253500000001]",PBE,35.9133382140273,0.0154442516461313,32.0,1.0,1.8382607767980774,-1.8382607767980774,B,bcc,35.253157404,0.0476722168,"[22.0748172621, 22.3071837596, 22.5395502571, 22.7719167546, 23.0042832521, 23.2366497496, 23.4690162471, 23.7013827446, 23.9337492421, 24.1661157396, 24.3984822371]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804186, -0.6818136300000001, -0.68483441, -0.6871495400000001, -0.68881632, -0.68987631, -0.69037883, -0.69035505, -0.68984157, -0.68888101, -0.68749231]",PBE,35.9133382140273,0.0154442516461313,36.0,1.0,1.2926473667267535,-1.2926473667267535,B,bcc,35.4491053933,0.0143787053,"[22.0475036688, 22.2795826548, 22.5116616408, 22.7437406268, 22.9758196128, 23.2078985988, 23.4399775848, 23.6720565708, 23.9041355567, 24.1362145427, 24.3682935287]" +39,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781868600000001, -0.68194888, -0.68496294, -0.68727465, -0.68893711, -0.6899955999999999, -0.69049708, -0.69047108, -0.68994039, -0.6889516800000001, -0.68754445]",PBE,35.9133382140273,0.0154442516461313,46.0,1.0,0.290326106991002,-0.290326106991002,B,bcc,35.8090724173,0.0382716773,"[22.046232815, 22.2782984235, 22.5103640321, 22.7424296407, 22.9744952493, 23.2065608579, 23.4386264664, 23.670692075, 23.9027576836, 24.1348232922, 24.3668889007]" +40,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6788803, -0.68231666, -0.68506343, -0.68715033, -0.68863368, -0.6895439800000001, -0.68988361, -0.68969427, -0.68902165, -0.6879427, -0.68647183]",PBE,35.9133382140273,0.0154442516461313,20.0,1.0,2.332974310363745,-2.332974310363745,B,bcc,35.075489259499996,0.1874159413,"[22.1172928563, 22.3501064653, 22.5829200743, 22.8157336833, 23.0485472924, 23.2813609014, 23.5141745104, 23.7469881194, 23.9798017284, 24.2126153374, 24.4454289464]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67836057, -0.68180987, -0.68451008, -0.68651527, -0.6879006, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,35.9133382140273,0.0154442516461313,18.0,1.0,4.777648935339364,-4.777648935339364,B,bcc,34.1975249932,0.1344914221,"[22.1518020737, 22.3849789376, 22.6181558015, 22.8513326655, 23.084509529400002, 23.3176863933, 23.5508632573, 23.7840401212, 24.0172169851, 24.2503938491, 24.483570713]" +42,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67796493, -0.6816569100000001, -0.68462164, -0.68689876, -0.68853695, -0.68957938, -0.69007427, -0.69003479, -0.68949867, -0.68851903, -0.68713903]",PBE,35.9133382140273,0.0154442516461313,24.0,1.0,1.6222158690882929,-1.6222158690882929,B,bcc,35.3307463424,0.07774553969999999,"[22.0685413596, 22.3008417949, 22.5331422303, 22.7654426657, 22.997743101, 23.2300435364, 23.4623439718, 23.6946444071, 23.9269448425, 24.1592452779, 24.3915457132]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67867938, -0.68233707, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.68985789, -0.68885979, -0.68744647]",PBE,35.9133382140273,0.0154442516461313,28.0,1.0,2.471379025636315,-2.471379025636315,B,bcc,35.025783505999996,0.0517381229,"[22.0726319133, 22.3049754072, 22.537318901, 22.7696623948, 23.0020058886, 23.2343493825, 23.4666928763, 23.6990363701, 23.9313798639, 24.1637233578, 24.3960668516]" +44,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67867933, -0.68233701, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.6898579300000001, -0.68885982, -0.68744647]",PBE,35.9133382140273,0.0154442516461313,28.0,1.0,2.4710564418672614,-2.4710564418672614,B,bcc,35.0258993566,0.0516383662,"[22.0726338233, 22.3049773372, 22.5373208512, 22.7696643651, 23.002007879, 23.2343513929, 23.4666949069, 23.6990384208, 23.9313819347, 24.1637254487, 24.3960689626]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.64962646, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,35.9133382140273,0.0154442516461313,6.0,1.0,19.80669975521505,-19.80669975521505,B,bcc,28.8000911419,0.0438316995,"[22.5966369513, 22.8344962876, 23.072355624, 23.3102149603, 23.5480742966, 23.785933633, 24.0237929693, 24.2616523056, 24.499511642, 24.7373709783, 24.9752303146]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67748253, -0.6813568, -0.68447483, -0.68688713, -0.68862731, -0.68973985, -0.69030812, -0.69040492, -0.69002675, -0.68921562, -0.68798095]",PBE,35.9133382140273,0.0154442516461313,22.0,1.0,6.189175565581713,-6.189175565581713,B,bcc,33.6905986605,0.1556327143,"[21.9993464121, 22.2309184796, 22.4624905471, 22.6940626146, 22.9256346821, 23.1572067496, 23.388778817, 23.6203508845, 23.851922952, 24.0834950195, 24.315067087]" +47,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304806, -0.69480957, -0.69516025, -0.6958458, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,35.9133382140273,0.0154442516461313,10.0,1.0,5.829259131109147,-5.829259131109147,B,bcc,33.8198566669,1.2253518615,"[22.0934305547, 22.3259929816, 22.5585554085, 22.7911178353, 23.0236802622, 23.2562426891, 23.488805116, 23.7213675429, 23.9539299698, 24.1864923967, 24.4190548236]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67812052, -0.68187016, -0.68486919, -0.68717045, -0.6888321900000001, -0.68988906, -0.69038446, -0.6903599300000001, -0.68985236, -0.68890249, -0.68752195]",PBE,35.9133382140273,0.0154442516461313,38.0,1.0,1.9437929884630913,-1.9437929884630913,B,bcc,35.2152572639,0.0250776362,"[22.048455068, 22.2805440687, 22.5126330694, 22.7447220701, 22.9768110708, 23.2089000715, 23.4409890723, 23.673078073, 23.9051670737, 24.1372560744, 24.3693450751]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67811147, -0.68189418, -0.6849201500000001, -0.68724875, -0.68892651, -0.68999927, -0.6905034999999999, -0.69047334, -0.68995152, -0.68897396, -0.6875736]",PBE,35.9133382140273,0.0154442516461313,52.0,1.0,0.21177148828116607,-0.21177148828116607,B,bcc,35.837284003200004,0.0343704746,"[22.0420962552, 22.2741183211, 22.5061403869, 22.7381624528, 22.9701845186, 23.2022065845, 23.4342286503, 23.6662507161, 23.898272782, 24.1302948478, 24.3623169137]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67836061, -0.6818099200000001, -0.68451012, -0.68651531, -0.68790078, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,35.9133382140273,0.0154442516461313,18.0,1.0,4.777902936789887,-4.777902936789887,B,bcc,34.197433772800004,0.1342926594,"[22.1518038779, 22.3849807608, 22.6181576438, 22.8513345267, 23.0845114096, 23.3176882926, 23.5508651755, 23.7840420584, 24.0172189413, 24.2503958243, 24.4835727072]" +51,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67814584, -0.68190545, -0.68492027, -0.68723736, -0.68890747, -0.68996815, -0.69046201, -0.69043711, -0.68993158, -0.688963, -0.68756901]",PBE,35.9133382140273,0.0154442516461313,44.0,1.0,1.0929337656892852,-1.0929337656892852,B,bcc,35.5208292143,0.0321555981,"[22.0467018767, 22.2787724228, 22.5108429688, 22.7429135149, 22.974984061, 23.207054607, 23.4391251531, 23.6711956992, 23.9032662453, 24.1353367913, 24.3674073374]" +52,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67873776, -0.68255717, -0.68561965, -0.6879483200000001, -0.68960117, -0.6906633999999999, -0.6911968900000001, -0.69122187, -0.69073522, -0.68977885, -0.68845426]",PBE,35.9133382140273,0.0154442516461313,16.0,1.0,2.7567628192263163,-2.7567628192263163,B,bcc,34.923292659,0.1756625048,"[22.0130428411, 22.2447590816, 22.476475322, 22.7081915624, 22.9399078029, 23.1716240433, 23.4033402837, 23.6350565242, 23.8667727646, 24.098489005, 24.3302052455]" +53,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67812244, -0.68187176, -0.68487088, -0.68717185, -0.6888328300000001, -0.68988941, -0.69038457, -0.69035976, -0.68985195, -0.68890221, -0.68752125]",PBE,35.9133382140273,0.0154442516461313,38.0,1.0,1.9526620052640886,-1.9526620052640886,B,bcc,35.2120721039,0.0248623424,"[22.0485791117, 22.2806694182, 22.5127597246, 22.7448500311, 22.9769403375, 23.2090306439, 23.4411209504, 23.6732112568, 23.9053015633, 24.1373918697, 24.3694821761]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.67391199, -0.67661923, -0.67859325, -0.67989384, -0.68053033, -0.68089379, -0.68103494, -0.6811381]",PBE,35.9133382140273,0.0154442516461313,8.0,1.0,35.503163581844824,-35.503163581844824,B,bcc,23.1629670002,2.8527315878,"[21.3329251871, 21.5574822944, 21.7820394016, 22.0065965088, 22.2311536161, 22.4557107233, 22.6802678305, 22.9048249378, 23.129382045, 23.3539391522, 23.5784962595]" +55,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,35.9133382140273,0.0154442516461313,4.0,1.0,2763.559006029338,-2763.559006029338,B,bcc,-956.5729543655,132.178392986,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,35.9133382140273,0.0154442516461313,6.0,1.0,4879.479922917924,4879.479922917924,B,bcc,1788.2974660170999,0.012129810900000001,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +57,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67803701, -0.68182738, -0.68486249, -0.68719473, -0.68888267, -0.68996074, -0.69046923, -0.69045356, -0.68994812, -0.6889854400000001, -0.68759706]",PBE,35.9133382140273,0.0154442516461313,48.0,1.0,0.6901776352566626,-0.6901776352566626,B,bcc,35.6654723856,0.0197931992,"[22.0409748057, 22.2729850668, 22.5049953279, 22.737005589, 22.9690158501, 23.2010261113, 23.4330363724, 23.6650466335, 23.8970568946, 24.1290671557, 24.3610774168]" +58,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,35.9133382140273,0.0154442516461313,4.0,1.0,2763.559006029338,-2763.559006029338,B,bcc,-956.5729543655,132.178392986,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,35.9133382140273,0.0154442516461313,6.0,1.0,4879.479922917924,4879.479922917924,B,bcc,1788.2974660170999,0.012129810900000001,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +60,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67851297, -0.6821673500000001, -0.68507617, -0.68730798, -0.68889229, -0.68987675, -0.69031941, -0.69023551, -0.68966285, -0.68864614, -0.68722572]",PBE,35.9133382140273,0.0154442516461313,32.0,1.0,1.8383670626570217,-1.8383670626570217,B,bcc,35.2531192332,0.046738867,"[22.074733418, 22.307099033, 22.5394646479, 22.7718302628, 23.0041958777, 23.2365614927, 23.4689271076, 23.7012927225, 23.9336583374, 24.1660239524, 24.3983895673]" +61,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67805026, -0.68184572, -0.68488858, -0.68722744, -0.68891293, -0.68999374, -0.69050681, -0.6904892300000001, -0.6899787, -0.68900987, -0.68761688]",PBE,35.9133382140273,0.0154442516461313,62.0,1.0,0.3288514755255241,-0.3288514755255241,B,bcc,35.7952366714,0.0170607118,"[22.0391267465, 22.2711175543, 22.5031083622, 22.7350991701, 22.9670899779, 23.1990807858, 23.4310715936, 23.6630624015, 23.8950532093, 24.1270440172, 24.3590348251]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6777171200000001, -0.68151255, -0.68455291, -0.68691291, -0.68861963, -0.6897042800000001, -0.69023106, -0.69024818, -0.68978881, -0.68887431, -0.68753548]",PBE,-0.6905837063613969,2.63052778155643e-06,30.0,2.0,-0.03979965916731059,-0.03979965916731059,E0,bcc,-0.6903088564000001,3.9732e-06,"[22.0365926446, 22.2685567777, 22.5005209108, 22.7324850439, 22.964449177, 23.1964133101, 23.4283774432, 23.6603415763, 23.8923057094, 24.1242698425, 24.3562339756]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818922, -0.6818564500000001, -0.68479606, -0.68703744, -0.68863839, -0.6896382600000001, -0.69009555, -0.6900394999999999, -0.68952032, -0.68855237, -0.6871661]",PBE,-0.6905837063613969,2.63052778155643e-06,26.0,2.0,-0.06485722980009756,-0.06485722980009756,E0,bcc,-0.6901358129,2.5831e-06,"[22.0627488893, 22.2949883513, 22.5272278133, 22.7594672752, 22.9917067372, 23.2239461992, 23.4561856612, 23.6884251232, 23.9206645852, 24.1529040472, 24.3851435092]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67828856, -0.68202397, -0.6850090400000001, -0.6872981300000001, -0.68894756, -0.68999173, -0.6904851200000001, -0.69045557, -0.6899472600000001, -0.68898626, -0.68759057]",PBE,-0.6905837063613969,2.63052778155643e-06,34.0,2.0,-0.0070064296262894645,-0.0070064296262894645,E0,bcc,-0.6905353211,1.8314e-06,"[22.0508270835, 22.2829410528, 22.515055022, 22.7471689913, 22.9792829606, 23.2113969299, 23.4435108992, 23.6756248685, 23.9077388378, 24.1398528071, 24.3719667764]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67808618, -0.6818668, -0.6848917, -0.68722236, -0.68890531, -0.6899799600000001, -0.6904921900000001, -0.69048208, -0.68998085, -0.68901139, -0.68760973]",PBE,-0.6905837063613969,2.63052778155643e-06,40.0,2.0,-0.004482390926929707,-0.004482390926929707,E0,bcc,-0.6905527517000001,1.6378e-06,"[22.0403241988, 22.2723276114, 22.504331024, 22.7363344366, 22.9683378493, 23.2003412619, 23.4323446745, 23.6643480871, 23.8963514997, 24.1283549124, 24.360358325]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781328600000001, -0.68190404, -0.68492442, -0.68724719, -0.68891596, -0.68997483, -0.69047897, -0.6904606, -0.68994534, -0.68897284, -0.68757776]",PBE,-0.6905837063613969,2.63052778155643e-06,50.0,2.0,-0.007352209577086249,-0.007352209577086249,E0,bcc,-0.6905329332,1.3653e-06,"[22.0448368489, 22.2768877631, 22.5089386773, 22.7409895915, 22.9730405057, 23.2050914199, 23.4371423341, 23.6691932483, 23.9012441625, 24.1332950767, 24.3653459909]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.6496264700000001, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,-5.9114419128842055,-5.9114419128842055,E0,bcc,-0.6497602517000001,4.3138e-06,"[22.5966360102, 22.8344953367, 23.0723546631, 23.3102139895, 23.548073315899998, 23.7859326424, 24.0237919688, 24.2616512952, 24.4995106216, 24.7373699481, 24.9752292745]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804865, -0.68184617, -0.6848907200000001, -0.68723163, -0.68891871, -0.68999698, -0.69050685, -0.69048636, -0.68997324, -0.6890012999999999, -0.68760652]",PBE,-0.6905837063613969,2.63052778155643e-06,66.0,2.0,-0.0034436319852080557,-0.0034436319852080557,E0,bcc,-0.6905599252,1.1946e-06,"[22.0388949574, 22.2708833253, 22.5028716933, 22.7348600613, 22.9668484293, 23.1988367972, 23.4308251652, 23.6628135332, 23.8948019011, 24.1267902691, 24.3587786371]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67946522, -0.68251171, -0.68481689, -0.68642337, -0.68744063, -0.68811568, -0.68825786, -0.68781, -0.68704234, -0.68585685, -0.68430886]",PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,-0.3425281018951503,-0.3425281018951503,E0,bcc,-0.6882182631,2.60332e-05,"[22.1957010504, 22.4293400088, 22.6629789673, 22.8966179257, 23.1302568841, 23.3638958425, 23.597534801, 23.8311737594, 24.0648127178, 24.2984516762, 24.5320906347]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.69940484, -0.70829118, -0.7160392, -0.72277904, -0.72863252, -0.73349698, -0.73752313, -0.74079531, -0.74326199, -0.7451253600000001, -0.7462504600000001]",PBE,-0.6905837063613969,2.63052778155643e-06,4.0,2.0,-8.144942752119835,8.144942752119835,E0,bcc,-0.7468313539,5.01476e-05,"[20.4728431559, 20.6883467681, 20.9038503802, 21.1193539924, 21.3348576046, 21.5503612167, 21.7658648289, 21.9813684411, 22.1968720532, 22.4123756654, 22.6278792776]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67814392, -0.68190384, -0.684919, -0.68723641, -0.68890683, -0.6899678, -0.6904619, -0.69043728, -0.68993199, -0.68896365, -0.68756986]",PBE,-0.6905837063613969,2.63052778155643e-06,44.0,2.0,-0.009637797819974698,-0.009637797819974698,E0,bcc,-0.6905171493000001,1.776e-06,"[22.046584474, 22.2786537843, 22.5107230945, 22.7427924048, 22.974861715, 23.2069310253, 23.4390003355, 23.6710696458, 23.903138956, 24.1352082663, 24.3672775765]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67748315, -0.68135731, -0.68447527, -0.68688746, -0.68862753, -0.68974007, -0.69030818, -0.6904048500000001, -0.69002665, -0.68921526, -0.68798071]",PBE,-0.6905837063613969,2.63052778155643e-06,22.0,2.0,-0.0215119847208023,-0.0215119847208023,E0,bcc,-0.6904351481000001,7.9158e-06,"[21.9993974633, 22.2309700681, 22.462542673, 22.6941152779, 22.9256878828, 23.1572604876, 23.3888330925, 23.6204056974, 23.8519783023, 24.0835509071, 24.315123512]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6751113, -0.6784449300000001, -0.68108616, -0.68306963, -0.68450952, -0.6851172600000001, -0.68545941, -0.68525877, -0.68456475, -0.68355937, -0.68221889]",PBE,-0.6905837063613969,2.63052778155643e-06,12.0,2.0,-0.7442453846003566,-0.7442453846003566,E0,bcc,-0.6854440690000001,2.67321e-05,"[22.2014623842, 22.4351619882, 22.6688615923, 22.9025611963, 23.1362608003, 23.3699604044, 23.6036600084, 23.8373596125, 24.0710592165, 24.3047588206, 24.5384584246]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.6739115, -0.6766192400000001, -0.67859326, -0.67989369, -0.68057565, -0.68089379, -0.68103493, -0.6811381]",PBE,-0.6905837063613969,2.63052778155643e-06,8.0,2.0,-1.3614133485617952,-1.3614133485617952,E0,bcc,-0.6811820076,7.95446e-05,"[21.332919655, 21.557476704, 21.782033753, 22.006590802, 22.231147851, 22.4557049, 22.680261949, 22.904818998, 23.129376047, 23.353933096, 23.578490145]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304805, -0.69480957, -0.69516035, -0.69584596, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,-0.6905837063613969,2.63052778155643e-06,10.0,2.0,-0.7901505622473324,0.7901505622473324,E0,bcc,-0.6960403573999999,0.0001011049,"[22.0934311736, 22.325993607, 22.5585560404, 22.7911184738, 23.0236809072, 23.2562433406, 23.488805774, 23.7213682074, 23.9539306409, 24.1864930743, 24.4190555077]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67799849, -0.68180697, -0.6848603999999999, -0.6872098600000001, -0.68890632, -0.68999431, -0.69051184, -0.6905005200000001, -0.6899947200000001, -0.68903044, -0.68764196]",PBE,-0.6905837063613969,2.63052778155643e-06,68.0,2.0,-0.002082609430882419,-0.002082609430882419,E0,bcc,-0.6905693242000001,1.0771e-06,"[22.0356499782, 22.267604188500002, 22.4995583988, 22.7315126091, 22.9634668194, 23.1954210297, 23.42737524, 23.6593294503, 23.8912836606, 24.1232378709, 24.3551920812]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67819045, -0.6818576, -0.68479688, -0.6870380500000001, -0.6886388, -0.68963848, -0.69009559, -0.69003938, -0.68951991, -0.68855174, -0.68716526]",PBE,-0.6905837063613969,2.63052778155643e-06,26.0,2.0,-0.06486438316899919,-0.06486438316899919,E0,bcc,-0.6901357634999999,2.561e-06,"[22.0628367456, 22.2950771324, 22.5273175192, 22.759557906, 22.9917982928, 23.2240386796, 23.4562790664, 23.6885194532, 23.92075984, 24.1530002268, 24.3852406136]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67946526, -0.68251175, -0.68481693, -0.6864234100000001, -0.68744063, -0.68811562, -0.68825786, -0.68780991, -0.68704234, -0.68585674, -0.68430874]",PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,-0.34253147585253085,-0.34253147585253085,E0,bcc,-0.6882182398000001,2.6037800000000007e-05,"[22.1957006021, 22.4293395558, 22.6629785095, 22.8966174632, 23.1302564169, 23.3638953706, 23.5975343243, 23.831173278, 24.0648122317, 24.2984511854, 24.5320901391]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67813394, -0.68189387, -0.6849028500000001, -0.68721077, -0.6888691, -0.68992573, -0.69042568, -0.69039796, -0.68987978, -0.68890775, -0.68751092]",PBE,-0.6905837063613969,2.63052778155643e-06,42.0,2.0,-0.015875883022852876,-0.015875883022852876,E0,bcc,-0.6904740701000001,9.935e-07,"[22.0490314197, 22.2811264873, 22.5132215549, 22.7453166224, 22.97741169, 23.2095067576, 23.4416018252, 23.6736968927, 23.9057919603, 24.1378870279, 24.3699820955]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813135, -0.68189226, -0.6849015900000001, -0.68720983, -0.68886846, -0.68992538, -0.6904256, -0.69039813, -0.68988019, -0.6889084, -0.68751207]",PBE,-0.6905837063613969,2.63052778155643e-06,42.0,2.0,-0.015878692240617956,-0.015878692240617956,E0,bcc,-0.6904740506999999,1.0132e-06,"[22.0489136444, 22.2810074722, 22.5131013, 22.7451951279, 22.9772889557, 23.2093827835, 23.4414766114, 23.6735704392, 23.905664267, 24.1377580949, 24.3698519227]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67807341, -0.6818647999999999, -0.68490222, -0.68723909, -0.68892063, -0.68999314, -0.69049887, -0.69047688, -0.68996279, -0.68899042, -0.6875943800000001]",PBE,-0.6905837063613969,2.63052778155643e-06,60.0,2.0,-0.004620129479307464,-0.004620129479307464,E0,bcc,-0.6905518005,9.471e-07,"[22.0407010043, 22.2727083833, 22.504715762300002, 22.7367231413, 22.9687305203, 23.2007378993, 23.4327452783, 23.6647526572, 23.8967600362, 24.1287674152, 24.3607747942]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804561, -0.68183835, -0.68487699, -0.68721578, -0.68890176, -0.68997821, -0.69049058, -0.69047473, -0.6899660400000001, -0.68899885, -0.68760854]",PBE,-0.6905837063613969,2.63052778155643e-06,54.0,2.0,-0.005482095949857126,-0.005482095949857126,E0,bcc,-0.6905458479000001,7.846000000000002e-07,"[22.0396052285, 22.271601073, 22.5035969176, 22.7355927621, 22.9675886066, 23.1995844511, 23.4315802956, 23.663576140099998, 23.8955719846, 24.1275678291, 24.3595636736]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67511072, -0.67844443, -0.68108577, -0.68306966, -0.6845093, -0.68511714, -0.6854593800000001, -0.68525881, -0.684565, -0.68355958, -0.68221917]",PBE,-0.6905837063613969,2.63052778155643e-06,12.0,2.0,-0.7442442551210615,-0.7442442551210615,E0,bcc,-0.6854440768000001,2.6723400000000002e-05,"[22.2014309405, 22.4351302136, 22.6688294866, 22.9025287597, 23.1362280327, 23.3699273058, 23.6036265788, 23.8373258519, 24.071025125, 24.304724398, 24.5384236711]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67796499, -0.68165643, -0.68462164, -0.68689845, -0.68853695, -0.68957927, -0.6900742400000001, -0.69003485, -0.68949881, -0.68851924, -0.6871393100000001]",PBE,-0.6905837063613969,2.63052778155643e-06,24.0,2.0,-0.06847288128014896,-0.06847288128014896,E0,bcc,-0.6901108438,4.3362e-06,"[22.0685139647, 22.3008141117, 22.5331142587, 22.7654144056, 22.9977145526, 23.2300146996, 23.4623148466, 23.6946149936, 23.9269151406, 24.1592152876, 24.3915154346]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67771651, -0.68151206, -0.68455291, -0.68691259, -0.68861963, -0.68970416, -0.69023102, -0.69024823, -0.68978894, -0.6888742999999999, -0.68753576]",PBE,-0.6905837063613969,2.63052778155643e-06,30.0,2.0,-0.03980203396994112,-0.03980203396994112,E0,bcc,-0.69030884,3.9525e-06,"[22.0365604189, 22.2685242128, 22.5004880067, 22.7324518006, 22.9644155945, 23.1963793884, 23.4283431822, 23.6603069761, 23.89227077, 24.1242345639, 24.3561983578]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67804428, -0.68183726, -0.68487614, -0.6872151400000001, -0.68890133, -0.68997797, -0.69049028, -0.69047485, -0.68996631, -0.68899927, -0.68760911]",PBE,-0.6905837063613969,2.63052778155643e-06,54.0,2.0,-0.005487685424329021,-0.005487685424329021,E0,bcc,-0.6905458093000001,7.761000000000002e-07,"[22.0395241424, 22.2715191334, 22.5035141243, 22.7355091153, 22.9675041063, 23.1994990972, 23.4314940882, 23.6634890792, 23.8954840702, 24.1274790611, 24.3594740521]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6787384200000001, -0.68255776, -0.6856196800000001, -0.68794867, -0.68960139, -0.69066352, -0.6911968900000001, -0.69122182, -0.69073511, -0.68977884, -0.68845394]",PBE,-0.6905837063613969,2.63052778155643e-06,16.0,2.0,-0.09844048336805213,0.09844048336805213,E0,bcc,-0.6912635203,9.4675e-06,"[22.0130642073, 22.2447806726, 22.4764971379, 22.7082136033, 22.9399300686, 23.171646534, 23.4033629993, 23.6350794646, 23.86679593, 24.0985123953, 24.3302288607]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67803828, -0.68182847, -0.68486335, -0.68719537, -0.6888831, -0.6899609800000001, -0.69046926, -0.69045345, -0.68994798, -0.68898501, -0.68759649]",PBE,-0.6905837063613969,2.63052778155643e-06,48.0,2.0,-0.008409271875659352,-0.008409271875659352,E0,bcc,-0.6905256332999999,1.0751e-06,"[22.0410348813, 22.2730457747, 22.5050566682, 22.7370675617, 22.9690784552, 23.2010893487, 23.4331002422, 23.6651111357, 23.8971220292, 24.1291329226, 24.3611438161]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6788797, -0.68231611, -0.68506302, -0.6871500500000001, -0.68863348, -0.68954389, -0.68988361, -0.6896943600000001, -0.68902178, -0.6879429300000001, -0.6864718200000001]",PBE,-0.6905837063613969,2.63052778155643e-06,20.0,2.0,-0.10352799447931654,-0.10352799447931654,E0,bcc,-0.6898687589,1.14999e-05,"[22.1172639111, 22.3500772155, 22.5828905198, 22.8157038241, 23.0485171284, 23.2813304328, 23.5141437371, 23.7469570414, 23.9797703458, 24.2125836501, 24.4453969544]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67811015, -0.6818930999999999, -0.6849193100000001, -0.6872478, -0.68892608, -0.68999904, -0.69050345, -0.69047346, -0.68995193, -0.68897428, -0.68757418]",PBE,-0.6905837063613969,2.63052778155643e-06,52.0,2.0,-0.00478792955760092,-0.00478792955760092,E0,bcc,-0.6905506417,1.9073e-06,"[22.0420151348, 22.2740363468, 22.5060575587, 22.7380787706, 22.9700999826, 23.2021211945, 23.4341424065, 23.6661636184, 23.8981848304, 24.1302060423, 24.3622272543]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813017, -0.68190188, -0.68492272, -0.68724593, -0.68891511, -0.68997436, -0.69047885, -0.69046083, -0.6899457, -0.68897338, -0.68757882]",PBE,-0.6905837063613969,2.63052778155643e-06,50.0,2.0,-0.007355887625056135,-0.007355887625056135,E0,bcc,-0.6905329078,1.3719000000000002e-06,"[22.0446987969, 22.2767482579, 22.5087977189, 22.7408471799, 22.9728966409, 23.204946102, 23.436995563, 23.669045024, 23.901094485, 24.133143946, 24.365193407]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6780378, -0.68181093, -0.68483187, -0.68714765, -0.68881503, -0.68987561, -0.69037869, -0.69035539, -0.68984239, -0.6888822800000001, -0.68749373]",PBE,-0.6905837063613969,2.63052778155643e-06,36.0,2.0,-0.022326208970268567,-0.022326208970268567,E0,bcc,-0.6904295252,7.657999999999998e-07,"[22.0472929937, 22.2793697621, 22.5114465305, 22.7435232988, 22.9756000672, 23.2076768355, 23.4397536039, 23.6718303722, 23.9039071406, 24.1359839089, 24.3680606773]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67809332, -0.68187673, -0.68490927, -0.6872398200000001, -0.68891672, -0.68998739, -0.6904956999999999, -0.6904748900000001, -0.68996179, -0.68899078, -0.68759421]",PBE,-0.6905837063613969,2.63052778155643e-06,56.0,2.0,-0.005110931675880595,-0.005110931675880595,E0,bcc,-0.6905484111,5.571e-07,"[22.0419707573, 22.2739915021, 22.5060122469, 22.7380329917, 22.9700537365, 23.2020744814, 23.4340952262, 23.666115971, 23.8981367158, 24.1301574606, 24.3621782054]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808706, -0.68187727, -0.68491371, -0.6872482999999999, -0.68893288, -0.69000721, -0.69051379, -0.69048622, -0.6899685, -0.68899318, -0.68759487]",PBE,-0.6905837063613969,2.63052778155643e-06,58.0,2.0,-0.002988813840621925,-0.002988813840621925,E0,bcc,-0.6905630661000001,1.7416e-06,"[22.0401036978, 22.2721047893, 22.5041058809, 22.736106972400002, 22.968108064, 23.2001091555, 23.4321102471, 23.6641113386, 23.8961124302, 24.1281135218, 24.3601146133]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818481, -0.68194727, -0.68496167, -0.68727371, -0.68893647, -0.6899952500000001, -0.69049699, -0.69047126, -0.68994082, -0.68895233, -0.68754531]",PBE,-0.6905837063613969,2.63052778155643e-06,46.0,2.0,-0.005637877209995958,-0.005637877209995958,E0,bcc,-0.6905447721,2.1208e-06,"[22.0461147559, 22.2781791217, 22.5102434876, 22.7423078534, 22.9743722193, 23.2064365851, 23.438500951, 23.6705653168, 23.9026296827, 24.1346940485, 24.3667584144]" +34,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67828982, -0.68202499, -0.68500988, -0.68729876, -0.68894798, -0.68999196, -0.69048518, -0.69045545, -0.68994731, -0.68898583, -0.68758999]",PBE,-0.6905837063613969,2.63052778155643e-06,34.0,2.0,-0.006998682556762356,-0.006998682556762356,E0,bcc,-0.6905353745999999,1.8496e-06,"[22.0508885569, 22.2830031733, 22.5151177896, 22.747232406, 22.9793470224, 23.2114616388, 23.4435762552, 23.6756908716, 23.907805488, 24.1399201044, 24.3720347208]" +35,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67809398, -0.68187727, -0.6849097, -0.68724014, -0.68891693, -0.68998763, -0.69049573, -0.69047484, -0.68996165, -0.68899057, -0.68759393]",PBE,-0.6905837063613969,2.63052778155643e-06,56.0,2.0,-0.005109049210372552,-0.005109049210372552,E0,bcc,-0.6905484241000001,5.497e-07,"[22.0420175711, 22.2740388087, 22.5060600463, 22.7380812839, 22.9701025215, 23.2021237591, 23.4341449967, 23.6661662343, 23.898187471900002, 24.1302087094, 24.362229947]" +36,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6785143100000001, -0.6821684, -0.68507699, -0.6873085800000001, -0.68889269, -0.68987696, -0.69031994, -0.69023531, -0.68966255, -0.68864569, -0.6872253500000001]",PBE,-0.6905837063613969,2.63052778155643e-06,32.0,2.0,-0.034974147112356524,-0.034974147112356524,E0,bcc,-0.6903421806000001,2.7418e-06,"[22.0748172621, 22.3071837596, 22.5395502571, 22.7719167546, 23.0042832521, 23.2366497496, 23.4690162471, 23.7013827446, 23.9337492421, 24.1661157396, 24.3984822371]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808679, -0.68186729, -0.68489212, -0.68722268, -0.68890553, -0.6899800700000001, -0.69049222, -0.69048203, -0.68998072, -0.68901117, -0.68760944]",PBE,-0.6905837063613969,2.63052778155643e-06,40.0,2.0,-0.00448360728927109,-0.00448360728927109,E0,bcc,-0.6905527432999999,1.6381e-06,"[22.0403590587, 22.2723628383, 22.5043666178, 22.7363703974, 22.968374177, 23.2003779565, 23.4323817361, 23.6643855157, 23.8963892952, 24.1283930748, 24.3603968544]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804186, -0.6818136300000001, -0.68483441, -0.6871495400000001, -0.68881632, -0.68987631, -0.69037883, -0.69035505, -0.68984157, -0.68888101, -0.68749231]",PBE,-0.6905837063613969,2.63052778155643e-06,36.0,2.0,-0.02233627292043827,-0.02233627292043827,E0,bcc,-0.6904294556999999,7.914000000000002e-07,"[22.0475036688, 22.2795826548, 22.5116616408, 22.7437406268, 22.9758196128, 23.2078985988, 23.4399775848, 23.6720565708, 23.9041355567, 24.1362145427, 24.3682935287]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6788803, -0.68231666, -0.68506343, -0.68715033, -0.68863368, -0.6895439800000001, -0.68988361, -0.68969427, -0.68902165, -0.6879427, -0.68647183]",PBE,-0.6905837063613969,2.63052778155643e-06,20.0,2.0,-0.10353461206956455,-0.10353461206956455,E0,bcc,-0.6898687132,1.15164e-05,"[22.1172928563, 22.3501064653, 22.5829200743, 22.8157336833, 23.0485472924, 23.2813609014, 23.5141745104, 23.7469881194, 23.9798017284, 24.2126153374, 24.4454289464]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781868600000001, -0.68194888, -0.68496294, -0.68727465, -0.68893711, -0.6899955999999999, -0.69049708, -0.69047108, -0.68994039, -0.6889516800000001, -0.68754445]",PBE,-0.6905837063613969,2.63052778155643e-06,46.0,2.0,-0.005642699217766043,-0.005642699217766043,E0,bcc,-0.6905447388,2.1197e-06,"[22.046232815, 22.2782984235, 22.5103640321, 22.7424296407, 22.9744952493, 23.2065608579, 23.4386264664, 23.670692075, 23.9027576836, 24.1348232922, 24.3668889007]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67836057, -0.68180987, -0.68451008, -0.68651527, -0.6879006, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,-0.6905837063613969,2.63052778155643e-06,18.0,2.0,-0.22269978964605716,-0.22269978964605716,E0,bcc,-0.6890457779000001,8.5079e-06,"[22.1518020737, 22.3849789376, 22.6181558015, 22.8513326655, 23.084509529400002, 23.3176863933, 23.5508632573, 23.7840401212, 24.0172169851, 24.2503938491, 24.483570713]" +42,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67796493, -0.6816569100000001, -0.68462164, -0.68689876, -0.68853695, -0.68957938, -0.69007427, -0.69003479, -0.68949867, -0.68851903, -0.68713903]",PBE,-0.6905837063613969,2.63052778155643e-06,24.0,2.0,-0.06847777569044415,-0.06847777569044415,E0,bcc,-0.69011081,4.3242e-06,"[22.0685413596, 22.3008417949, 22.5331422303, 22.7654426657, 22.997743101, 23.2300435364, 23.4623439718, 23.6946444071, 23.9269448425, 24.1592452779, 24.3915457132]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67867938, -0.68233707, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.68985789, -0.68885979, -0.68744647]",PBE,-0.6905837063613969,2.63052778155643e-06,28.0,2.0,-0.010312763064180684,-0.010312763064180684,E0,bcc,-0.6905124881,2.9518000000000007e-06,"[22.0726319133, 22.3049754072, 22.537318901, 22.7696623948, 23.0020058886, 23.2343493825, 23.4666928763, 23.6990363701, 23.9313798639, 24.1637233578, 24.3960668516]" +44,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67867933, -0.68233701, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.6898579300000001, -0.68885982, -0.68744647]",PBE,-0.6905837063613969,2.63052778155643e-06,28.0,2.0,-0.010310793715658592,-0.010310793715658592,E0,bcc,-0.6905125017,2.9460000000000007e-06,"[22.0726338233, 22.3049773372, 22.5373208512, 22.7696643651, 23.002007879, 23.2343513929, 23.4666949069, 23.6990384208, 23.9313819347, 24.1637254487, 24.3960689626]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.64962646, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,-5.91144220249429,-5.91144220249429,E0,bcc,-0.6497602497,4.3131e-06,"[22.5966369513, 22.8344962876, 23.072355624, 23.3102149603, 23.5480742966, 23.785933633, 24.0237929693, 24.2616523056, 24.499511642, 24.7373709783, 24.9752303146]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67748253, -0.6813568, -0.68447483, -0.68688713, -0.68862731, -0.68973985, -0.69030812, -0.69040492, -0.69002675, -0.68921562, -0.68798095]",PBE,-0.6905837063613969,2.63052778155643e-06,22.0,2.0,-0.021509421671638655,-0.021509421671638655,E0,bcc,-0.6904351658,7.931800000000001e-06,"[21.9993464121, 22.2309184796, 22.4624905471, 22.6940626146, 22.9256346821, 23.1572067496, 23.388778817, 23.6203508845, 23.851922952, 24.0834950195, 24.315067087]" +47,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304806, -0.69480957, -0.69516025, -0.6958458, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,-0.6905837063613969,2.63052778155643e-06,10.0,2.0,-0.7901433799174528,0.7901433799174528,E0,bcc,-0.6960403078,0.0001011243,"[22.0934305547, 22.3259929816, 22.5585554085, 22.7911178353, 23.0236802622, 23.2562426891, 23.488805116, 23.7213675429, 23.9539299698, 24.1864923967, 24.4190548236]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67812052, -0.68187016, -0.68486919, -0.68717045, -0.6888321900000001, -0.68988906, -0.69038446, -0.6903599300000001, -0.68985236, -0.68890249, -0.68752195]",PBE,-0.6905837063613969,2.63052778155643e-06,38.0,2.0,-0.021385917454522972,-0.021385917454522972,E0,bcc,-0.6904360187,1.3791e-06,"[22.048455068, 22.2805440687, 22.5126330694, 22.7447220701, 22.9768110708, 23.2089000715, 23.4409890723, 23.673078073, 23.9051670737, 24.1372560744, 24.3693450751]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67811147, -0.68189418, -0.6849201500000001, -0.68724875, -0.68892651, -0.68999927, -0.6905034999999999, -0.69047334, -0.68995152, -0.68897396, -0.6875736]",PBE,-0.6905837063613969,2.63052778155643e-06,52.0,2.0,-0.004793605915102941,-0.004793605915102941,E0,bcc,-0.6905506025,1.8944e-06,"[22.0420962552, 22.2741183211, 22.5061403869, 22.7381624528, 22.9701845186, 23.2022065845, 23.4342286503, 23.6662507161, 23.898272782, 24.1302948478, 24.3623169137]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67836061, -0.6818099200000001, -0.68451012, -0.68651531, -0.68790078, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,-0.6905837063613969,2.63052778155643e-06,18.0,2.0,-0.22269653153270072,-0.22269653153270072,E0,bcc,-0.6890458004000001,8.4954e-06,"[22.1518038779, 22.3849807608, 22.6181576438, 22.8513345267, 23.0845114096, 23.3176882926, 23.5508651755, 23.7840420584, 24.0172189413, 24.2503958243, 24.4835727072]" +51,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67814584, -0.68190545, -0.68492027, -0.68723736, -0.68890747, -0.68996815, -0.69046201, -0.69043711, -0.68993158, -0.688963, -0.68756901]",PBE,-0.6905837063613969,2.63052778155643e-06,44.0,2.0,-0.009642084049107236,-0.009642084049107236,E0,bcc,-0.6905171197000001,1.7706999999999996e-06,"[22.0467018767, 22.2787724228, 22.5108429688, 22.7429135149, 22.974984061, 23.207054607, 23.4391251531, 23.6711956992, 23.9032662453, 24.1353367913, 24.3674073374]" +52,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67873776, -0.68255717, -0.68561965, -0.6879483200000001, -0.68960117, -0.6906633999999999, -0.6911968900000001, -0.69122187, -0.69073522, -0.68977885, -0.68845426]",PBE,-0.6905837063613969,2.63052778155643e-06,16.0,2.0,-0.09843584960683122,0.09843584960683122,E0,bcc,-0.6912634883000001,9.5018e-06,"[22.0130428411, 22.2447590816, 22.476475322, 22.7081915624, 22.9399078029, 23.1716240433, 23.4033402837, 23.6350565242, 23.8667727646, 24.098489005, 24.3302052455]" +53,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67812244, -0.68187176, -0.68487088, -0.68717185, -0.6888328300000001, -0.68988941, -0.69038457, -0.69035976, -0.68985195, -0.68890221, -0.68752125]",PBE,-0.6905837063613969,2.63052778155643e-06,38.0,2.0,-0.02138895836033624,-0.02138895836033624,E0,bcc,-0.6904359977,1.3675e-06,"[22.0485791117, 22.2806694182, 22.5127597246, 22.7448500311, 22.9769403375, 23.2090306439, 23.4411209504, 23.6732112568, 23.9053015633, 24.1373918697, 24.3694821761]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.67391199, -0.67661923, -0.67859325, -0.67989384, -0.68053033, -0.68089379, -0.68103494, -0.6811381]",PBE,-0.6905837063613969,2.63052778155643e-06,8.0,2.0,-1.3624575811339807,-1.3624575811339807,E0,bcc,-0.6811747963,8.15124e-05,"[21.3329251871, 21.5574822944, 21.7820394016, 22.0065965088, 22.2311536161, 22.4557107233, 22.6802678305, 22.9048249378, 23.129382045, 23.3539391522, 23.5784962595]" +55,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,-0.6905837063613969,2.63052778155643e-06,4.0,2.0,-103.68363825640094,-103.68363825640094,E0,bcc,0.0254386056,0.07827574670000001,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,-75.61797168514748,75.61797168514748,E0,bcc,-1.2127890979,1.6216e-06,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.044711787, -1.0572911, 0.044711787, -1.0572911, -0.23548788, -1.2842178, -0.23548788, -1.2842178]",PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,-2817.003608941337,-2817.003608941337,E0,bcc,18.7631842246,1689866.0494492918,"[23.3638958425, 20.2100533626, 23.3638953706, 20.2100575466, 22.7926388283, 20.0308107685, 22.7924462078, 20.0308457806]" +58,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67803701, -0.68182738, -0.68486249, -0.68719473, -0.68888267, -0.68996074, -0.69046923, -0.69045356, -0.68994812, -0.6889854400000001, -0.68759706]",PBE,-0.6905837063613969,2.63052778155643e-06,48.0,2.0,-0.008408982265575009,-0.008408982265575009,E0,bcc,-0.6905256353,1.0827e-06,"[22.0409748057, 22.2729850668, 22.5049953279, 22.737005589, 22.9690158501, 23.2010261113, 23.4330363724, 23.6650466335, 23.8970568946, 24.1290671557, 24.3610774168]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,-0.6905837063613969,2.63052778155643e-06,4.0,2.0,-103.68363825640094,-103.68363825640094,E0,bcc,0.0254386056,0.07827574670000001,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,-0.6905837063613969,2.63052778155643e-06,6.0,2.0,-75.61797168514748,75.61797168514748,E0,bcc,-1.2127890979,1.6216e-06,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +61,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.044711787, -1.0572911, 0.044711787, -1.0572911, -0.23548788, -1.2842178, -0.23548788, -1.2842178]",PBE,-0.6905837063613969,2.63052778155643e-06,14.0,2.0,-2817.003608941337,-2817.003608941337,E0,bcc,18.7631842246,1689866.0494492918,"[23.3638958425, 20.2100533626, 23.3638953706, 20.2100575466, 22.7926388283, 20.0308107685, 22.7924462078, 20.0308457806]" +62,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67851297, -0.6821673500000001, -0.68507617, -0.68730798, -0.68889229, -0.68987675, -0.69031941, -0.69023551, -0.68966285, -0.68864614, -0.68722572]",PBE,-0.6905837063613969,2.63052778155643e-06,32.0,2.0,-0.03498283541466177,-0.03498283541466177,E0,bcc,-0.6903421206,2.6878e-06,"[22.074733418, 22.307099033, 22.5394646479, 22.7718302628, 23.0041958777, 23.2365614927, 23.4689271076, 23.7012927225, 23.9336583374, 24.1660239524, 24.3983895673]" +63,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67805026, -0.68184572, -0.68488858, -0.68722744, -0.68891293, -0.68999374, -0.69050681, -0.6904892300000001, -0.6899787, -0.68900987, -0.68761688]",PBE,-0.6905837063613969,2.63052778155643e-06,62.0,2.0,-0.0033352743751064685,-0.0033352743751064685,E0,bcc,-0.6905606734999999,9.341e-07,"[22.0391267465, 22.2711175543, 22.5031083622, 22.7350991701, 22.9670899779, 23.1990807858, 23.4310715936, 23.6630624015, 23.8950532093, 24.1270440172, 24.3590348251]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6777171200000001, -0.68151255, -0.68455291, -0.68691291, -0.68861963, -0.6897042800000001, -0.69023106, -0.69024818, -0.68978881, -0.68887431, -0.68753548]",PBE,7.30038909274616,0.108126856330785,30.0,1.0,12.515316109027689,-12.515316109027689,dB,bcc,6.3867223206,0.1023442753,"[22.0365926446, 22.2685567777, 22.5005209108, 22.7324850439, 22.964449177, 23.1964133101, 23.4283774432, 23.6603415763, 23.8923057094, 24.1242698425, 24.3562339756]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818922, -0.6818564500000001, -0.68479606, -0.68703744, -0.68863839, -0.6896382600000001, -0.69009555, -0.6900394999999999, -0.68952032, -0.68855237, -0.6871661]",PBE,7.30038909274616,0.108126856330785,26.0,1.0,11.180692492913696,-11.180692492913696,dB,bcc,6.4841550375,0.06834614879999999,"[22.0627488893, 22.2949883513, 22.5272278133, 22.7594672752, 22.9917067372, 23.2239461992, 23.4561856612, 23.6884251232, 23.9206645852, 24.1529040472, 24.3851435092]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67828856, -0.68202397, -0.6850090400000001, -0.6872981300000001, -0.68894756, -0.68999173, -0.6904851200000001, -0.69045557, -0.6899472600000001, -0.68898626, -0.68759057]",PBE,7.30038909274616,0.108126856330785,34.0,1.0,15.910679784181573,-15.910679784181573,dB,bcc,6.1388475612,0.047644742100000005,"[22.0508270835, 22.2829410528, 22.515055022, 22.7471689913, 22.9792829606, 23.2113969299, 23.4435108992, 23.6756248685, 23.9077388378, 24.1398528071, 24.3719667764]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67808618, -0.6818668, -0.6848917, -0.68722236, -0.68890531, -0.6899799600000001, -0.6904921900000001, -0.69048208, -0.68998085, -0.68901139, -0.68760973]",PBE,7.30038909274616,0.108126856330785,40.0,1.0,19.290956164863807,-19.290956164863807,dB,bcc,5.892074233,0.0420322935,"[22.0403241988, 22.2723276114, 22.504331024, 22.7363344366, 22.9683378493, 23.2003412619, 23.4323446745, 23.6643480871, 23.8963514997, 24.1283549124, 24.360358325]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781328600000001, -0.68190404, -0.68492442, -0.68724719, -0.68891596, -0.68997483, -0.69047897, -0.6904606, -0.68994534, -0.68897284, -0.68757776]",PBE,7.30038909274616,0.108126856330785,50.0,1.0,16.48409549488108,-16.48409549488108,dB,bcc,6.096985983200001,0.035132391900000004,"[22.0448368489, 22.2768877631, 22.5089386773, 22.7409895915, 22.9730405057, 23.2050914199, 23.4371423341, 23.6691932483, 23.9012441625, 24.1332950767, 24.3653459909]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.6496264700000001, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,7.30038909274616,0.108126856330785,6.0,1.0,16.871260943853724,16.871260943853724,dB,bcc,8.5320567865,0.1685789283,"[22.5966360102, 22.8344953367, 23.0723546631, 23.3102139895, 23.548073315899998, 23.7859326424, 24.0237919688, 24.2616512952, 24.4995106216, 24.7373699481, 24.9752292745]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804865, -0.68184617, -0.6848907200000001, -0.68723163, -0.68891871, -0.68999698, -0.69050685, -0.69048636, -0.68997324, -0.6890012999999999, -0.68760652]",PBE,7.30038909274616,0.108126856330785,66.0,1.0,16.63631396103164,-16.63631396103164,dB,bcc,6.0858734429,0.0305201974,"[22.0388949574, 22.2708833253, 22.5028716933, 22.7348600613, 22.9668484293, 23.1988367972, 23.4308251652, 23.6628135332, 23.8948019011, 24.1267902691, 24.3587786371]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67946522, -0.68251171, -0.68481689, -0.68642337, -0.68744063, -0.68811568, -0.68825786, -0.68781, -0.68704234, -0.68585685, -0.68430886]",PBE,7.30038909274616,0.108126856330785,14.0,1.0,6.189454941451461,-6.189454941451461,dB,bcc,6.848534799299999,0.8300109970999999,"[22.1957010504, 22.4293400088, 22.6629789673, 22.8966179257, 23.1302568841, 23.3638958425, 23.597534801, 23.8311737594, 24.0648127178, 24.2984516762, 24.5320906347]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.69940484, -0.70829118, -0.7160392, -0.72277904, -0.72863252, -0.73349698, -0.73752313, -0.74079531, -0.74326199, -0.7451253600000001, -0.7462504600000001]",PBE,7.30038909274616,0.108126856330785,4.0,1.0,26.556577607247416,-26.556577607247416,dB,bcc,5.3616555977,0.22068735890000002,"[20.4728431559, 20.6883467681, 20.9038503802, 21.1193539924, 21.3348576046, 21.5503612167, 21.7658648289, 21.9813684411, 22.1968720532, 22.4123756654, 22.6278792776]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67814392, -0.68190384, -0.684919, -0.68723641, -0.68890683, -0.6899678, -0.6904619, -0.69043728, -0.68993199, -0.68896365, -0.68756986]",PBE,7.30038909274616,0.108126856330785,44.0,1.0,16.198389787486338,-16.198389787486338,dB,bcc,6.1178436115,0.0458011102,"[22.046584474, 22.2786537843, 22.5107230945, 22.7427924048, 22.974861715, 23.2069310253, 23.4390003355, 23.6710696458, 23.903138956, 24.1352082663, 24.3672775765]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67748315, -0.68135731, -0.68447527, -0.68688746, -0.68862753, -0.68974007, -0.69030818, -0.6904048500000001, -0.69002665, -0.68921526, -0.68798071]",PBE,7.30038909274616,0.108126856330785,22.0,1.0,3.814315201781833,3.814315201781833,dB,bcc,7.5788489437,0.2045498977,"[21.9993974633, 22.2309700681, 22.462542673, 22.6941152779, 22.9256878828, 23.1572604876, 23.3888330925, 23.6204056974, 23.8519783023, 24.0835509071, 24.315123512]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6751113, -0.6784449300000001, -0.68108616, -0.68306963, -0.68450952, -0.6851172600000001, -0.68545941, -0.68525877, -0.68456475, -0.68355937, -0.68221889]",PBE,7.30038909274616,0.108126856330785,12.0,1.0,14.130069602438217,14.130069602438217,dB,bcc,8.3319391528,0.776349217,"[22.2014623842, 22.4351619882, 22.6688615923, 22.9025611963, 23.1362608003, 23.3699604044, 23.6036600084, 23.8373596125, 24.0710592165, 24.3047588206, 24.5384584246]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.6739115, -0.6766192400000001, -0.67859326, -0.67989369, -0.68057565, -0.68089379, -0.68103493, -0.6811381]",PBE,7.30038909274616,0.108126856330785,8.0,1.0,105.24588125156518,105.24588125156518,dB,bcc,14.9837479282,2.0427073958,"[21.332919655, 21.557476704, 21.782033753, 22.006590802, 22.231147851, 22.4557049, 22.680261949, 22.904818998, 23.129376047, 23.353933096, 23.578490145]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304805, -0.69480957, -0.69516035, -0.69584596, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,7.30038909274616,0.108126856330785,10.0,1.0,16.24225317842342,16.24225317842342,dB,bcc,8.4861367722,3.1708299824,"[22.0934311736, 22.325993607, 22.5585560404, 22.7911184738, 23.0236809072, 23.2562433406, 23.488805774, 23.7213682074, 23.9539306409, 24.1864930743, 24.4190555077]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67799849, -0.68180697, -0.6848603999999999, -0.6872098600000001, -0.68890632, -0.68999431, -0.69051184, -0.6905005200000001, -0.6899947200000001, -0.68903044, -0.68764196]",PBE,7.30038909274616,0.108126856330785,68.0,1.0,16.816294458414376,-16.816294458414376,dB,bcc,6.0727341663,0.027470916600000003,"[22.0356499782, 22.267604188500002, 22.4995583988, 22.7315126091, 22.9634668194, 23.1954210297, 23.42737524, 23.6593294503, 23.8912836606, 24.1232378709, 24.3551920812]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67819045, -0.6818576, -0.68479688, -0.6870380500000001, -0.6886388, -0.68963848, -0.69009559, -0.69003938, -0.68951991, -0.68855174, -0.68716526]",PBE,7.30038909274616,0.108126856330785,26.0,1.0,11.186971939038768,-11.186971939038768,dB,bcc,6.4836966135,0.0677620265,"[22.0628367456, 22.2950771324, 22.5273175192, 22.759557906, 22.9917982928, 23.2240386796, 23.4562790664, 23.6885194532, 23.92075984, 24.1530002268, 24.3852406136]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67946526, -0.68251175, -0.68481693, -0.6864234100000001, -0.68744063, -0.68811562, -0.68825786, -0.68780991, -0.68704234, -0.68585674, -0.68430874]",PBE,7.30038909274616,0.108126856330785,14.0,1.0,6.188777798091388,-6.188777798091388,dB,bcc,6.8485842334,0.8301474267000001,"[22.1957006021, 22.4293395558, 22.6629785095, 22.8966174632, 23.1302564169, 23.3638953706, 23.5975343243, 23.831173278, 24.0648122317, 24.2984511854, 24.5320901391]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67813394, -0.68189387, -0.6849028500000001, -0.68721077, -0.6888691, -0.68992573, -0.69042568, -0.69039796, -0.68987978, -0.68890775, -0.68751092]",PBE,7.30038909274616,0.108126856330785,42.0,1.0,16.341588587813106,-16.341588587813106,dB,bcc,6.107389541900001,0.0256498248,"[22.0490314197, 22.2811264873, 22.5132215549, 22.7453166224, 22.97741169, 23.2095067576, 23.4416018252, 23.6736968927, 23.9057919603, 24.1378870279, 24.3699820955]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813135, -0.68189226, -0.6849015900000001, -0.68720983, -0.68886846, -0.68992538, -0.6904256, -0.69039813, -0.68988019, -0.6889084, -0.68751207]",PBE,7.30038909274616,0.108126856330785,42.0,1.0,16.264313247713705,-16.264313247713705,dB,bcc,6.1130309424,0.026157129900000003,"[22.0489136444, 22.2810074722, 22.5131013, 22.7451951279, 22.9772889557, 23.2093827835, 23.4414766114, 23.6735704392, 23.905664267, 24.1377580949, 24.3698519227]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67807341, -0.6818647999999999, -0.68490222, -0.68723909, -0.68892063, -0.68999314, -0.69049887, -0.69047688, -0.68996279, -0.68899042, -0.6875943800000001]",PBE,7.30038909274616,0.108126856330785,60.0,1.0,16.255874324908728,-16.255874324908728,dB,bcc,6.1136470166,0.0242438244,"[22.0407010043, 22.2727083833, 22.504715762300002, 22.7367231413, 22.9687305203, 23.2007378993, 23.4327452783, 23.6647526572, 23.8967600362, 24.1287674152, 24.3607747942]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804561, -0.68183835, -0.68487699, -0.68721578, -0.68890176, -0.68997821, -0.69049058, -0.69047473, -0.6899660400000001, -0.68899885, -0.68760854]",PBE,7.30038909274616,0.108126856330785,54.0,1.0,16.724824540644715,-16.724824540644715,dB,bcc,6.0794118262,0.020086726200000002,"[22.0396052285, 22.271601073, 22.5035969176, 22.7355927621, 22.9675886066, 23.1995844511, 23.4315802956, 23.663576140099998, 23.8955719846, 24.1275678291, 24.3595636736]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67511072, -0.67844443, -0.68108577, -0.68306966, -0.6845093, -0.68511714, -0.6854593800000001, -0.68525881, -0.684565, -0.68355958, -0.68221917]",PBE,7.30038909274616,0.108126856330785,12.0,1.0,14.143168533027412,14.143168533027412,dB,bcc,8.3328954257,0.7760784640999999,"[22.2014309405, 22.4351302136, 22.6688294866, 22.9025287597, 23.1362280327, 23.3699273058, 23.6036265788, 23.8373258519, 24.071025125, 24.304724398, 24.5384236711]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67796499, -0.68165643, -0.68462164, -0.68689845, -0.68853695, -0.68957927, -0.6900742400000001, -0.69003485, -0.68949881, -0.68851924, -0.6871393100000001]",PBE,7.30038909274616,0.108126856330785,24.0,1.0,20.044969890717038,-20.044969890717038,dB,bcc,5.837028297200002,0.1132195599,"[22.0685139647, 22.3008141117, 22.5331142587, 22.7654144056, 22.9977145526, 23.2300146996, 23.4623148466, 23.6946149936, 23.9269151406, 24.1592152876, 24.3915154346]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67771651, -0.68151206, -0.68455291, -0.68691259, -0.68861963, -0.68970416, -0.69023102, -0.69024823, -0.68978894, -0.6888742999999999, -0.68753576]",PBE,7.30038909274616,0.108126856330785,30.0,1.0,12.480520885543996,-12.480520885543996,dB,bcc,6.3892625073,0.1018099659,"[22.0365604189, 22.2685242128, 22.5004880067, 22.7324518006, 22.9644155945, 23.1963793884, 23.4283431822, 23.6603069761, 23.89227077, 24.1242345639, 24.3561983578]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6787384200000001, -0.68255776, -0.6856196800000001, -0.68794867, -0.68960139, -0.69066352, -0.6911968900000001, -0.69122182, -0.69073511, -0.68977884, -0.68845394]",PBE,7.30038909274616,0.108126856330785,16.0,1.0,6.188836094984147,-6.188836094984147,dB,bcc,6.8485799775,0.2442183873,"[22.0130642073, 22.2447806726, 22.4764971379, 22.7082136033, 22.9399300686, 23.171646534, 23.4033629993, 23.6350794646, 23.86679593, 24.0985123953, 24.3302288607]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67803828, -0.68182847, -0.68486335, -0.68719537, -0.6888831, -0.6899609800000001, -0.69046926, -0.69045345, -0.68994798, -0.68898501, -0.68759649]",PBE,7.30038909274616,0.108126856330785,48.0,1.0,16.466790010420585,-16.466790010420585,dB,bcc,6.0982493509000015,0.0275631518,"[22.0410348813, 22.2730457747, 22.5050566682, 22.7370675617, 22.9690784552, 23.2010893487, 23.4331002422, 23.6651111357, 23.8971220292, 24.1291329226, 24.3611438161]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6788797, -0.68231611, -0.68506302, -0.6871500500000001, -0.68863348, -0.68954389, -0.68988361, -0.6896943600000001, -0.68902178, -0.6879429300000001, -0.6864718200000001]",PBE,7.30038909274616,0.108126856330785,20.0,1.0,24.74185814343641,-24.74185814343641,dB,bcc,5.494137179500001,0.31536907680000004,"[22.1172639111, 22.3500772155, 22.5828905198, 22.8157038241, 23.0485171284, 23.2813304328, 23.5141437371, 23.7469570414, 23.9797703458, 24.2125836501, 24.4453969544]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67811015, -0.6818930999999999, -0.6849193100000001, -0.6872478, -0.68892608, -0.68999904, -0.69050345, -0.69047346, -0.68995193, -0.68897428, -0.68757418]",PBE,7.30038909274616,0.108126856330785,52.0,1.0,17.741117336239963,-17.741117336239963,dB,bcc,6.0052184978,0.0488735095,"[22.0420151348, 22.2740363468, 22.5060575587, 22.7380787706, 22.9700999826, 23.2021211945, 23.4341424065, 23.6661636184, 23.8981848304, 24.1302060423, 24.3622272543]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813017, -0.68190188, -0.68492272, -0.68724593, -0.68891511, -0.68997436, -0.69047885, -0.69046083, -0.6899457, -0.68897338, -0.68757882]",PBE,7.30038909274616,0.108126856330785,50.0,1.0,16.473549422744124,-16.473549422744124,dB,bcc,6.0977558875,0.035299217,"[22.0446987969, 22.2767482579, 22.5087977189, 22.7408471799, 22.9728966409, 23.204946102, 23.436995563, 23.669045024, 23.901094485, 24.133143946, 24.365193407]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6780378, -0.68181093, -0.68483187, -0.68714765, -0.68881503, -0.68987561, -0.69037869, -0.69035539, -0.68984239, -0.6888822800000001, -0.68749373]",PBE,7.30038909274616,0.108126856330785,36.0,1.0,14.457169751333671,-14.457169751333671,dB,bcc,6.2449594491,0.0197424736,"[22.0472929937, 22.2793697621, 22.5114465305, 22.7435232988, 22.9756000672, 23.2076768355, 23.4397536039, 23.6718303722, 23.9039071406, 24.1359839089, 24.3680606773]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67809332, -0.68187673, -0.68490927, -0.6872398200000001, -0.68891672, -0.68998739, -0.6904956999999999, -0.6904748900000001, -0.68996179, -0.68899078, -0.68759421]",PBE,7.30038909274616,0.108126856330785,56.0,1.0,16.84616714290138,-16.84616714290138,dB,bcc,6.0705533441,0.0142862226,"[22.0419707573, 22.2739915021, 22.5060122469, 22.7380329917, 22.9700537365, 23.2020744814, 23.4340952262, 23.666115971, 23.8981367158, 24.1301574606, 24.3621782054]" +31,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808706, -0.68187727, -0.68491371, -0.6872482999999999, -0.68893288, -0.69000721, -0.69051379, -0.69048622, -0.6899685, -0.68899318, -0.68759487]",PBE,7.30038909274616,0.108126856330785,58.0,1.0,17.09423952739928,-17.09423952739928,dB,bcc,6.0524430948,0.044546450300000005,"[22.0401036978, 22.2721047893, 22.5041058809, 22.736106972400002, 22.968108064, 23.2001091555, 23.4321102471, 23.6641113386, 23.8961124302, 24.1281135218, 24.3601146133]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818481, -0.68194727, -0.68496167, -0.68727371, -0.68893647, -0.6899952500000001, -0.69049699, -0.69047126, -0.68994082, -0.68895233, -0.68754531]",PBE,7.30038909274616,0.108126856330785,46.0,1.0,18.961093719258983,-18.961093719258983,dB,bcc,5.916155475,0.054551118600000004,"[22.0461147559, 22.2781791217, 22.5102434876, 22.7423078534, 22.9743722193, 23.2064365851, 23.438500951, 23.6705653168, 23.9026296827, 24.1346940485, 24.3667584144]" +33,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67828982, -0.68202499, -0.68500988, -0.68729876, -0.68894798, -0.68999196, -0.69048518, -0.69045545, -0.68994731, -0.68898583, -0.68758999]",PBE,7.30038909274616,0.108126856330785,34.0,1.0,15.926518138621462,-15.926518138621462,dB,bcc,6.1376912997,0.0481201164,"[22.0508885569, 22.2830031733, 22.5151177896, 22.747232406, 22.9793470224, 23.2114616388, 23.4435762552, 23.6756908716, 23.907805488, 24.1399201044, 24.3720347208]" +34,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67809398, -0.68187727, -0.6849097, -0.68724014, -0.68891693, -0.68998763, -0.69049573, -0.69047484, -0.68996165, -0.68899057, -0.68759393]",PBE,7.30038909274616,0.108126856330785,56.0,1.0,16.846766850662775,-16.846766850662775,dB,bcc,6.070509563099999,0.0140967204,"[22.0420175711, 22.2740388087, 22.5060600463, 22.7380812839, 22.9701025215, 23.2021237591, 23.4341449967, 23.6661662343, 23.898187471900002, 24.1302087094, 24.362229947]" +35,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808679, -0.68186729, -0.68489212, -0.68722268, -0.68890553, -0.6899800700000001, -0.69049222, -0.69048203, -0.68998072, -0.68901117, -0.68760944]",PBE,7.30038909274616,0.108126856330785,40.0,1.0,19.288991543551465,-19.288991543551465,dB,bcc,5.892217658,0.0420409455,"[22.0403590587, 22.2723628383, 22.5043666178, 22.7363703974, 22.968374177, 23.2003779565, 23.4323817361, 23.6643855157, 23.8963892952, 24.1283930748, 24.3603968544]" +36,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6785143100000001, -0.6821684, -0.68507699, -0.6873085800000001, -0.68889269, -0.68987696, -0.69031994, -0.69023531, -0.68966255, -0.68864569, -0.6872253500000001]",PBE,7.30038909274616,0.108126856330785,32.0,1.0,16.25560475708501,-16.25560475708501,dB,bcc,6.1136666961,0.0723668141,"[22.0748172621, 22.3071837596, 22.5395502571, 22.7719167546, 23.0042832521, 23.2366497496, 23.4690162471, 23.7013827446, 23.9337492421, 24.1661157396, 24.3984822371]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804186, -0.6818136300000001, -0.68483441, -0.6871495400000001, -0.68881632, -0.68987631, -0.69037883, -0.69035505, -0.68984157, -0.68888101, -0.68749231]",PBE,7.30038909274616,0.108126856330785,36.0,1.0,14.454138858086893,-14.454138858086893,dB,bcc,6.2451807161,0.0204030415,"[22.0475036688, 22.2795826548, 22.5116616408, 22.7437406268, 22.9758196128, 23.2078985988, 23.4399775848, 23.6720565708, 23.9041355567, 24.1362145427, 24.3682935287]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781868600000001, -0.68194888, -0.68496294, -0.68727465, -0.68893711, -0.6899955999999999, -0.69049708, -0.69047108, -0.68994039, -0.6889516800000001, -0.68754445]",PBE,7.30038909274616,0.108126856330785,46.0,1.0,18.966562023686713,-18.966562023686713,dB,bcc,5.9157562675,0.0545256129,"[22.046232815, 22.2782984235, 22.5103640321, 22.7424296407, 22.9744952493, 23.2065608579, 23.4386264664, 23.670692075, 23.9027576836, 24.1348232922, 24.3668889007]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67804428, -0.68183726, -0.68487614, -0.6872151400000001, -0.68890133, -0.68997797, -0.69049028, -0.69047485, -0.68996631, -0.68899927, -0.68760911]",PBE,7.30038909274616,0.108126856330785,54.0,1.0,16.71397866667908,-16.71397866667908,dB,bcc,6.0802036172000005,0.0198684946,"[22.0395241424, 22.2715191334, 22.5035141243, 22.7355091153, 22.9675041063, 23.1994990972, 23.4314940882, 23.6634890792, 23.8954840702, 24.1274790611, 24.3594740521]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67836057, -0.68180987, -0.68451008, -0.68651527, -0.6879006, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,7.30038909274616,0.108126856330785,18.0,1.0,10.959640340829974,-10.959640340829974,dB,bcc,6.5002927047000005,0.2384675304,"[22.1518020737, 22.3849789376, 22.6181558015, 22.8513326655, 23.084509529400002, 23.3176863933, 23.5508632573, 23.7840401212, 24.0172169851, 24.2503938491, 24.483570713]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67796493, -0.6816569100000001, -0.68462164, -0.68689876, -0.68853695, -0.68957938, -0.69007427, -0.69003479, -0.68949867, -0.68851903, -0.68713903]",PBE,7.30038909274616,0.108126856330785,24.0,1.0,20.02028861719712,-20.02028861719712,dB,bcc,5.8388301262,0.1129109831,"[22.0685413596, 22.3008417949, 22.5331422303, 22.7654426657, 22.997743101, 23.2300435364, 23.4623439718, 23.6946444071, 23.9269448425, 24.1592452779, 24.3915457132]" +42,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6788803, -0.68231666, -0.68506343, -0.68715033, -0.68863368, -0.6895439800000001, -0.68988361, -0.68969427, -0.68902165, -0.6879427, -0.68647183]",PBE,7.30038909274616,0.108126856330785,20.0,1.0,24.711389950964165,-24.711389950964165,dB,bcc,5.4963614761000015,0.3158318465,"[22.1172928563, 22.3501064653, 22.5829200743, 22.8157336833, 23.0485472924, 23.2813609014, 23.5141745104, 23.7469881194, 23.9798017284, 24.2126153374, 24.4454289464]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67867938, -0.68233707, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.68985789, -0.68885979, -0.68744647]",PBE,7.30038909274616,0.108126856330785,28.0,1.0,16.83329530705726,-16.83329530705726,dB,bcc,6.071493038200001,0.07821605300000001,"[22.0726319133, 22.3049754072, 22.537318901, 22.7696623948, 23.0020058886, 23.2343493825, 23.4666928763, 23.6990363701, 23.9313798639, 24.1637233578, 24.3960668516]" +44,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67867933, -0.68233701, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.6898579300000001, -0.68885982, -0.68744647]",PBE,7.30038909274616,0.108126856330785,28.0,1.0,16.83306813286437,-16.83306813286437,dB,bcc,6.0715096228,0.0780646327,"[22.0726338233, 22.3049773372, 22.5373208512, 22.7696643651, 23.002007879, 23.2343513929, 23.4666949069, 23.6990384208, 23.9313819347, 24.1637254487, 24.3960689626]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.64962646, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,7.30038909274616,0.108126856330785,6.0,1.0,16.870935644753928,16.870935644753928,dB,bcc,8.5320330384,0.1685494291,"[22.5966369513, 22.8344962876, 23.072355624, 23.3102149603, 23.5480742966, 23.785933633, 24.0237929693, 24.2616523056, 24.499511642, 24.7373709783, 24.9752303146]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67748253, -0.6813568, -0.68447483, -0.68688713, -0.68862731, -0.68973985, -0.69030812, -0.69040492, -0.69002675, -0.68921562, -0.68798095]",PBE,7.30038909274616,0.108126856330785,22.0,1.0,3.8083655189021695,3.8083655189021695,dB,bcc,7.5784145937,0.20496393640000002,"[21.9993464121, 22.2309184796, 22.4624905471, 22.6940626146, 22.9256346821, 23.1572067496, 23.388778817, 23.6203508845, 23.851922952, 24.0834950195, 24.315067087]" +47,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304806, -0.69480957, -0.69516025, -0.6958458, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,7.30038909274616,0.108126856330785,10.0,1.0,16.24131820086081,16.24131820086081,dB,bcc,8.4860685152,3.1714994481,"[22.0934305547, 22.3259929816, 22.5585554085, 22.7911178353, 23.0236802622, 23.2562426891, 23.488805116, 23.7213675429, 23.9539299698, 24.1864923967, 24.4190548236]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67812052, -0.68187016, -0.68486919, -0.68717045, -0.6888321900000001, -0.68988906, -0.69038446, -0.6903599300000001, -0.68985236, -0.68890249, -0.68752195]",PBE,7.30038909274616,0.108126856330785,38.0,1.0,14.481112149167435,-14.481112149167435,dB,bcc,6.243211560900002,0.035778656900000004,"[22.048455068, 22.2805440687, 22.5126330694, 22.7447220701, 22.9768110708, 23.2089000715, 23.4409890723, 23.673078073, 23.9051670737, 24.1372560744, 24.3693450751]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67811147, -0.68189418, -0.6849201500000001, -0.68724875, -0.68892651, -0.68999927, -0.6905034999999999, -0.69047334, -0.68995152, -0.68897396, -0.6875736]",PBE,7.30038909274616,0.108126856330785,52.0,1.0,17.715221115148424,-17.715221115148424,dB,bcc,6.0071090227,0.0485450778,"[22.0420962552, 22.2741183211, 22.5061403869, 22.7381624528, 22.9701845186, 23.2022065845, 23.4342286503, 23.6662507161, 23.898272782, 24.1302948478, 24.3623169137]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67836061, -0.6818099200000001, -0.68451012, -0.68651531, -0.68790078, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,7.30038909274616,0.108126856330785,18.0,1.0,10.950753722709248,-10.950753722709248,dB,bcc,6.5009414624,0.2381159399,"[22.1518038779, 22.3849807608, 22.6181576438, 22.8513345267, 23.0845114096, 23.3176882926, 23.5508651755, 23.7840420584, 24.0172189413, 24.2503958243, 24.4835727072]" +51,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67814584, -0.68190545, -0.68492027, -0.68723736, -0.68890747, -0.68996815, -0.69046201, -0.69043711, -0.68993158, -0.688963, -0.68756901]",PBE,7.30038909274616,0.108126856330785,44.0,1.0,16.194113540069466,-16.194113540069466,dB,bcc,6.1181557942,0.045666840300000004,"[22.0467018767, 22.2787724228, 22.5108429688, 22.7429135149, 22.974984061, 23.207054607, 23.4391251531, 23.6711956992, 23.9032662453, 24.1353367913, 24.3674073374]" +52,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67873776, -0.68255717, -0.68561965, -0.6879483200000001, -0.68960117, -0.6906633999999999, -0.6911968900000001, -0.69122187, -0.69073522, -0.68977885, -0.68845426]",PBE,7.30038909274616,0.108126856330785,16.0,1.0,6.160459693758382,-6.160459693758382,dB,bcc,6.8506515652,0.2450903315,"[22.0130428411, 22.2447590816, 22.476475322, 22.7081915624, 22.9399078029, 23.1716240433, 23.4033402837, 23.6350565242, 23.8667727646, 24.098489005, 24.3302052455]" +53,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67812244, -0.68187176, -0.68487088, -0.68717185, -0.6888328300000001, -0.68988941, -0.69038457, -0.69035976, -0.68985195, -0.68890221, -0.68752125]",PBE,7.30038909274616,0.108126856330785,38.0,1.0,14.410707718188458,-14.410707718188458,dB,bcc,6.248351358300001,0.0354812962,"[22.0485791117, 22.2806694182, 22.5127597246, 22.7448500311, 22.9769403375, 23.2090306439, 23.4411209504, 23.6732112568, 23.9053015633, 24.1373918697, 24.3694821761]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.67391199, -0.67661923, -0.67859325, -0.67989384, -0.68053033, -0.68089379, -0.68103494, -0.6811381]",PBE,7.30038909274616,0.108126856330785,8.0,1.0,107.87425226388092,107.87425226388092,dB,bcc,15.175629238900001,2.0906748855,"[21.3329251871, 21.5574822944, 21.7820394016, 22.0065965088, 22.2311536161, 22.4557107233, 22.6802678305, 22.9048249378, 23.129382045, 23.3539391522, 23.5784962595]" +55,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,7.30038909274616,0.108126856330785,4.0,1.0,60.96489458316867,60.96489458316867,dB,bcc,11.7510636073,8.913970428899997,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,7.30038909274616,0.108126856330785,6.0,1.0,27.874160655022994,27.874160655022994,dB,bcc,9.3353112769,0.000272618,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.044711787, -1.0572911, 0.044711787, -1.0572911, -0.23548788, -1.2842178, -0.23548788, -1.2842178]",PBE,7.30038909274616,0.108126856330785,14.0,1.0,275.09737618918535,-275.09737618918535,dB,bcc,-12.782789753,0.0,"[23.3638958425, 20.2100533626, 23.3638953706, 20.2100575466, 22.7926388283, 20.0308107685, 22.7924462078, 20.0308457806]" +58,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67803701, -0.68182738, -0.68486249, -0.68719473, -0.68888267, -0.68996074, -0.69046923, -0.69045356, -0.68994812, -0.6889854400000001, -0.68759706]",PBE,7.30038909274616,0.108126856330785,48.0,1.0,16.46636945749377,-16.46636945749377,dB,bcc,6.0982800529,0.0277566234,"[22.0409748057, 22.2729850668, 22.5049953279, 22.737005589, 22.9690158501, 23.2010261113, 23.4330363724, 23.6650466335, 23.8970568946, 24.1290671557, 24.3610774168]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,7.30038909274616,0.108126856330785,4.0,1.0,60.96489458316867,60.96489458316867,dB,bcc,11.7510636073,8.913970428899997,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,7.30038909274616,0.108126856330785,6.0,1.0,27.874160655022994,27.874160655022994,dB,bcc,9.3353112769,0.000272618,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +61,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.044711787, -1.0572911, 0.044711787, -1.0572911, -0.23548788, -1.2842178, -0.23548788, -1.2842178]",PBE,7.30038909274616,0.108126856330785,14.0,1.0,275.09737618918535,-275.09737618918535,dB,bcc,-12.782789753,0.0,"[23.3638958425, 20.2100533626, 23.3638953706, 20.2100575466, 22.7926388283, 20.0308107685, 22.7924462078, 20.0308457806]" +62,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67851297, -0.6821673500000001, -0.68507617, -0.68730798, -0.68889229, -0.68987675, -0.69031941, -0.69023551, -0.68966285, -0.68864614, -0.68722572]",PBE,7.30038909274616,0.108126856330785,32.0,1.0,16.250710033044133,-16.250710033044133,dB,bcc,6.11402403,0.0709381263,"[22.074733418, 22.307099033, 22.5394646479, 22.7718302628, 23.0041958777, 23.2365614927, 23.4689271076, 23.7012927225, 23.9336583374, 24.1660239524, 24.3983895673]" +63,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67805026, -0.68184572, -0.68488858, -0.68722744, -0.68891293, -0.68999374, -0.69050681, -0.6904892300000001, -0.6899787, -0.68900987, -0.68761688]",PBE,7.30038909274616,0.108126856330785,62.0,1.0,17.027492805572617,-17.027492805572617,dB,bcc,6.0573158652,0.023888097200000003,"[22.0391267465, 22.2711175543, 22.5031083622, 22.7350991701, 22.9670899779, 23.1990807858, 23.4310715936, 23.6630624015, 23.8950532093, 24.1270440172, 24.3590348251]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6777171200000001, -0.68151255, -0.68455291, -0.68691291, -0.68861963, -0.6897042800000001, -0.69023106, -0.69024818, -0.68978881, -0.68887431, -0.68753548]",PBE,23.5366622812037,0.00024419830898985095,30.0,2.0,0.06177884707090897,0.06177884707090897,v0,bcc,23.5512029598,0.0006235575,"[22.0365926446, 22.2685567777, 22.5005209108, 22.7324850439, 22.964449177, 23.1964133101, 23.4283774432, 23.6603415763, 23.8923057094, 24.1242698425, 24.3562339756]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818922, -0.6818564500000001, -0.68479606, -0.68703744, -0.68863839, -0.6896382600000001, -0.69009555, -0.6900394999999999, -0.68952032, -0.68855237, -0.6871661]",PBE,23.5366622812037,0.00024419830898985095,26.0,2.0,0.04131025750435915,0.04131025750435915,v0,bcc,23.546385336999997,0.0004252396,"[22.0627488893, 22.2949883513, 22.5272278133, 22.7594672752, 22.9917067372, 23.2239461992, 23.4561856612, 23.6884251232, 23.9206645852, 24.1529040472, 24.3851435092]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67828856, -0.68202397, -0.6850090400000001, -0.6872981300000001, -0.68894756, -0.68999173, -0.6904851200000001, -0.69045557, -0.6899472600000001, -0.68898626, -0.68759057]",PBE,23.5366622812037,0.00024419830898985095,34.0,2.0,0.03838617680092118,0.03838617680092118,v0,bcc,23.545697106,0.0002936559,"[22.0508270835, 22.2829410528, 22.515055022, 22.7471689913, 22.9792829606, 23.2113969299, 23.4435108992, 23.6756248685, 23.9077388378, 24.1398528071, 24.3719667764]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67808618, -0.6818668, -0.6848917, -0.68722236, -0.68890531, -0.6899799600000001, -0.6904921900000001, -0.69048208, -0.68998085, -0.68901139, -0.68760973]",PBE,23.5366622812037,0.00024419830898985095,40.0,2.0,0.020395757643733012,0.020395757643733012,v0,bcc,23.5414627618,0.000257588,"[22.0403241988, 22.2723276114, 22.504331024, 22.7363344366, 22.9683378493, 23.2003412619, 23.4323446745, 23.6643480871, 23.8963514997, 24.1283549124, 24.360358325]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781328600000001, -0.68190404, -0.68492442, -0.68724719, -0.68891596, -0.68997483, -0.69047897, -0.6904606, -0.68994534, -0.68897284, -0.68757776]",PBE,23.5366622812037,0.00024419830898985095,50.0,2.0,0.02145445830835561,0.02145445830835561,v0,bcc,23.5417119446,0.0002161155,"[22.0448368489, 22.2768877631, 22.5089386773, 22.7409895915, 22.9730405057, 23.2050914199, 23.4371423341, 23.6691932483, 23.9012441625, 24.1332950767, 24.3653459909]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.6496264700000001, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,23.5366622812037,0.00024419830898985095,6.0,2.0,0.8672026205657093,0.8672026205657093,v0,bcc,23.7407728333,0.0012856601,"[22.5966360102, 22.8344953367, 23.0723546631, 23.3102139895, 23.548073315899998, 23.7859326424, 24.0237919688, 24.2616512952, 24.4995106216, 24.7373699481, 24.9752292745]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804865, -0.68184617, -0.6848907200000001, -0.68723163, -0.68891871, -0.68999698, -0.69050685, -0.69048636, -0.68997324, -0.6890012999999999, -0.68760652]",PBE,23.5366622812037,0.00024419830898985095,66.0,2.0,0.00472531186882809,0.00472531186882809,v0,bcc,23.5377744619,0.00018740020000000002,"[22.0388949574, 22.2708833253, 22.5028716933, 22.7348600613, 22.9668484293, 23.1988367972, 23.4308251652, 23.6628135332, 23.8948019011, 24.1267902691, 24.3587786371]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67946522, -0.68251171, -0.68481689, -0.68642337, -0.68744063, -0.68811568, -0.68825786, -0.68781, -0.68704234, -0.68585685, -0.68430886]",PBE,23.5366622812037,0.00024419830898985095,14.0,2.0,0.06683163490119595,-0.06683163490119595,v0,bcc,23.520932345,0.0058767219,"[22.1957010504, 22.4293400088, 22.6629789673, 22.8966179257, 23.1302568841, 23.3638958425, 23.597534801, 23.8311737594, 24.0648127178, 24.2984516762, 24.5320906347]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.69940484, -0.70829118, -0.7160392, -0.72277904, -0.72863252, -0.73349698, -0.73752313, -0.74079531, -0.74326199, -0.7451253600000001, -0.7462504600000001]",PBE,23.5366622812037,0.00024419830898985095,4.0,2.0,2.574116336739633,-2.574116336739633,v0,bcc,22.9308012123,0.0107143154,"[20.4728431559, 20.6883467681, 20.9038503802, 21.1193539924, 21.3348576046, 21.5503612167, 21.7658648289, 21.9813684411, 22.1968720532, 22.4123756654, 22.6278792776]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67814392, -0.68190384, -0.684919, -0.68723641, -0.68890683, -0.6899678, -0.6904619, -0.69043728, -0.68993199, -0.68896365, -0.68756986]",PBE,23.5366622812037,0.00024419830898985095,44.0,2.0,0.029421807194107225,0.029421807194107225,v0,bcc,23.543587192600004,0.00028177890000000003,"[22.046584474, 22.2786537843, 22.5107230945, 22.7427924048, 22.974861715, 23.2069310253, 23.4390003355, 23.6710696458, 23.903138956, 24.1352082663, 24.3672775765]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67748315, -0.68135731, -0.68447527, -0.68688746, -0.68862753, -0.68974007, -0.69030818, -0.6904048500000001, -0.69002665, -0.68921526, -0.68798071]",PBE,23.5366622812037,0.00024419830898985095,22.0,2.0,0.017302008872992068,0.017302008872992068,v0,bcc,23.5407345966,0.0012423188000000001,"[21.9993974633, 22.2309700681, 22.462542673, 22.6941152779, 22.9256878828, 23.1572604876, 23.3888330925, 23.6204056974, 23.8519783023, 24.0835509071, 24.315123512]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6751113, -0.6784449300000001, -0.68108616, -0.68306963, -0.68450952, -0.6851172600000001, -0.68545941, -0.68525877, -0.68456475, -0.68355937, -0.68221889]",PBE,23.5366622812037,0.00024419830898985095,12.0,2.0,0.32448998963329523,0.32448998963329523,v0,bcc,23.6130363942,0.0051639746,"[22.2014623842, 22.4351619882, 22.6688615923, 22.9025611963, 23.1362608003, 23.3699604044, 23.6036600084, 23.8373596125, 24.0710592165, 24.3047588206, 24.5384584246]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.6739115, -0.6766192400000001, -0.67859326, -0.67989369, -0.68057565, -0.68089379, -0.68103493, -0.6811381]",PBE,23.5366622812037,0.00024419830898985095,8.0,2.0,1.0074065424860745,-1.0074065424860745,v0,bcc,23.299552405500002,0.043447118300000004,"[21.332919655, 21.557476704, 21.782033753, 22.006590802, 22.231147851, 22.4557049, 22.680261949, 22.904818998, 23.129376047, 23.353933096, 23.578490145]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304805, -0.69480957, -0.69516035, -0.69584596, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,23.5366622812037,0.00024419830898985095,10.0,2.0,0.8123560673952976,-0.8123560673952976,v0,bcc,23.3454607771,0.0230768776,"[22.0934311736, 22.325993607, 22.5585560404, 22.7911184738, 23.0236809072, 23.2562433406, 23.488805774, 23.7213682074, 23.9539306409, 24.1864930743, 24.4190555077]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67799849, -0.68180697, -0.6848603999999999, -0.6872098600000001, -0.68890632, -0.68999431, -0.69051184, -0.6905005200000001, -0.6899947200000001, -0.68903044, -0.68764196]",PBE,23.5366622812037,0.00024419830898985095,68.0,2.0,0.005843319583188192,0.005843319583188192,v0,bcc,23.538037603600007,0.0001682607,"[22.0356499782, 22.267604188500002, 22.4995583988, 22.7315126091, 22.9634668194, 23.1954210297, 23.42737524, 23.6593294503, 23.8912836606, 24.1232378709, 24.3551920812]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67819045, -0.6818576, -0.68479688, -0.6870380500000001, -0.6886388, -0.68963848, -0.69009559, -0.69003938, -0.68951991, -0.68855174, -0.68716526]",PBE,23.5366622812037,0.00024419830898985095,26.0,2.0,0.041296465404358725,0.041296465404358725,v0,bcc,23.546382090799998,0.00042163730000000004,"[22.0628367456, 22.2950771324, 22.5273175192, 22.759557906, 22.9917982928, 23.2240386796, 23.4562790664, 23.6885194532, 23.92075984, 24.1530002268, 24.3852406136]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67946526, -0.68251175, -0.68481693, -0.6864234100000001, -0.68744063, -0.68811562, -0.68825786, -0.68780991, -0.68704234, -0.68585674, -0.68430874]",PBE,23.5366622812037,0.00024419830898985095,14.0,2.0,0.06687288586483152,-0.06687288586483152,v0,bcc,23.5209226359,0.0058777471000000005,"[22.1957006021, 22.4293395558, 22.6629785095, 22.8966174632, 23.1302564169, 23.3638953706, 23.5975343243, 23.831173278, 24.0648122317, 24.2984511854, 24.5320901391]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67813394, -0.68189387, -0.6849028500000001, -0.68721077, -0.6888691, -0.68992573, -0.69042568, -0.69039796, -0.68987978, -0.68890775, -0.68751092]",PBE,23.5366622812037,0.00024419830898985095,42.0,2.0,0.0315827053449233,0.0315827053449233,v0,bcc,23.544095795900002,0.00015803370000000002,"[22.0490314197, 22.2811264873, 22.5132215549, 22.7453166224, 22.97741169, 23.2095067576, 23.4416018252, 23.6736968927, 23.9057919603, 24.1378870279, 24.3699820955]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813135, -0.68189226, -0.6849015900000001, -0.68720983, -0.68886846, -0.68992538, -0.6904256, -0.69039813, -0.68988019, -0.6889084, -0.68751207]",PBE,23.5366622812037,0.00024419830898985095,42.0,2.0,0.03149586720381654,0.03149586720381654,v0,bcc,23.5440753571,0.0001611503,"[22.0489136444, 22.2810074722, 22.5131013, 22.7451951279, 22.9772889557, 23.2093827835, 23.4414766114, 23.6735704392, 23.905664267, 24.1377580949, 24.3698519227]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67807341, -0.6818647999999999, -0.68490222, -0.68723909, -0.68892063, -0.68999314, -0.69049887, -0.69047688, -0.68996279, -0.68899042, -0.6875943800000001]",PBE,23.5366622812037,0.00024419830898985095,60.0,2.0,0.007640591409321456,0.007640591409321456,v0,bcc,23.5384606214,0.0001490063,"[22.0407010043, 22.2727083833, 22.504715762300002, 22.7367231413, 22.9687305203, 23.2007378993, 23.4327452783, 23.6647526572, 23.8967600362, 24.1287674152, 24.3607747942]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804561, -0.68183835, -0.68487699, -0.68721578, -0.68890176, -0.68997821, -0.69049058, -0.69047473, -0.6899660400000001, -0.68899885, -0.68760854]",PBE,23.5366622812037,0.00024419830898985095,54.0,2.0,0.013625037645481267,0.013625037645481267,v0,bcc,23.539869160300004,0.000123236,"[22.0396052285, 22.271601073, 22.5035969176, 22.7355927621, 22.9675886066, 23.1995844511, 23.4315802956, 23.663576140099998, 23.8955719846, 24.1275678291, 24.3595636736]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67511072, -0.67844443, -0.68108577, -0.68306966, -0.6845093, -0.68511714, -0.6854593800000001, -0.68525881, -0.684565, -0.68355958, -0.68221917]",PBE,23.5366622812037,0.00024419830898985095,12.0,2.0,0.3244872160879366,0.3244872160879366,v0,bcc,23.613035741399997,0.0051620427,"[22.2014309405, 22.4351302136, 22.6688294866, 22.9025287597, 23.1362280327, 23.3699273058, 23.6036265788, 23.8373258519, 24.071025125, 24.304724398, 24.5384236711]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67796499, -0.68165643, -0.68462164, -0.68689845, -0.68853695, -0.68957927, -0.6900742400000001, -0.69003485, -0.68949881, -0.68851924, -0.6871393100000001]",PBE,23.5366622812037,0.00024419830898985095,24.0,2.0,0.10593520439902539,0.10593520439902539,v0,bcc,23.5615958925,0.0006991126,"[22.0685139647, 22.3008141117, 22.5331142587, 22.7654144056, 22.9977145526, 23.2300146996, 23.4623148466, 23.6946149936, 23.9269151406, 24.1592152876, 24.3915154346]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67771651, -0.68151206, -0.68455291, -0.68691259, -0.68861963, -0.68970416, -0.69023102, -0.69024823, -0.68978894, -0.6888742999999999, -0.68753576]",PBE,23.5366622812037,0.00024419830898985095,30.0,2.0,0.06168988203520344,0.06168988203520344,v0,bcc,23.5511820204,0.0006203091,"[22.0365604189, 22.2685242128, 22.5004880067, 22.7324518006, 22.9644155945, 23.1963793884, 23.4283431822, 23.6603069761, 23.89227077, 24.1242345639, 24.3561983578]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6787384200000001, -0.68255776, -0.6856196800000001, -0.68794867, -0.68960139, -0.69066352, -0.6911968900000001, -0.69122182, -0.69073511, -0.68977884, -0.68845394]",PBE,23.5366622812037,0.00024419830898985095,16.0,2.0,0.08359288699744796,-0.08359288699744796,v0,bcc,23.516987305700003,0.0014965096,"[22.0130642073, 22.2447806726, 22.4764971379, 22.7082136033, 22.9399300686, 23.171646534, 23.4033629993, 23.6350794646, 23.86679593, 24.0985123953, 24.3302288607]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67803828, -0.68182847, -0.68486335, -0.68719537, -0.6888831, -0.6899609800000001, -0.69046926, -0.69045345, -0.68994798, -0.68898501, -0.68759649]",PBE,23.5366622812037,0.00024419830898985095,48.0,2.0,0.02152201674043563,0.02152201674043563,v0,bcc,23.5417278456,0.00016909669999999998,"[22.0410348813, 22.2730457747, 22.5050566682, 22.7370675617, 22.9690784552, 23.2010893487, 23.4331002422, 23.6651111357, 23.8971220292, 24.1291329226, 24.3611438161]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6788797, -0.68231611, -0.68506302, -0.6871500500000001, -0.68863348, -0.68954389, -0.68988361, -0.6896943600000001, -0.68902178, -0.6879429300000001, -0.6864718200000001]",PBE,23.5366622812037,0.00024419830898985095,20.0,2.0,0.06821529027554533,0.06821529027554533,v0,bcc,23.552717883699998,0.0020445226,"[22.1172639111, 22.3500772155, 22.5828905198, 22.8157038241, 23.0485171284, 23.2813304328, 23.5141437371, 23.7469570414, 23.9797703458, 24.2125836501, 24.4453969544]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67811015, -0.6818930999999999, -0.6849193100000001, -0.6872478, -0.68892608, -0.68999904, -0.69050345, -0.69047346, -0.68995193, -0.68897428, -0.68757418]",PBE,23.5366622812037,0.00024419830898985095,52.0,2.0,0.006357265437305636,0.006357265437305636,v0,bcc,23.5381585693,0.0003006131,"[22.0420151348, 22.2740363468, 22.5060575587, 22.7380787706, 22.9700999826, 23.2021211945, 23.4341424065, 23.6661636184, 23.8981848304, 24.1302060423, 24.3622272543]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67813017, -0.68190188, -0.68492272, -0.68724593, -0.68891511, -0.68997436, -0.69047885, -0.69046083, -0.6899457, -0.68897338, -0.68757882]",PBE,23.5366622812037,0.00024419830898985095,50.0,2.0,0.02141633862982657,0.02141633862982657,v0,bcc,23.5417029725,0.0002171253,"[22.0446987969, 22.2767482579, 22.5087977189, 22.7408471799, 22.9728966409, 23.204946102, 23.436995563, 23.669045024, 23.901094485, 24.133143946, 24.365193407]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6780378, -0.68181093, -0.68483187, -0.68714765, -0.68881503, -0.68987561, -0.69037869, -0.69035539, -0.68984239, -0.6888822800000001, -0.68749373]",PBE,23.5366622812037,0.00024419830898985095,36.0,2.0,0.03364693091011075,0.03364693091011075,v0,bcc,23.544581645700003,0.0001214999,"[22.0472929937, 22.2793697621, 22.5114465305, 22.7435232988, 22.9756000672, 23.2076768355, 23.4397536039, 23.6718303722, 23.9039071406, 24.1359839089, 24.3680606773]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67804428, -0.68183726, -0.68487614, -0.6872151400000001, -0.68890133, -0.68997797, -0.69049028, -0.69047485, -0.68996631, -0.68899927, -0.68760911]",PBE,23.5366622812037,0.00024419830898985095,54.0,2.0,0.013585352749245435,0.013585352749245435,v0,bcc,23.5398598198,0.0001218923,"[22.0395241424, 22.2715191334, 22.5035141243, 22.7355091153, 22.9675041063, 23.1994990972, 23.4314940882, 23.6634890792, 23.8954840702, 24.1274790611, 24.3594740521]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67809332, -0.68187673, -0.68490927, -0.6872398200000001, -0.68891672, -0.68998739, -0.6904956999999999, -0.6904748900000001, -0.68996179, -0.68899078, -0.68759421]",PBE,23.5366622812037,0.00024419830898985095,56.0,2.0,0.014542606574401045,0.014542606574401045,v0,bcc,23.5400851254,8.77832e-05,"[22.0419707573, 22.2739915021, 22.5060122469, 22.7380329917, 22.9700537365, 23.2020744814, 23.4340952262, 23.666115971, 23.8981367158, 24.1301574606, 24.3621782054]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808706, -0.68187727, -0.68491371, -0.6872482999999999, -0.68893288, -0.69000721, -0.69051379, -0.69048622, -0.6899685, -0.68899318, -0.68759487]",PBE,23.5366622812037,0.00024419830898985095,58.0,2.0,0.00238225025113596,0.00238225025113596,v0,bcc,23.537222983400003,0.000273823,"[22.0401036978, 22.2721047893, 22.5041058809, 22.736106972400002, 22.968108064, 23.2001091555, 23.4321102471, 23.6641113386, 23.8961124302, 24.1281135218, 24.3601146133]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67818481, -0.68194727, -0.68496167, -0.68727371, -0.68893647, -0.6899952500000001, -0.69049699, -0.69047126, -0.68994082, -0.68895233, -0.68754531]",PBE,23.5366622812037,0.00024419830898985095,46.0,2.0,0.012960796054478765,0.012960796054478765,v0,bcc,23.53971282,0.0003361222,"[22.0461147559, 22.2781791217, 22.5102434876, 22.7423078534, 22.9743722193, 23.2064365851, 23.438500951, 23.6705653168, 23.9026296827, 24.1346940485, 24.3667584144]" +34,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67828982, -0.68202499, -0.68500988, -0.68729876, -0.68894798, -0.68999196, -0.69048518, -0.69045545, -0.68994731, -0.68898583, -0.68758999]",PBE,23.5366622812037,0.00024419830898985095,34.0,2.0,0.038364938870326,0.038364938870326,v0,bcc,23.5456921073,0.00029659500000000003,"[22.0508885569, 22.2830031733, 22.5151177896, 22.747232406, 22.9793470224, 23.2114616388, 23.4435762552, 23.6756908716, 23.907805488, 24.1399201044, 24.3720347208]" +35,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67809398, -0.68187727, -0.6849097, -0.68724014, -0.68891693, -0.68998763, -0.69049573, -0.69047484, -0.68996165, -0.68899057, -0.68759393]",PBE,23.5366622812037,0.00024419830898985095,56.0,2.0,0.014582797489682588,0.014582797489682588,v0,bcc,23.540094585,8.662080000000001e-05,"[22.0420175711, 22.2740388087, 22.5060600463, 22.7380812839, 22.9701025215, 23.2021237591, 23.4341449967, 23.6661662343, 23.898187471900002, 24.1302087094, 24.362229947]" +36,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6785143100000001, -0.6821684, -0.68507699, -0.6873085800000001, -0.68889269, -0.68987696, -0.69031994, -0.69023531, -0.68966255, -0.68864569, -0.6872253500000001]",PBE,23.5366622812037,0.00024419830898985095,32.0,2.0,0.040697952334339954,0.040697952334339954,v0,bcc,23.5462412208,0.0004543266000000001,"[22.0748172621, 22.3071837596, 22.5395502571, 22.7719167546, 23.0042832521, 23.2366497496, 23.4690162471, 23.7013827446, 23.9337492421, 24.1661157396, 24.3984822371]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67808679, -0.68186729, -0.68489212, -0.68722268, -0.68890553, -0.6899800700000001, -0.69049222, -0.69048203, -0.68998072, -0.68901117, -0.68760944]",PBE,23.5366622812037,0.00024419830898985095,40.0,2.0,0.020385606671744577,0.020385606671744577,v0,bcc,23.541460372600003,0.00025763960000000003,"[22.0403590587, 22.2723628383, 22.5043666178, 22.7363703974, 22.968374177, 23.2003779565, 23.4323817361, 23.6643855157, 23.8963892952, 24.1283930748, 24.3603968544]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67804186, -0.6818136300000001, -0.68483441, -0.6871495400000001, -0.68881632, -0.68987631, -0.69037883, -0.69035505, -0.68984157, -0.68888101, -0.68749231]",PBE,23.5366622812037,0.00024419830898985095,36.0,2.0,0.03367815581324692,0.03367815581324692,v0,bcc,23.544588995,0.0001255852,"[22.0475036688, 22.2795826548, 22.5116616408, 22.7437406268, 22.9758196128, 23.2078985988, 23.4399775848, 23.6720565708, 23.9041355567, 24.1362145427, 24.3682935287]" +39,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.6781868600000001, -0.68194888, -0.68496294, -0.68727465, -0.68893711, -0.6899955999999999, -0.69049708, -0.69047108, -0.68994039, -0.6889516800000001, -0.68754445]",PBE,23.5366622812037,0.00024419830898985095,46.0,2.0,0.01300830024122198,0.01300830024122198,v0,bcc,23.5397240009,0.0003359831,"[22.046232815, 22.2782984235, 22.5103640321, 22.7424296407, 22.9744952493, 23.2065608579, 23.4386264664, 23.670692075, 23.9027576836, 24.1348232922, 24.3668889007]" +40,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6788803, -0.68231666, -0.68506343, -0.68715033, -0.68863368, -0.6895439800000001, -0.68988361, -0.68969427, -0.68902165, -0.6879427, -0.68647183]",PBE,23.5366622812037,0.00024419830898985095,20.0,2.0,0.0681863915306144,0.0681863915306144,v0,bcc,23.5527110819,0.0020476672,"[22.1172928563, 22.3501064653, 22.5829200743, 22.8157336833, 23.0485472924, 23.2813609014, 23.5141745104, 23.7469881194, 23.9798017284, 24.2126153374, 24.4454289464]" +41,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67836057, -0.68180987, -0.68451008, -0.68651527, -0.6879006, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,23.5366622812037,0.00024419830898985095,18.0,2.0,0.14110979713052052,0.14110979713052052,v0,bcc,23.569874817600002,0.0015726769000000002,"[22.1518020737, 22.3849789376, 22.6181558015, 22.8513326655, 23.084509529400002, 23.3176863933, 23.5508632573, 23.7840401212, 24.0172169851, 24.2503938491, 24.483570713]" +42,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67796493, -0.6816569100000001, -0.68462164, -0.68689876, -0.68853695, -0.68957938, -0.69007427, -0.69003479, -0.68949867, -0.68851903, -0.68713903]",PBE,23.5366622812037,0.00024419830898985095,24.0,2.0,0.10589588786428791,0.10589588786428791,v0,bcc,23.5615866387,0.0006972461,"[22.0685413596, 22.3008417949, 22.5331422303, 22.7654426657, 22.997743101, 23.2300435364, 23.4623439718, 23.6946444071, 23.9269448425, 24.1592452779, 24.3915457132]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67867938, -0.68233707, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.68985789, -0.68885979, -0.68744647]",PBE,23.5366622812037,0.00024419830898985095,28.0,2.0,0.052998132221422,0.052998132221422,v0,bcc,23.549136272600002,0.0004890869999999999,"[22.0726319133, 22.3049754072, 22.537318901, 22.7696623948, 23.0020058886, 23.2343493825, 23.4666928763, 23.6990363701, 23.9313798639, 24.1637233578, 24.3960668516]" +44,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67867933, -0.68233701, -0.6852353, -0.68745269, -0.68903625, -0.69003753, -0.6904849200000001, -0.6904137300000001, -0.6898579300000001, -0.68885982, -0.68744647]",PBE,23.5366622812037,0.00024419830898985095,28.0,2.0,0.05301295590353833,0.05301295590353833,v0,bcc,23.5491397616,0.0004881371,"[22.0726338233, 22.3049773372, 22.5373208512, 22.7696643651, 23.002007879, 23.2343513929, 23.4666949069, 23.6990384208, 23.9313819347, 24.1637254487, 24.3960689626]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.64394504, -0.64621952, -0.64789975, -0.64902359, -0.64962646, -0.64975246, -0.64946024, -0.6488053300000001, -0.64777498, -0.6464563, -0.64482867]",PBE,23.5366622812037,0.00024419830898985095,6.0,2.0,0.8672077899477776,0.8672077899477776,v0,bcc,23.74077405,0.0012854403,"[22.5966369513, 22.8344962876, 23.072355624, 23.3102149603, 23.5480742966, 23.785933633, 24.0237929693, 24.2616523056, 24.499511642, 24.7373709783, 24.9752303146]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67748253, -0.6813568, -0.68447483, -0.68688713, -0.68862731, -0.68973985, -0.69030812, -0.69040492, -0.69002675, -0.68921562, -0.68798095]",PBE,23.5366622812037,0.00024419830898985095,22.0,2.0,0.017269181363697348,0.017269181363697348,v0,bcc,23.540726870100002,0.0012448035,"[21.9993464121, 22.2309184796, 22.4624905471, 22.6940626146, 22.9256346821, 23.1572067496, 23.388778817, 23.6203508845, 23.851922952, 24.0834950195, 24.315067087]" +47,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.6874769, -0.69064176, -0.69304806, -0.69480957, -0.69516025, -0.6958458, -0.69596658, -0.6955441800000001, -0.69462189, -0.6932320200000001, -0.69138827]",PBE,23.5366622812037,0.00024419830898985095,10.0,2.0,0.8123480722090077,-0.8123480722090077,v0,bcc,23.345462658899997,0.0230820135,"[22.0934305547, 22.3259929816, 22.5585554085, 22.7911178353, 23.0236802622, 23.2562426891, 23.488805116, 23.7213675429, 23.9539299698, 24.1864923967, 24.4190548236]" +48,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67812052, -0.68187016, -0.68486919, -0.68717045, -0.6888321900000001, -0.68988906, -0.69038446, -0.6903599300000001, -0.68985236, -0.68890249, -0.68752195]",PBE,23.5366622812037,0.00024419830898985095,38.0,2.0,0.04042801558953744,0.04042801558953744,v0,bcc,23.546177686700002,0.0002201564,"[22.048455068, 22.2805440687, 22.5126330694, 22.7447220701, 22.9768110708, 23.2089000715, 23.4409890723, 23.673078073, 23.9051670737, 24.1372560744, 24.3693450751]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67811147, -0.68189418, -0.6849201500000001, -0.68724875, -0.68892651, -0.68999927, -0.6905034999999999, -0.69047334, -0.68995152, -0.68897396, -0.6875736]",PBE,23.5366622812037,0.00024419830898985095,52.0,2.0,0.006344494722562401,0.006344494722562401,v0,bcc,23.5381555635,0.00029862080000000004,"[22.0420962552, 22.2741183211, 22.5061403869, 22.7381624528, 22.9701845186, 23.2022065845, 23.4342286503, 23.6662507161, 23.898272782, 24.1302948478, 24.3623169137]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67836061, -0.6818099200000001, -0.68451012, -0.68651531, -0.68790078, -0.6887293, -0.68905696, -0.68885647, -0.68818692, -0.68708742, -0.68559992]",PBE,23.5366622812037,0.00024419830898985095,18.0,2.0,0.1410834709678351,0.1410834709678351,v0,bcc,23.5698686213,0.0015703482000000001,"[22.1518038779, 22.3849807608, 22.6181576438, 22.8513345267, 23.0845114096, 23.3176882926, 23.5508651755, 23.7840420584, 24.0172189413, 24.2503958243, 24.4835727072]" +51,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67814584, -0.68190545, -0.68492027, -0.68723736, -0.68890747, -0.68996815, -0.69046201, -0.69043711, -0.68993158, -0.688963, -0.68756901]",PBE,23.5366622812037,0.00024419830898985095,44.0,2.0,0.02944950483415371,0.02944950483415371,v0,bcc,23.5435937117,0.0002809827,"[22.0467018767, 22.2787724228, 22.5108429688, 22.7429135149, 22.974984061, 23.207054607, 23.4391251531, 23.6711956992, 23.9032662453, 24.1353367913, 24.3674073374]" +52,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67873776, -0.68255717, -0.68561965, -0.6879483200000001, -0.68960117, -0.6906633999999999, -0.6911968900000001, -0.69122187, -0.69073522, -0.68977885, -0.68845426]",PBE,23.5366622812037,0.00024419830898985095,16.0,2.0,0.08359324048853492,-0.08359324048853492,v0,bcc,23.5169872225,0.0015018394,"[22.0130428411, 22.2447590816, 22.476475322, 22.7081915624, 22.9399078029, 23.1716240433, 23.4033402837, 23.6350565242, 23.8667727646, 24.098489005, 24.3302052455]" +53,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67812244, -0.68187176, -0.68487088, -0.68717185, -0.6888328300000001, -0.68988941, -0.69038457, -0.69035976, -0.68985195, -0.68890221, -0.68752125]",PBE,23.5366622812037,0.00024419830898985095,38.0,2.0,0.040411905828698955,0.040411905828698955,v0,bcc,23.546173895,0.0002183478,"[22.0485791117, 22.2806694182, 22.5127597246, 22.7448500311, 22.9769403375, 23.2090306439, 23.4411209504, 23.6732112568, 23.9053015633, 24.1373918697, 24.3694821761]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.66091964, -0.66611961, -0.6704327800000001, -0.67391199, -0.67661923, -0.67859325, -0.67989384, -0.68053033, -0.68089379, -0.68103494, -0.6811381]",PBE,23.5366622812037,0.00024419830898985095,8.0,2.0,0.9915367897770012,-0.9915367897770012,v0,bcc,23.3032876156,0.0452025109,"[21.3329251871, 21.5574822944, 21.7820394016, 22.0065965088, 22.2311536161, 22.4557107233, 22.6802678305, 22.9048249378, 23.129382045, 23.3539391522, 23.5784962595]" +55,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,23.5366622812037,0.00024419830898985095,4.0,2.0,7.910393367417096,-7.910393367417096,v0,bcc,21.6748197092,0.3924558861,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,23.5366622812037,0.00024419830898985095,6.0,2.0,10.322964074409285,-10.322964074409285,v0,bcc,21.1069810896,4.7781e-06,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[0.044711787, -1.0572911, 0.044711787, -1.0572911, -0.23548788, -1.2842178, -0.23548788, -1.2842178]",PBE,23.5366622812037,0.00024419830898985095,14.0,2.0,240.72171475920388,240.72171475920388,v0,bcc,80.1945193216,3051179.6941969967,"[23.3638958425, 20.2100533626, 23.3638953706, 20.2100575466, 22.7926388283, 20.0308107685, 22.7924462078, 20.0308457806]" +58,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67803701, -0.68182738, -0.68486249, -0.68719473, -0.68888267, -0.68996074, -0.69046923, -0.69045356, -0.68994812, -0.6889854400000001, -0.68759706]",PBE,23.5366622812037,0.00024419830898985095,48.0,2.0,0.02157530891861526,0.02157530891861526,v0,bcc,23.5417403888,0.0001702725,"[22.0409748057, 22.2729850668, 22.5049953279, 22.737005589, 22.9690158501, 23.2010261113, 23.4330363724, 23.6650466335, 23.8970568946, 24.1290671557, 24.3610774168]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.024346132000000003, -1.1169917, -0.62349571, -1.0843623, -0.22020409, -1.269353, -0.22020408, -1.269353]",PBE,23.5366622812037,0.00024419830898985095,4.0,2.0,7.910393367417096,-7.910393367417096,v0,bcc,21.6748197092,0.3924558861,"[21.5503612167, 19.3871551527, 24.406578364, 19.3871091595, 23.2046368294, 19.3887370066, 23.204629125, 19.3887248657]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.080911853, -1.0170352, 0.08091184900000001, -1.0170352, -0.11210588, -1.1568443, -0.11210587, -1.1568443]",PBE,23.5366622812037,0.00024419830898985095,6.0,2.0,10.322964074409285,-10.322964074409285,v0,bcc,21.1069810896,4.7781e-06,"[23.7859326424, 20.3034818957, 23.785933633, 20.3034835881, 23.5397817112, 20.6637212993, 23.5397773295, 20.6637222308]" +61,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[0.044711787, -1.0572911, 0.044711787, -1.0572911, -0.23548788, -1.2842178, -0.23548788, -1.2842178]",PBE,23.5366622812037,0.00024419830898985095,14.0,2.0,240.72171475920388,240.72171475920388,v0,bcc,80.1945193216,3051179.6941969967,"[23.3638958425, 20.2100533626, 23.3638953706, 20.2100575466, 22.7926388283, 20.0308107685, 22.7924462078, 20.0308457806]" +62,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.67851297, -0.6821673500000001, -0.68507617, -0.68730798, -0.68889229, -0.68987675, -0.69031941, -0.69023551, -0.68966285, -0.68864614, -0.68722572]",PBE,23.5366622812037,0.00024419830898985095,32.0,2.0,0.040624291932571624,0.040624291932571624,v0,bcc,23.5462238836,0.0004453331,"[22.074733418, 22.307099033, 22.5394646479, 22.7718302628, 23.0041958777, 23.2365614927, 23.4689271076, 23.7012927225, 23.9336583374, 24.1660239524, 24.3983895673]" +63,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.67805026, -0.68184572, -0.68488858, -0.68722744, -0.68891293, -0.68999374, -0.69050681, -0.6904892300000001, -0.6899787, -0.68900987, -0.68761688]",PBE,23.5366622812037,0.00024419830898985095,62.0,2.0,0.01066276461087328,0.01066276461087328,v0,bcc,23.5391719401,0.00014656239999999998,"[22.0391267465, 22.2711175543, 22.5031083622, 22.7350991701, 22.9670899779, 23.1990807858, 23.4310715936, 23.6630624015, 23.8950532093, 24.1270440172, 24.3590348251]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836661, -0.73213136, -0.73507741, -0.73725354, -0.7387136, -0.73950464, -0.73967514, -0.73926906, -0.73832494, -0.73687238, -0.73495022]",PBE,41.5909714592444,0.009147957602924141,38.0,1.0,0.08477274061788151,0.08477274061788151,B,fcc,41.6262292656,0.0137049834,"[21.6401170789, 21.867907785, 22.0956984911, 22.3234891972, 22.5512799033, 22.7790706094, 23.0068613155, 23.2346520216, 23.4624427277, 23.6902334338, 23.918024139899998]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72834113, -0.73210303, -0.73504443, -0.73721757, -0.73867734, -0.73947459, -0.73965339, -0.7392534900000001, -0.7383130999999999, -0.73686473, -0.73494897]",PBE,41.5909714592444,0.009147957602924141,62.0,1.0,0.06335896835259823,-0.06335896835259823,B,fcc,41.5646198488,0.0086346626,"[21.6346528375, 21.8623860253, 22.0901192131, 22.3178524008, 22.5455855886, 22.773318776300002, 23.0010519641, 23.2287851519, 23.4565183396, 23.6842515274, 23.9119847152]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.73018514, -0.7338102, -0.7367368400000001, -0.73889225, -0.7403416700000001, -0.74112865, -0.74128944, -0.7408750900000001, -0.73990769, -0.73844309, -0.7365082900000001]",PBE,41.5909714592444,0.009147957602924141,14.0,1.0,0.19611668949720765,0.19611668949720765,B,fcc,41.6725382956,0.1370064837,"[21.6530068869, 21.8809332752, 22.1088596635, 22.3367860518, 22.5647124401, 22.7926388283, 23.0205652166, 23.2484916049, 23.4764179932, 23.7043443815, 23.9322707698]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72846153, -0.73221917, -0.73515438, -0.73731866, -0.7387684, -0.73955124, -0.73971457, -0.73930199, -0.73835063, -0.73689005, -0.7349597999999999]",PBE,41.5909714592444,0.009147957602924141,40.0,1.0,0.10089199454433868,0.10089199454433868,B,fcc,41.6329334199,0.0104429411,"[21.6388854087, 21.8666631499, 22.094440891, 22.3222186322, 22.5499963733, 22.7777741144, 23.0055518556, 23.2333295967, 23.4611073379, 23.688885079, 23.9166628202]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72697203, -0.73051287, -0.7333071, -0.73536249, -0.73672417, -0.73740308, -0.73746568, -0.73696911, -0.73595858, -0.7344662, -0.73253669]",PBE,41.5909714592444,0.009147957602924141,12.0,1.0,2.3044666744165845,-2.3044666744165845,B,fcc,40.6325213824,0.1484401246,"[21.7888563235, 22.0182127059, 22.2475690882, 22.4769254706, 22.7062818529, 22.9356382353, 23.1649946176, 23.394351, 23.6237073823, 23.8530637647, 24.082420147]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283674800000001, -0.73211654, -0.73504227, -0.73721147, -0.7386706, -0.73946903, -0.73964789, -0.73924595, -0.73830353, -0.73685165, -0.73493212]",PBE,41.5909714592444,0.009147957602924141,52.0,1.0,0.03749060889256016,-0.03749060889256016,B,fcc,41.5753787508,0.0129441142,"[21.6364169216, 21.8641686787, 22.0919204358, 22.3196721928, 22.5474239499, 22.775175707, 23.002927464, 23.2306792211, 23.4584309782, 23.6861827352, 23.9139344923]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835626, -0.73211714, -0.73505575, -0.73723233, -0.73869843, -0.73949863, -0.73967921, -0.7392820800000001, -0.73834511, -0.73690034, -0.73498621]",PBE,41.5909714592444,0.009147957602924141,60.0,1.0,0.08332461572425738,-0.08332461572425738,B,fcc,41.5563159421,0.0059899962,"[21.6348959981, 21.8626317454, 22.0903674928, 22.3181032401, 22.5458389875, 22.7735747348, 23.0013104822, 23.2290462295, 23.4567819769, 23.6845177242, 23.9122534716]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.73517812, -0.73731063, -0.73873323, -0.73949611, -0.73959998, -0.73916182, -0.73818001, -0.73669281, -0.73474354]",PBE,41.5909714592444,0.009147957602924141,26.0,1.0,0.14558035970603658,0.14558035970603658,B,fcc,41.6515197451,0.0624762966,"[21.6525877455, 21.8805097218, 22.1084316981, 22.3363536743, 22.5642756506, 22.7921976269, 23.0201196032, 23.2480415794, 23.4759635557, 23.703885532, 23.9318075082]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835898, -0.73212253, -0.73506457, -0.73724042, -0.7387014, -0.73949894, -0.73967658, -0.73927782, -0.7383419, -0.73689665, -0.73498248]",PBE,41.5909714592444,0.009147957602924141,54.0,1.0,0.1479922273628853,-0.1479922273628853,B,fcc,41.5294200542,0.007983156,"[21.6357561604, 21.8635009621, 22.0912457638, 22.3189905654, 22.5467353671, 22.7744801688, 23.0022249705, 23.2299697722, 23.4577145739, 23.6854593756, 23.9132041773]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.63612247, -0.6406571999999999, -0.64437846, -0.64733937, -0.6496457, -0.65130052, -0.65232905, -0.6528125100000001, -0.6527611, -0.6522089, -0.6511832]",PBE,41.5909714592444,0.009147957602924141,6.0,1.0,13.40153201616432,-13.40153201616432,B,fcc,36.0171441033,0.1226089858,"[22.362788463, 22.5981862363, 22.8335840096, 23.0689817829, 23.3043795562, 23.5397773295, 23.7751751028, 24.0105728761, 24.2459706493, 24.4813684226, 24.7167661959]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7276576100000001, -0.7318119200000001, -0.73514886, -0.73771458, -0.73955699, -0.7407379, -0.74129774, -0.74127126, -0.7407103700000001, -0.73964098, -0.73810063]",PBE,41.5909714592444,0.009147957602924141,10.0,1.0,3.6339759842480515,-3.6339759842480515,B,fcc,40.0795655448,0.0232626003,"[21.6379365806, 21.8657043341, 22.0934720876, 22.321239841, 22.5490075945, 22.776775348, 23.0045431015, 23.232310855, 23.4600786084, 23.6878463619, 23.9156141154]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72934889, -0.73305913, -0.73595363, -0.73808226, -0.73949577, -0.74022712, -0.74034217, -0.73988688, -0.7386859, -0.73719262, -0.73522893]",PBE,41.5909714592444,0.009147957602924141,20.0,1.0,2.3327006179846173,2.3327006179846173,B,fcc,42.5611643075,0.3240172884,"[21.6590025038, 21.8869920038, 22.1149815039, 22.3429710039, 22.5709605039, 22.798950004, 23.026939504, 23.2549290041, 23.4829185041, 23.7109080041, 23.9388975042]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72841153, -0.7321692, -0.73510083, -0.73726594, -0.73871599, -0.73949796, -0.73966239, -0.73924725, -0.73829378, -0.73684121, -0.73491723]",PBE,41.5909714592444,0.009147957602924141,46.0,1.0,0.050748079219741914,-0.050748079219741914,B,fcc,41.5698648401,0.0088074677,"[21.6372973534, 21.8650583782, 22.092819403, 22.3205804278, 22.5483414525, 22.7761024773, 23.0038635021, 23.2316245269, 23.4593855516, 23.6871465764, 23.9149076012]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283394999999999, -0.73210022, -0.73504201, -0.73721866, -0.73868308, -0.73948284, -0.73966117, -0.73926262, -0.7383240600000001, -0.73687645, -0.73495975]",PBE,41.5909714592444,0.009147957602924141,58.0,1.0,0.004790483546050998,-0.004790483546050998,B,fcc,41.5889790506,0.0062084861000000005,"[21.6351955506, 21.8629344511, 22.0906733516, 22.3184122522, 22.5461511527, 22.7738900532, 23.0016289538, 23.2293678543, 23.4571067548, 23.6848456554, 23.9125845559]" +14,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836937, -0.73212982, -0.7350678900000001, -0.73723975, -0.73869979, -0.73949499, -0.7396697600000001, -0.73926472, -0.7383193100000001, -0.73687049, -0.73495373]",PBE,41.5909714592444,0.009147957602924141,48.0,1.0,0.02840771044739814,-0.02840771044739814,B,fcc,41.5791564165,0.0095534767,"[21.6368488027, 21.8646051058, 22.092361409, 22.3201177122, 22.5478740154, 22.7756303186, 23.0033866218, 23.231142925, 23.4588992281, 23.6866555313, 23.9144118345]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835882, -0.73206496, -0.73496101, -0.73709771, -0.73853357, -0.73931499, -0.73948603, -0.73907742, -0.73808527, -0.7365866600000001, -0.73462457]",PBE,41.5909714592444,0.009147957602924141,22.0,1.0,0.7330417551183067,0.7330417551183067,B,fcc,41.8958506464,0.0684662251,"[21.6739451118, 21.9020919025, 22.1302386931, 22.3583854838, 22.5865322744, 22.8146790651, 23.0428258557, 23.2709726464, 23.499119437, 23.7272662277, 23.9554130183]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7301815500000001, -0.73380699, -0.73673491, -0.73889089, -0.74034085, -0.74112833, -0.7412895700000001, -0.74087566, -0.73990868, -0.73844447, -0.73651035]",PBE,41.5909714592444,0.009147957602924141,14.0,1.0,0.19677315216307714,0.19677315216307714,B,fcc,41.6728113248,0.1381271029,"[21.6528238974, 21.8807483595, 22.1086728216, 22.3365972836, 22.5645217457, 22.7924462078, 23.0203706699, 23.2482951319, 23.476219594, 23.7041440561, 23.9320685182]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72835871, -0.73212865, -0.7350781200000001, -0.73725696, -0.73872112, -0.73951908, -0.73969504, -0.73928944, -0.73834518, -0.7368931, -0.73497516]",PBE,41.5909714592444,0.009147957602924141,50.0,1.0,0.1846146818927658,0.1846146818927658,B,fcc,41.667754498899995,0.012095644,"[21.634777834, 21.8625123375, 22.090246841, 22.3179813445, 22.545715848, 22.7734503516, 23.0011848551, 23.2289193586, 23.4566538621, 23.6843883656, 23.9121228691]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72886682, -0.73256133, -0.73544547, -0.7375693, -0.73898547, -0.7397406999999999, -0.73987212, -0.7394129500000001, -0.73841203, -0.73690577, -0.7349241400000001]",PBE,41.5909714592444,0.009147957602924141,24.0,1.0,0.8170057688808183,0.8170057688808183,B,fcc,41.9307720954,0.025903167,"[21.6612564934, 21.8892697196, 22.1172829459, 22.3452961721, 22.5733093983, 22.8013226246, 23.0293358508, 23.2573490771, 23.4853623033, 23.7133755296, 23.9413887558]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7179055, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743157, -0.72796039, -0.72780822, -0.7270415100000001, -0.7256941100000001, -0.7238291, -0.72148506]",PBE,41.5909714592444,0.009147957602924141,4.0,1.0,6.943883655340019,6.943883655340019,B,fcc,44.479000128500005,0.1052999414,"[22.0443976688, 22.27644396, 22.5084902513, 22.7405365425, 22.9725828338, 23.204629125, 23.4366754163, 23.6687217075, 23.9007679988, 24.13281429, 24.3648605813]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351555, -0.73733696, -0.73879015, -0.7395701, -0.73972623, -0.7393082400000001, -0.73834373, -0.73687748, -0.73494392]",PBE,41.5909714592444,0.009147957602924141,34.0,1.0,0.44387939203706694,0.44387939203706694,B,fcc,41.775585210500005,0.0402737356,"[21.6428337027, 21.8706530048, 22.098472307, 22.3262916091, 22.5541109112, 22.7819302134, 23.0097495155, 23.2375688176, 23.4653881198, 23.6932074219, 23.921026724]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72697004, -0.73051086, -0.73330588, -0.73536163, -0.73672362, -0.73740286, -0.73746577, -0.7369695900000001, -0.73595929, -0.73446742, -0.7325378100000001]",PBE,41.5909714592444,0.009147957602924141,12.0,1.0,2.3026088601533177,-2.3026088601533177,B,fcc,40.6332940654,0.14869891200000002,"[21.7887253051, 22.0180803083, 22.2474353115, 22.4767903147, 22.7061453179, 22.9355003211, 23.1648553243, 23.3942103276, 23.623565330799998, 23.852920334, 24.0822753372]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836502, -0.7321305100000001, -0.73507677, -0.7372528500000001, -0.73871332, -0.73950453, -0.7396752, -0.73926926, -0.73832497, -0.73687286, -0.73495083]",PBE,41.5909714592444,0.009147957602924141,38.0,1.0,0.08424362746595276,0.08424362746595276,B,fcc,41.6260092023,0.0128867072,"[21.6400540435, 21.867844086, 22.0956341286, 22.3234241712, 22.5512142137, 22.7790042563, 23.0067942988, 23.2345843414, 23.462374384, 23.6901644265, 23.9179544691]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.73950115, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,41.5909714592444,0.009147957602924141,56.0,1.0,0.23344964916422328,0.23344964916422328,B,fcc,41.6880654362,0.016463776399999998,"[21.6351869748, 21.862925785, 22.0906645953, 22.3184034055, 22.5461422158, 22.7738810261, 23.0016198363, 23.2293586466, 23.4570974569, 23.6848362671, 23.9125750774]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72866381, -0.73239873, -0.73531353, -0.73746586, -0.73890043, -0.73966349, -0.73980778, -0.73937997, -0.73839835, -0.73691417, -0.73495228]",PBE,41.5909714592444,0.009147957602924141,30.0,1.0,0.6417470897912294,0.6417470897912294,B,fcc,41.8578803082,0.0181378943,"[21.6450578834, 21.8729005979, 22.1007433125, 22.3285860271, 22.5564287416, 22.7842714562, 23.0121141707, 23.2399568853, 23.4677995999, 23.6956423144, 23.923485029]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283409, -0.73210646, -0.73505198, -0.7372292500000001, -0.73869147, -0.73948879, -0.73966769, -0.73926939, -0.73833127, -0.73688535, -0.73496849]",PBE,41.5909714592444,0.009147957602924141,66.0,1.0,0.04267121906923939,-0.04267121906923939,B,fcc,41.5732240847,0.008740333000000001,"[21.6340689893, 21.8617960313, 22.0895230732, 22.3172501152, 22.5449771572, 22.7727041992, 23.0004312412, 23.2281582832, 23.4558853252, 23.6836123672, 23.9113394092]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833972, -0.73210268, -0.7350454, -0.73722401, -0.73869026, -0.73949126, -0.73967176, -0.7392741700000001, -0.73833747, -0.7368940900000001, -0.7349796]",PBE,41.5909714592444,0.009147957602924141,64.0,1.0,0.059962760833423494,-0.059962760833423494,B,fcc,41.566032364499996,0.0051235229,"[21.6344592038, 21.8621903533, 22.0899215028, 22.3176526523, 22.5453838018, 22.7731149513, 23.0008461008, 23.2285772503, 23.4563083999, 23.6840395494, 23.9117706989]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72765762, -0.73181145, -0.73514886, -0.7377142999999999, -0.739557, -0.7407378, -0.74129775, -0.74127127, -0.74071038, -0.73964099, -0.73810064]",PBE,41.5909714592444,0.009147957602924141,10.0,1.0,3.630977992962319,-3.630977992962319,B,fcc,40.0808124385,0.0239018571,"[21.6379284893, 21.8656961576, 22.0934638259, 22.3212314942, 22.5489991625, 22.7767668308, 23.0045344992, 23.2323021675, 23.4600698358, 23.6878375041, 23.9156051724]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836831, -0.73212897, -0.73506724, -0.73723929, -0.73869965, -0.73949488, -0.73966979, -0.73926492, -0.73831963, -0.73687097, -0.73495434]",PBE,41.5909714592444,0.009147957602924141,48.0,1.0,0.028228393645249587,-0.028228393645249587,B,fcc,41.5792309961,0.0095947651,"[21.6367928678, 21.8645485822, 22.0923042966, 22.320060011, 22.5478157253, 22.7755714397, 23.0033271541, 23.2310828685, 23.4588385829, 23.6865942973, 23.9143500117]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72869661, -0.73234432, -0.7351933700000001, -0.73729186, -0.73869145, -0.73943871, -0.7395774700000001, -0.7391534, -0.73819642, -0.73672971, -0.73472512]",PBE,41.5909714592444,0.009147957602924141,18.0,1.0,0.685606742376353,-0.685606742376353,B,fcc,41.305820954699996,0.10386327470000001,"[21.6877066772, 21.9159983264, 22.1442899756, 22.3725816249, 22.6008732741, 22.8291649233, 23.0574565726, 23.2857482218, 23.514039871, 23.7423315203, 23.9706231695]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72790685, -0.73160526, -0.73447074, -0.7365684, -0.73796664, -0.73871793, -0.73885132, -0.73841891, -0.73745925, -0.73602798, -0.73408885]",PBE,41.5909714592444,0.009147957602924141,16.0,1.0,1.8646483684670665,-1.8646483684670665,B,fcc,40.815446088499996,0.06304168190000001,"[21.7123545153, 21.9409056155, 22.1694567156, 22.3980078158, 22.6265589159, 22.8551100161, 23.0836611163, 23.3122122164, 23.5407633166, 23.7693144167, 23.9978655169]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284630999999999, -0.73219794, -0.7351160800000001, -0.73727077, -0.73871074, -0.73948332, -0.7396208, -0.73918808, -0.73821508, -0.73674622, -0.73481661]",PBE,41.5909714592444,0.009147957602924141,28.0,1.0,0.09228356493959873,0.09228356493959873,B,fcc,41.6293530904,0.050105142000000005,"[21.6523258339, 21.8802450532, 22.1081642725, 22.3360834918, 22.5640027111, 22.7919219304, 23.0198411497, 23.247760369, 23.4756795883, 23.7035988076, 23.9315180269]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838269, -0.73214785, -0.73509275, -0.73726746, -0.73872769, -0.73952204, -0.73969417, -0.73928527, -0.73833774, -0.73688245, -0.7349618800000001]",PBE,41.5909714592444,0.009147957602924141,50.0,1.0,0.18257436335674307,0.18257436335674307,B,fcc,41.6669059106,0.0125922628,"[21.6360722486, 21.8638203775, 22.0915685064, 22.3193166354, 22.5470647643, 22.7748128932, 23.0025610222, 23.2303091511, 23.45805728, 23.685805409, 23.9135535379]" +33,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283234, -0.7320863999999999, -0.73503142, -0.73721192, -0.73867945, -0.73948137, -0.73966157, -0.73926254, -0.73832429, -0.73687904, -0.73496522]",PBE,41.5909714592444,0.009147957602924141,68.0,1.0,0.020962789878900986,0.020962789878900986,B,fcc,41.599690087199996,0.011848213100000001,"[21.6340694232, 21.8617964698, 22.0895235164, 22.3172505629, 22.544977609500002, 22.772704656, 23.0004317026, 23.2281587492, 23.4558857957, 23.6836128423, 23.9113398888]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283577999999999, -0.73206414, -0.73496039, -0.7370975, -0.73853331, -0.7393148900000001, -0.7394858400000001, -0.73907764, -0.73808564, -0.73658715, -0.73462519]",PBE,41.5909714592444,0.009147957602924141,22.0,1.0,0.7315233936137722,0.7315233936137722,B,fcc,41.8952191451,0.06837896880000001,"[21.6738871906, 21.9020333715, 22.1301795525, 22.3583257334, 22.5864719144, 22.8146180953, 23.0427642763, 23.2709104572, 23.4990566382, 23.7272028191, 23.9553490001]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283674800000001, -0.73211611, -0.73504227, -0.73721147, -0.73867046, -0.73946903, -0.73964789, -0.73924595, -0.7383037, -0.73685165, -0.73493242]",PBE,41.5909714592444,0.009147957602924141,52.0,1.0,0.038991405046384715,-0.038991405046384715,B,fcc,41.5747545551,0.0127011541,"[21.63640931, 21.8641609869, 22.0919126639, 22.3196643408, 22.5474160177, 22.7751676947, 23.0029193716, 23.2306710486, 23.4584227255, 23.6861744025, 23.9139260794]" +36,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284636, -0.73219837, -0.7351164, -0.7372709900000001, -0.7387108800000001, -0.73948338, -0.73962077, -0.73918797, -0.7382149100000001, -0.73674598, -0.7348163]",PBE,41.5909714592444,0.009147957602924141,28.0,1.0,0.09223559587491405,0.09223559587491405,B,fcc,41.6293331396,0.0500802052,"[21.6523557411, 21.8802752753, 22.1081948094, 22.3361143435, 22.5640338776, 22.7919534117, 23.0198729458, 23.24779248, 23.4757120141, 23.7036315482, 23.9315510823]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.71790551, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743167, -0.72796039, -0.7278083200000001, -0.7270416, -0.72569424, -0.72382924, -0.72148522]",PBE,41.5909714592444,0.009147957602924141,4.0,1.0,6.9434391134274005,6.9434391134274005,B,fcc,44.4788152392,0.1053011551,"[22.0444049879, 22.2764513562, 22.5084977245, 22.7405440928, 22.9725904611, 23.2046368294, 23.4366831976, 23.6687295659, 23.9007759342, 24.1328223025, 24.3648686708]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7286955700000001, -0.73234349, -0.7351927500000001, -0.73729143, -0.73869119, -0.73943862, -0.73957754, -0.7391536200000001, -0.73819679, -0.7367301900000001, -0.73472578]",PBE,41.5909714592444,0.009147957602924141,18.0,1.0,0.6855986771644026,-0.6855986771644026,B,fcc,41.3058243091,0.1038210999,"[21.687650699, 21.915941759, 22.144232819, 22.372523879, 22.600814939, 22.829105999, 23.0573970589, 23.2856881189, 23.5139791789, 23.7422702389, 23.9705612989]" +39,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.63612248, -0.64065722, -0.64437848, -0.64733939, -0.64964572, -0.65130054, -0.6523290700000001, -0.65281254, -0.65276087, -0.65220893, -0.6511832200000001]",PBE,41.5909714592444,0.009147957602924141,6.0,1.0,13.40375300876821,-13.40375300876821,B,fcc,36.0162203709,0.1224246111,"[22.3627926257, 22.5981904428, 22.8335882599, 23.068986077, 23.3043838941, 23.5397817112, 23.7751795283, 24.0105773454, 24.2459751626, 24.4813729797, 24.7167707968]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284109999999999, -0.73216835, -0.73510051, -0.73726549, -0.7387158500000001, -0.7394978600000001, -0.73966219, -0.73924736, -0.73829413, -0.7368414600000001, -0.73491784]",PBE,41.5909714592444,0.009147957602924141,46.0,1.0,0.053328087001122994,-0.053328087001122994,B,fcc,41.5687917898,0.0088598198,"[21.6372614995, 21.8650221469, 22.0927827942, 22.3205434416, 22.5483040889, 22.7760647363, 23.0038253837, 23.231586031, 23.4593466784, 23.6871073258, 23.9148679731]" +41,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72833357, -0.73209555, -0.7350384400000001, -0.73721603, -0.7386815, -0.73948186, -0.73966137, -0.73926357, -0.73832589, -0.73687903, -0.73496332]",PBE,41.5909714592444,0.009147957602924141,58.0,1.0,0.009497167548176068,-0.009497167548176068,B,fcc,41.587021495,0.0061604214,"[21.6348766565, 21.8626122003, 22.090347744, 22.3180832878, 22.5458188315, 22.7735543753, 23.0012899191, 23.2290254628, 23.4567610066, 23.6844965503, 23.9122320941]" +42,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351558300000001, -0.73733696, -0.73879015, -0.73957016, -0.73972623, -0.7393082400000001, -0.7383435500000001, -0.73687724, -0.73494392]",PBE,41.5909714592444,0.009147957602924141,34.0,1.0,0.4428732154912415,0.4428732154912415,B,fcc,41.7751667319,0.0399465806,"[21.6428424896, 21.8706618842, 22.0984812788, 22.3263006735, 22.5541200681, 22.7819394627, 23.0097588574, 23.237578252, 23.4653976466, 23.6932170412, 23.9210364359]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839389, -0.73214785, -0.7350882400000001, -0.73726145, -0.73871515, -0.73950512, -0.73968267, -0.73928069, -0.73833919, -0.7368884, -0.73496678]",PBE,41.5909714592444,0.009147957602924141,44.0,1.0,0.07056729865797114,-0.07056729865797114,B,fcc,41.561621834200004,0.0201041868,"[21.6381933175, 21.8659637735, 22.0937342294, 22.3215046854, 22.5492751414, 22.7770455974, 23.0048160533, 23.2325865093, 23.4603569653, 23.6881274212, 23.9158978772]" +44,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72354093, -0.7296638400000001, -0.73484053, -0.73915199, -0.74209833, -0.74417485, -0.7454652900000001, -0.74605487, -0.74599411, -0.74533207, -0.74468523]",PBE,41.5909714592444,0.009147957602924141,8.0,1.0,3.588927784046334,3.588927784046334,B,fcc,43.083641389600004,2.3463372473,"[21.0124991027, 21.2336833038, 21.4548675049, 21.676051706, 21.897235907, 22.1184201081, 22.3396043092, 22.5607885103, 22.7819727114, 23.0031569124, 23.2243411135]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72850761, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920778, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,41.5909714592444,0.009147957602924141,36.0,1.0,0.4773122095475318,-0.4773122095475318,B,fcc,41.3924526744,0.0421799434,"[21.6410867787, 21.8688876921, 22.0966886056, 22.324489519, 22.5522904325, 22.780091346, 23.0078922594, 23.2356931729, 23.4634940863, 23.6912949998, 23.9190959133]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72838353, -0.73213333, -0.7350650400000001, -0.73723337, -0.7386872, -0.73947408, -0.73964275, -0.7392337, -0.73828366, -0.73682817, -0.73490579]",PBE,41.5909714592444,0.009147957602924141,42.0,1.0,0.003026004229878142,0.003026004229878142,B,fcc,41.592230003800005,0.0122778619,"[21.6389167199, 21.8666947907, 22.0944728614, 22.3222509321, 22.5500290029, 22.777807073600002, 23.0055851443, 23.2333632151, 23.4611412858, 23.6889193566, 23.9166974273]" +47,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833087, -0.73209647, -0.73504318, -0.73722391, -0.73869183, -0.73949489, -0.73967746, -0.73928101, -0.73834496, -0.73689972, -0.73498476]",PBE,41.5909714592444,0.009147957602924141,70.0,1.0,0.028411846708553498,0.028411846708553498,B,fcc,41.6027882223,0.0053741639,"[21.6338645246, 21.8615894143, 22.089314304, 22.3170391938, 22.5447640835, 22.7724889732, 23.000213863, 23.2279387527, 23.4556636424, 23.6833885322, 23.9111134219]" +48,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72886731, -0.73256175, -0.73544579, -0.73756952, -0.7389856, -0.7397407500000001, -0.73987209, -0.7394128600000001, -0.73841187, -0.73690553, -0.7349238300000001]",PBE,41.5909714592444,0.009147957602924141,24.0,1.0,0.8170246693770623,0.8170246693770623,B,fcc,41.9307799563,0.025855702100000003,"[21.6612864907, 21.8893000327, 22.1173135747, 22.3453271167, 22.5733406587, 22.8013542007, 23.0293677427, 23.2573812847, 23.4853948267, 23.7134083687, 23.9414219107]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72850708, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920788, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,41.5909714592444,0.009147957602924141,36.0,1.0,0.47647571261611776,-0.47647571261611776,B,fcc,41.3928005816,0.042129001500000006,"[21.6410795565, 21.868880394, 22.0966812314, 22.3244820689, 22.5522829063, 22.7800837437, 23.0078845812, 23.2356854186, 23.463486256, 23.6912870935, 23.9190879309]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.7395012, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,41.5909714592444,0.009147957602924141,56.0,1.0,0.23364409545187276,0.23364409545187276,B,fcc,41.6881463083,0.0164940066,"[21.6351945772, 21.8629334675, 22.0906723578, 22.3184112481, 22.5461501383, 22.7738890286, 23.0016279189, 23.2293668092, 23.4571056995, 23.6848445898, 23.9125834801]" +51,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836005, -0.73212338, -0.73506489, -0.73724108, -0.73870168, -0.73949919, -0.73967655, -0.73927774, -0.7383415600000001, -0.73689617, -0.73498187]",PBE,41.5909714592444,0.009147957602924141,54.0,1.0,0.14569790129518362,-0.14569790129518362,B,fcc,41.5303742867,0.0080079197,"[21.6358132886, 21.8635586916, 22.0913040947, 22.3190494977, 22.5467949007, 22.7745403038, 23.0022857068, 23.2300311099, 23.4577765129, 23.6855219159, 23.913267319]" +52,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72864217, -0.73238074, -0.73529975, -0.7374558800000001, -0.73889406, -0.73966139, -0.7398089800000001, -0.73938364, -0.73840562, -0.73692377, -0.73496561]",PBE,41.5909714592444,0.009147957602924141,30.0,1.0,0.6398810287862362,0.6398810287862362,B,fcc,41.8571041953,0.016683546900000002,"[21.6438534256, 21.8716834617, 22.0995134977, 22.3273435338, 22.5551735699, 22.7830036059, 23.010833642, 23.238663678, 23.4664937141, 23.6943237502, 23.9221537862]" +53,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.7351778, -0.7373103999999999, -0.73873309, -0.73949611, -0.73960001, -0.73916193, -0.73818019, -0.73669305, -0.73474385]",PBE,41.5909714592444,0.009147957602924141,26.0,1.0,0.14410259739744508,0.14410259739744508,B,fcc,41.6509051294,0.0625678234,"[21.6525692767, 21.8804910586, 22.1084128405, 22.3363346223, 22.564256404200002, 22.792178186, 23.0200999679, 23.2480217498, 23.4759435316, 23.7038653135, 23.9317870954]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839921, -0.73215719, -0.73509236, -0.73726141, -0.73871002, -0.73949254, -0.73965715, -0.73924647, -0.7382883100000001, -0.7368245800000001, -0.73489088]",PBE,41.5909714592444,0.009147957602924141,32.0,1.0,0.24247710769252964,0.24247710769252964,B,fcc,41.6918200439,0.0140236515,"[21.6451731927, 21.873017121, 22.1008610494, 22.3287049777, 22.5565489061, 22.7843928344, 23.0122367628, 23.2400806911, 23.4679246194, 23.6957685478, 23.9236124761]" +55,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72845782, -0.7322162, -0.73515212, -0.73731686, -0.73876743, -0.73955087, -0.73971475, -0.73930217, -0.73835185, -0.73689174, -0.73496163]",PBE,41.5909714592444,0.009147957602924141,40.0,1.0,0.10200403637403027,0.10200403637403027,B,fcc,41.6333959289,0.010698446499999998,"[21.6386881501, 21.8664638149, 22.0942394796, 22.3220151443, 22.5497908091, 22.7775664738, 23.0053421386, 23.2331178033, 23.460893468, 23.6886691328, 23.9164447975]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839758, -0.73215591, -0.73509139, -0.73726073, -0.7387096, -0.73949244, -0.73965723, -0.73924668, -0.73828808, -0.73682507, -0.7348918]",PBE,41.5909714592444,0.009147957602924141,32.0,1.0,0.24023718718258735,0.24023718718258735,B,fcc,41.6908884392,0.0136574289,"[21.6451001867, 21.8729433465, 22.1007865064, 22.3286296663, 22.5564728261, 22.784315986, 23.0121591458, 23.2400023057, 23.4678454656, 23.6956886254, 23.9235317853]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838248, -0.73213248, -0.73506439, -0.7372331400000001, -0.73868692, -0.73947397, -0.73964278, -0.7392339, -0.73828401, -0.73682865, -0.7349064]",PBE,41.5909714592444,0.009147957602924141,42.0,1.0,0.0027453370660439668,0.0027453370660439668,B,fcc,41.5921132716,0.0124320939,"[21.6388660354, 21.8666435726, 22.0944211098, 22.322198647, 22.5499761842, 22.7777537215, 23.0055312587, 23.2333087959, 23.4610863331, 23.6888638703, 23.9166414075]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839336, -0.73214743, -0.7350879100000001, -0.73726122, -0.7387150100000001, -0.73950501, -0.7396826999999999, -0.73928079, -0.73833936, -0.73688864, -0.73496709]",PBE,41.5909714592444,0.009147957602924141,44.0,1.0,0.07074449336494505,-0.07074449336494505,B,fcc,41.5615481372,0.0201719705,"[21.6381592136, 21.8659293106, 22.0936994076, 22.3214695045, 22.5492396015, 22.7770096985, 23.0047797955, 23.2325498925, 23.4603199895, 23.6880900865, 23.9158601834]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72790792, -0.7316060999999999, -0.7344710600000001, -0.7365686300000001, -0.73796677, -0.73871803, -0.73885126, -0.7384187, -0.73745889, -0.73602773, -0.73408852]",PBE,41.5909714592444,0.009147957602924141,16.0,1.0,1.8674933541898864,-1.8674933541898864,B,fcc,40.8142628313,0.0631253665,"[21.7124061084, 21.9409577516, 22.1695093949, 22.3980610381, 22.6266126814, 22.8551643246, 23.0837159679, 23.3122676111, 23.5408192543, 23.769370897599998, 23.9979225408]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72934997, -0.73305999, -0.73595429, -0.73808272, -0.7394961600000001, -0.7402272, -0.7403421, -0.73988666, -0.73868554, -0.73719212, -0.73522829]",PBE,41.5909714592444,0.009147957602924141,20.0,1.0,2.3325936310630775,2.3325936310630775,B,fcc,42.5611198106,0.32396096690000004,"[21.6590726725, 21.8870629111, 22.1150531498, 22.3430433884, 22.5710336271, 22.7990238658, 23.0270141044, 23.2550043431, 23.4829945817, 23.7109848204, 23.938975059]" +61,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72354179, -0.72966458, -0.73484116, -0.73915251, -0.74209866, -0.7441753, -0.74546542, -0.74605493, -0.7459940700000001, -0.74533202, -0.7446850700000001]",PBE,41.5909714592444,0.009147957602924141,8.0,1.0,3.5890247151796673,3.5890247151796673,B,fcc,43.0836817042,2.3462233629,"[21.0125343527, 21.2337189248, 21.4549034969, 21.6760880691, 21.8972726412, 22.1184572133, 22.3396417855, 22.5608263576, 22.7820109297, 23.0031955019, 23.224380074]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72846153, -0.73221917, -0.73515438, -0.73731866, -0.7387684, -0.73955124, -0.73971457, -0.73930199, -0.73835063, -0.73689005, -0.7349597999999999]",PBE,-0.739683142483837,3.03557521225158e-06,40.0,1.0,-0.006527635062875306,0.006527635062875306,E0,fcc,-0.7397314263,7.317e-07,"[21.6388854087, 21.8666631499, 22.094440891, 22.3222186322, 22.5499963733, 22.7777741144, 23.0055518556, 23.2333295967, 23.4611073379, 23.688885079, 23.9166628202]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836661, -0.73213136, -0.73507741, -0.73725354, -0.7387136, -0.73950464, -0.73967514, -0.73926906, -0.73832494, -0.73687238, -0.73495022]",PBE,-0.739683142483837,3.03557521225158e-06,38.0,1.0,-0.0009298192385375735,0.0009298192385375735,E0,fcc,-0.7396900202000001,9.549e-07,"[21.6401170789, 21.867907785, 22.0956984911, 22.3234891972, 22.5512799033, 22.7790706094, 23.0068613155, 23.2346520216, 23.4624427277, 23.6902334338, 23.918024139899998]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72834113, -0.73210303, -0.73504443, -0.73721757, -0.73867734, -0.73947459, -0.73965339, -0.7392534900000001, -0.7383130999999999, -0.73686473, -0.73494897]",PBE,-0.739683142483837,3.03557521225158e-06,62.0,1.0,-0.002411719669196353,-0.002411719669196353,E0,fcc,-0.7396653034,5.995e-07,"[21.6346528375, 21.8623860253, 22.0901192131, 22.3178524008, 22.5455855886, 22.773318776300002, 23.0010519641, 23.2287851519, 23.4565183396, 23.6842515274, 23.9119847152]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.73018514, -0.7338102, -0.7367368400000001, -0.73889225, -0.7403416700000001, -0.74112865, -0.74128944, -0.7408750900000001, -0.73990769, -0.73844309, -0.7365082900000001]",PBE,-0.739683142483837,3.03557521225158e-06,14.0,1.0,-0.2188741399089574,0.2188741399089574,E0,fcc,-0.7413021176000001,9.6127e-06,"[21.6530068869, 21.8809332752, 22.1088596635, 22.3367860518, 22.5647124401, 22.7926388283, 23.0205652166, 23.2484916049, 23.4764179932, 23.7043443815, 23.9322707698]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72697203, -0.73051287, -0.7333071, -0.73536249, -0.73672417, -0.73740308, -0.73746568, -0.73696911, -0.73595858, -0.7344662, -0.73253669]",PBE,-0.739683142483837,3.03557521225158e-06,12.0,1.0,-0.2948116779455692,-0.2948116779455692,E0,fcc,-0.7375024701999999,1.10827e-05,"[21.7888563235, 22.0182127059, 22.2475690882, 22.4769254706, 22.7062818529, 22.9356382353, 23.1649946176, 23.394351, 23.6237073823, 23.8530637647, 24.082420147]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283674800000001, -0.73211654, -0.73504227, -0.73721147, -0.7386706, -0.73946903, -0.73964789, -0.73924595, -0.73830353, -0.73685165, -0.73493212]",PBE,-0.739683142483837,3.03557521225158e-06,52.0,1.0,-0.003359652587662359,-0.003359652587662359,E0,fcc,-0.7396582917000001,8.995e-07,"[21.6364169216, 21.8641686787, 22.0919204358, 22.3196721928, 22.5474239499, 22.775175707, 23.002927464, 23.2306792211, 23.4584309782, 23.6861827352, 23.9139344923]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835626, -0.73211714, -0.73505575, -0.73723233, -0.73869843, -0.73949863, -0.73967921, -0.7392820800000001, -0.73834511, -0.73690034, -0.73498621]",PBE,-0.739683142483837,3.03557521225158e-06,60.0,1.0,-0.0010239811789541473,0.0010239811789541473,E0,fcc,-0.7396907167,4.149e-07,"[21.6348959981, 21.8626317454, 22.0903674928, 22.3181032401, 22.5458389875, 22.7735747348, 23.0013104822, 23.2290462295, 23.4567819769, 23.6845177242, 23.9122534716]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.73517812, -0.73731063, -0.73873323, -0.73949611, -0.73959998, -0.73916182, -0.73818001, -0.73669281, -0.73474354]",PBE,-0.739683142483837,3.03557521225158e-06,26.0,1.0,-0.006692674334956067,-0.006692674334956067,E0,fcc,-0.7396336379,4.4799e-06,"[21.6525877455, 21.8805097218, 22.1084316981, 22.3363536743, 22.5642756506, 22.7921976269, 23.0201196032, 23.2480415794, 23.4759635557, 23.703885532, 23.9318075082]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835898, -0.73212253, -0.73506457, -0.73724042, -0.7387014, -0.73949894, -0.73967658, -0.73927782, -0.7383419, -0.73689665, -0.73498248]",PBE,-0.739683142483837,3.03557521225158e-06,54.0,1.0,-0.0008752147765993392,0.0008752147765993392,E0,fcc,-0.7396896163000001,5.537e-07,"[21.6357561604, 21.8635009621, 22.0912457638, 22.3189905654, 22.5467353671, 22.7744801688, 23.0022249705, 23.2299697722, 23.4577145739, 23.6854593756, 23.9132041773]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.63612247, -0.6406571999999999, -0.64437846, -0.64733937, -0.6496457, -0.65130052, -0.65232905, -0.6528125100000001, -0.6527611, -0.6522089, -0.6511832]",PBE,-0.739683142483837,3.03557521225158e-06,6.0,1.0,-11.739042354305711,-11.739042354305711,E0,fcc,-0.6528514250999999,4.9676000000000005e-06,"[22.362788463, 22.5981862363, 22.8335840096, 23.0689817829, 23.3043795562, 23.5397773295, 23.7751751028, 24.0105728761, 24.2459706493, 24.4813684226, 24.7167661959]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72934889, -0.73305913, -0.73595363, -0.73808226, -0.73949577, -0.74022712, -0.74034217, -0.73988688, -0.7386859, -0.73719262, -0.73522893]",PBE,-0.739683142483837,3.03557521225158e-06,20.0,1.0,-0.09004673459589885,0.09004673459589885,E0,fcc,-0.7403492030000001,2.39067e-05,"[21.6590025038, 21.8869920038, 22.1149815039, 22.3429710039, 22.5709605039, 22.798950004, 23.026939504, 23.2549290041, 23.4829185041, 23.7109080041, 23.9388975042]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7276576100000001, -0.7318119200000001, -0.73514886, -0.73771458, -0.73955699, -0.7407379, -0.74129774, -0.74127126, -0.7407103700000001, -0.73964098, -0.73810063]",PBE,-0.739683142483837,3.03557521225158e-06,10.0,1.0,-0.22604338535396137,0.22604338535396137,E0,fcc,-0.7413551473000001,1.2544e-06,"[21.6379365806, 21.8657043341, 22.0934720876, 22.321239841, 22.5490075945, 22.776775348, 23.0045431015, 23.232310855, 23.4600786084, 23.6878463619, 23.9156141154]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72841153, -0.7321692, -0.73510083, -0.73726594, -0.73871599, -0.73949796, -0.73966239, -0.73924725, -0.73829378, -0.73684121, -0.73491723]",PBE,-0.739683142483837,3.03557521225158e-06,46.0,1.0,-0.0009053314118421086,-0.0009053314118421086,E0,fcc,-0.7396764459,6.169e-07,"[21.6372973534, 21.8650583782, 22.092819403, 22.3205804278, 22.5483414525, 22.7761024773, 23.0038635021, 23.2316245269, 23.4593855516, 23.6871465764, 23.9149076012]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283394999999999, -0.73210022, -0.73504201, -0.73721866, -0.73868308, -0.73948284, -0.73966117, -0.73926262, -0.7383240600000001, -0.73687645, -0.73495975]",PBE,-0.739683142483837,3.03557521225158e-06,58.0,1.0,-0.0012953497635411007,-0.0012953497635411007,E0,fcc,-0.7396735609999999,4.305e-07,"[21.6351955506, 21.8629344511, 22.0906733516, 22.3184122522, 22.5461511527, 22.7738900532, 23.0016289538, 23.2293678543, 23.4571067548, 23.6848456554, 23.9125845559]" +14,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836937, -0.73212982, -0.7350678900000001, -0.73723975, -0.73869979, -0.73949499, -0.7396697600000001, -0.73926472, -0.7383193100000001, -0.73687049, -0.73495373]",PBE,-0.739683142483837,3.03557521225158e-06,48.0,1.0,-0.00028497118780689446,-0.00028497118780689446,E0,fcc,-0.7396810345999999,6.647000000000001e-07,"[21.6368488027, 21.8646051058, 22.092361409, 22.3201177122, 22.5478740154, 22.7756303186, 23.0033866218, 23.231142925, 23.4588992281, 23.6866555313, 23.9144118345]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835882, -0.73206496, -0.73496101, -0.73709771, -0.73853357, -0.73931499, -0.73948603, -0.73907742, -0.73808527, -0.7365866600000001, -0.73462457]",PBE,-0.739683142483837,3.03557521225158e-06,22.0,1.0,-0.024797791554519753,-0.024797791554519753,E0,fcc,-0.7394997174,4.8467000000000005e-06,"[21.6739451118, 21.9020919025, 22.1302386931, 22.3583854838, 22.5865322744, 22.8146790651, 23.0428258557, 23.2709726464, 23.499119437, 23.7272662277, 23.9554130183]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7301815500000001, -0.73380699, -0.73673491, -0.73889089, -0.74034085, -0.74112833, -0.7412895700000001, -0.74087566, -0.73990868, -0.73844447, -0.73651035]",PBE,-0.739683142483837,3.03557521225158e-06,14.0,1.0,-0.21887774956266653,0.21887774956266653,E0,fcc,-0.7413021443000001,9.6876e-06,"[21.6528238974, 21.8807483595, 22.1086728216, 22.3365972836, 22.5645217457, 22.7924462078, 23.0203706699, 23.2482951319, 23.476219594, 23.7041440561, 23.9320685182]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72835871, -0.73212865, -0.7350781200000001, -0.73725696, -0.73872112, -0.73951908, -0.73969504, -0.73928944, -0.73834518, -0.7368931, -0.73497516]",PBE,-0.739683142483837,3.03557521225158e-06,50.0,1.0,-0.0031265301092734763,0.0031265301092734763,E0,fcc,-0.7397062689,8.407000000000002e-07,"[21.634777834, 21.8625123375, 22.090246841, 22.3179813445, 22.545715848, 22.7734503516, 23.0011848551, 23.2289193586, 23.4566538621, 23.6843883656, 23.9121228691]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72886682, -0.73256133, -0.73544547, -0.7375693, -0.73898547, -0.7397406999999999, -0.73987212, -0.7394129500000001, -0.73841203, -0.73690577, -0.7349241400000001]",PBE,-0.739683142483837,3.03557521225158e-06,24.0,1.0,-0.028042604224623922,0.028042604224623922,E0,fcc,-0.7398905689,1.8677000000000001e-06,"[21.6612564934, 21.8892697196, 22.1172829459, 22.3452961721, 22.5733093983, 22.8013226246, 23.0293358508, 23.2573490771, 23.4853623033, 23.7133755296, 23.9413887558]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7179055, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743157, -0.72796039, -0.72780822, -0.7270415100000001, -0.7256941100000001, -0.7238291, -0.72148506]",PBE,-0.739683142483837,3.03557521225158e-06,4.0,1.0,-1.5847700063129533,-1.5847700063129533,E0,fcc,-0.7279608659000001,9.238300000000001e-06,"[22.0443976688, 22.27644396, 22.5084902513, 22.7405365425, 22.9725828338, 23.204629125, 23.4366754163, 23.6687217075, 23.9007679988, 24.13281429, 24.3648605813]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351555, -0.73733696, -0.73879015, -0.7395701, -0.73972623, -0.7393082400000001, -0.73834373, -0.73687748, -0.73494392]",PBE,-0.739683142483837,3.03557521225158e-06,34.0,1.0,-0.008188156885616202,0.008188156885616202,E0,fcc,-0.7397437089000001,2.8302e-06,"[21.6428337027, 21.8706530048, 22.098472307, 22.3262916091, 22.5541109112, 22.7819302134, 23.0097495155, 23.2375688176, 23.4653881198, 23.6932074219, 23.921026724]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72697004, -0.73051086, -0.73330588, -0.73536163, -0.73672362, -0.73740286, -0.73746577, -0.7369695900000001, -0.73595929, -0.73446742, -0.7325378100000001]",PBE,-0.739683142483837,3.03557521225158e-06,12.0,1.0,-0.2948059863192856,-0.2948059863192856,E0,fcc,-0.7375025123000001,1.10994e-05,"[21.7887253051, 22.0180803083, 22.2474353115, 22.4767903147, 22.7061453179, 22.9355003211, 23.1648553243, 23.3942103276, 23.623565330799998, 23.852920334, 24.0822753372]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836502, -0.7321305100000001, -0.73507677, -0.7372528500000001, -0.73871332, -0.73950453, -0.7396752, -0.73926926, -0.73832497, -0.73687286, -0.73495083]",PBE,-0.739683142483837,3.03557521225158e-06,38.0,1.0,-0.0009231812611056595,0.0009231812611056595,E0,fcc,-0.7396899711,8.978e-07,"[21.6400540435, 21.867844086, 22.0956341286, 22.3234241712, 22.5512142137, 22.7790042563, 23.0067942988, 23.2345843414, 23.462374384, 23.6901644265, 23.9179544691]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.73950115, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,-0.739683142483837,3.03557521225158e-06,56.0,1.0,-0.0003942926363344042,0.0003942926363344042,E0,fcc,-0.7396860590000001,1.1471e-06,"[21.6351869748, 21.862925785, 22.0906645953, 22.3184034055, 22.5461422158, 22.7738810261, 23.0016198363, 23.2293586466, 23.4570974569, 23.6848362671, 23.9125750774]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72866381, -0.73239873, -0.73531353, -0.73746586, -0.73890043, -0.73966349, -0.73980778, -0.73937997, -0.73839835, -0.73691417, -0.73495228]",PBE,-0.739683142483837,3.03557521225158e-06,30.0,1.0,-0.020001282666275016,0.020001282666275016,E0,fcc,-0.7398310886,1.2895e-06,"[21.6450578834, 21.8729005979, 22.1007433125, 22.3285860271, 22.5564287416, 22.7842714562, 23.0121141707, 23.2399568853, 23.4677995999, 23.6956423144, 23.923485029]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283409, -0.73210646, -0.73505198, -0.7372292500000001, -0.73869147, -0.73948879, -0.73966769, -0.73926939, -0.73833127, -0.73688535, -0.73496849]",PBE,-0.739683142483837,3.03557521225158e-06,66.0,1.0,-0.0003313559139348103,-0.0003313559139348103,E0,fcc,-0.7396806915,6.062e-07,"[21.6340689893, 21.8617960313, 22.0895230732, 22.3172501152, 22.5449771572, 22.7727041992, 23.0004312412, 23.2281582832, 23.4558853252, 23.6836123672, 23.9113394092]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833972, -0.73210268, -0.7350454, -0.73722401, -0.73869026, -0.73949126, -0.73967176, -0.7392741700000001, -0.73833747, -0.7368940900000001, -0.7349796]",PBE,-0.739683142483837,3.03557521225158e-06,64.0,1.0,-1.3656680418554922e-05,1.3656680418554922e-05,E0,fcc,-0.7396832434999999,3.548000000000001e-07,"[21.6344592038, 21.8621903533, 22.0899215028, 22.3176526523, 22.5453838018, 22.7731149513, 23.0008461008, 23.2285772503, 23.4563083999, 23.6840395494, 23.9117706989]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72765762, -0.73181145, -0.73514886, -0.7377142999999999, -0.739557, -0.7407378, -0.74129775, -0.74127127, -0.74071038, -0.73964099, -0.73810064]",PBE,-0.739683142483837,3.03557521225158e-06,10.0,1.0,-0.22604499415093157,0.22604499415093157,E0,fcc,-0.7413551592000001,1.2888e-06,"[21.6379284893, 21.8656961576, 22.0934638259, 22.3212314942, 22.5489991625, 22.7767668308, 23.0045344992, 23.2323021675, 23.4600698358, 23.6878375041, 23.9156051724]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836831, -0.73212897, -0.73506724, -0.73723929, -0.73869965, -0.73949488, -0.73966979, -0.73926492, -0.73831963, -0.73687097, -0.73495434]",PBE,-0.739683142483837,3.03557521225158e-06,48.0,1.0,-0.0002812263410486638,-0.0002812263410486638,E0,fcc,-0.7396810623000001,6.675000000000001e-07,"[21.6367928678, 21.8645485822, 22.0923042966, 22.320060011, 22.5478157253, 22.7755714397, 23.0033271541, 23.2310828685, 23.4588385829, 23.6865942973, 23.9143500117]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72869661, -0.73234432, -0.7351933700000001, -0.73729186, -0.73869145, -0.73943871, -0.7395774700000001, -0.7391534, -0.73819642, -0.73672971, -0.73472512]",PBE,-0.739683142483837,3.03557521225158e-06,18.0,1.0,-0.00983541190255787,-0.00983541190255787,E0,fcc,-0.7396103916,7.4351e-06,"[21.6877066772, 21.9159983264, 22.1442899756, 22.3725816249, 22.6008732741, 22.8291649233, 23.0574565726, 23.2857482218, 23.514039871, 23.7423315203, 23.9706231695]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72790685, -0.73160526, -0.73447074, -0.7365684, -0.73796664, -0.73871793, -0.73885132, -0.73841891, -0.73745925, -0.73602798, -0.73408885]",PBE,-0.739683142483837,3.03557521225158e-06,16.0,1.0,-0.1093955286205149,-0.1093955286205149,E0,fcc,-0.7388739622,4.5078e-06,"[21.7123545153, 21.9409056155, 22.1694567156, 22.3980078158, 22.6265589159, 22.8551100161, 23.0836611163, 23.3122122164, 23.5407633166, 23.7693144167, 23.9978655169]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284630999999999, -0.73219794, -0.7351160800000001, -0.73727077, -0.73871074, -0.73948332, -0.7396208, -0.73918808, -0.73821508, -0.73674622, -0.73481661]",PBE,-0.739683142483837,3.03557521225158e-06,28.0,1.0,-0.005900362105116267,-0.005900362105116267,E0,fcc,-0.7396394985,3.5518e-06,"[21.6523258339, 21.8802450532, 22.1081642725, 22.3360834918, 22.5640027111, 22.7919219304, 23.0198411497, 23.247760369, 23.4756795883, 23.7035988076, 23.9315180269]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838269, -0.73214785, -0.73509275, -0.73726746, -0.73872769, -0.73952204, -0.73969417, -0.73928527, -0.73833774, -0.73688245, -0.7349618800000001]",PBE,-0.739683142483837,3.03557521225158e-06,50.0,1.0,-0.0031170801169733042,0.0031170801169733042,E0,fcc,-0.739706199,8.774000000000002e-07,"[21.6360722486, 21.8638203775, 22.0915685064, 22.3193166354, 22.5470647643, 22.7748128932, 23.0025610222, 23.2303091511, 23.45805728, 23.685805409, 23.9135535379]" +33,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283234, -0.7320863999999999, -0.73503142, -0.73721192, -0.73867945, -0.73948137, -0.73966157, -0.73926254, -0.73832429, -0.73687904, -0.73496522]",PBE,-0.739683142483837,3.03557521225158e-06,68.0,1.0,-0.0014513760312244524,-0.0014513760312244524,E0,fcc,-0.7396724069,8.206e-07,"[21.6340694232, 21.8617964698, 22.0895235164, 22.3172505629, 22.544977609500002, 22.772704656, 23.0004317026, 23.2281587492, 23.4558857957, 23.6836128423, 23.9113398888]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283577999999999, -0.73206414, -0.73496039, -0.7370975, -0.73853331, -0.7393148900000001, -0.7394858400000001, -0.73907764, -0.73808564, -0.73658715, -0.73462519]",PBE,-0.739683142483837,3.03557521225158e-06,22.0,1.0,-0.024799643698921243,-0.024799643698921243,E0,fcc,-0.7394997037000001,4.84e-06,"[21.6738871906, 21.9020333715, 22.1301795525, 22.3583257334, 22.5864719144, 22.8146180953, 23.0427642763, 23.2709104572, 23.4990566382, 23.7272028191, 23.9553490001]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283674800000001, -0.73211611, -0.73504227, -0.73721147, -0.73867046, -0.73946903, -0.73964789, -0.73924595, -0.7383037, -0.73685165, -0.73493242]",PBE,-0.739683142483837,3.03557521225158e-06,52.0,1.0,-0.0033613695390598123,-0.0033613695390598123,E0,fcc,-0.739658279,8.826e-07,"[21.63640931, 21.8641609869, 22.0919126639, 22.3196643408, 22.5474160177, 22.7751676947, 23.0029193716, 23.2306710486, 23.4584227255, 23.6861744025, 23.9139260794]" +36,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284636, -0.73219837, -0.7351164, -0.7372709900000001, -0.7387108800000001, -0.73948338, -0.73962077, -0.73918797, -0.7382149100000001, -0.73674598, -0.7348163]",PBE,-0.739683142483837,3.03557521225158e-06,28.0,1.0,-0.0059012678983543995,-0.0059012678983543995,E0,fcc,-0.7396394918000001,3.5503e-06,"[21.6523557411, 21.8802752753, 22.1081948094, 22.3361143435, 22.5640338776, 22.7919534117, 23.0198729458, 23.24779248, 23.4757120141, 23.7036315482, 23.9315510823]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.71790551, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743167, -0.72796039, -0.7278083200000001, -0.7270416, -0.72569424, -0.72382924, -0.72148522]",PBE,-0.739683142483837,3.03557521225158e-06,4.0,1.0,-1.58476155674903,-1.58476155674903,E0,fcc,-0.7279609284,9.238300000000001e-06,"[22.0444049879, 22.2764513562, 22.5084977245, 22.7405440928, 22.9725904611, 23.2046368294, 23.4366831976, 23.6687295659, 23.9007759342, 24.1328223025, 24.3648686708]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7286955700000001, -0.73234349, -0.7351927500000001, -0.73729143, -0.73869119, -0.73943862, -0.73957754, -0.7391536200000001, -0.73819679, -0.7367301900000001, -0.73472578]",PBE,-0.739683142483837,3.03557521225158e-06,18.0,1.0,-0.009831964480474568,-0.009831964480474568,E0,fcc,-0.7396104171,7.4311e-06,"[21.687650699, 21.915941759, 22.144232819, 22.372523879, 22.600814939, 22.829105999, 23.0573970589, 23.2856881189, 23.5139791789, 23.7422702389, 23.9705612989]" +39,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.63612248, -0.64065722, -0.64437848, -0.64733939, -0.64964572, -0.65130054, -0.6523290700000001, -0.65281254, -0.65276087, -0.65220893, -0.6511832200000001]",PBE,-0.739683142483837,3.03557521225158e-06,6.0,1.0,-11.739048154086394,-11.739048154086394,E0,fcc,-0.6528513821999999,4.9602e-06,"[22.3627926257, 22.5981904428, 22.8335882599, 23.068986077, 23.3043838941, 23.5397817112, 23.7751795283, 24.0105773454, 24.2459751626, 24.4813729797, 24.7167707968]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284109999999999, -0.73216835, -0.73510051, -0.73726549, -0.7387158500000001, -0.7394978600000001, -0.73966219, -0.73924736, -0.73829413, -0.7368414600000001, -0.73491784]",PBE,-0.739683142483837,3.03557521225158e-06,46.0,1.0,-0.0009138080143721091,-0.0009138080143721091,E0,fcc,-0.7396763832000001,6.204999999999999e-07,"[21.6372614995, 21.8650221469, 22.0927827942, 22.3205434416, 22.5483040889, 22.7760647363, 23.0038253837, 23.231586031, 23.4593466784, 23.6871073258, 23.9148679731]" +41,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72833357, -0.73209555, -0.7350384400000001, -0.73721603, -0.7386815, -0.73948186, -0.73966137, -0.73926357, -0.73832589, -0.73687903, -0.73496332]",PBE,-0.739683142483837,3.03557521225158e-06,58.0,1.0,-0.0013069087669774564,-0.0013069087669774564,E0,fcc,-0.7396734755000001,4.269e-07,"[21.6348766565, 21.8626122003, 22.090347744, 22.3180832878, 22.5458188315, 22.7735543753, 23.0012899191, 23.2290254628, 23.4567610066, 23.6844965503, 23.9122320941]" +42,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351558300000001, -0.73733696, -0.73879015, -0.73957016, -0.73972623, -0.7393082400000001, -0.7383435500000001, -0.73687724, -0.73494392]",PBE,-0.739683142483837,3.03557521225158e-06,34.0,1.0,-0.008183803670279757,0.008183803670279757,E0,fcc,-0.7397436767000001,2.8073e-06,"[21.6428424896, 21.8706618842, 22.0984812788, 22.3263006735, 22.5541200681, 22.7819394627, 23.0097588574, 23.237578252, 23.4653976466, 23.6932170412, 23.9210364359]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839389, -0.73214785, -0.7350882400000001, -0.73726145, -0.73871515, -0.73950512, -0.73968267, -0.73928069, -0.73833919, -0.7368884, -0.73496678]",PBE,-0.739683142483837,3.03557521225158e-06,44.0,1.0,-0.0017975015786208508,0.0017975015786208508,E0,fcc,-0.7396964383,1.399e-06,"[21.6381933175, 21.8659637735, 22.0937342294, 22.3215046854, 22.5492751414, 22.7770455974, 23.0048160533, 23.2325865093, 23.4603569653, 23.6881274212, 23.9158978772]" +44,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72354093, -0.7296638400000001, -0.73484053, -0.73915199, -0.74209833, -0.74417485, -0.7454652900000001, -0.74605487, -0.74599411, -0.74533207, -0.74468523]",PBE,-0.739683142483837,3.03557521225158e-06,8.0,1.0,-0.8731954326381177,0.8731954326381177,E0,fcc,-0.7461420219,8.561590000000001e-05,"[21.0124991027, 21.2336833038, 21.4548675049, 21.676051706, 21.897235907, 22.1184201081, 22.3396043092, 22.5607885103, 22.7819727114, 23.0031569124, 23.2243411135]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72850761, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920778, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,-0.739683142483837,3.03557521225158e-06,36.0,1.0,-0.003839858204906824,-0.003839858204906824,E0,fcc,-0.7396547397000001,2.9869e-06,"[21.6410867787, 21.8688876921, 22.0966886056, 22.324489519, 22.5522904325, 22.780091346, 23.0078922594, 23.2356931729, 23.4634940863, 23.6912949998, 23.9190959133]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72838353, -0.73213333, -0.7350650400000001, -0.73723337, -0.7386872, -0.73947408, -0.73964275, -0.7392337, -0.73828366, -0.73682817, -0.73490579]",PBE,-0.739683142483837,3.03557521225158e-06,42.0,1.0,-0.0035774350282152616,-0.0035774350282152616,E0,fcc,-0.7396566808,8.577000000000002e-07,"[21.6389167199, 21.8666947907, 22.0944728614, 22.3222509321, 22.5500290029, 22.777807073600002, 23.0055851443, 23.2333632151, 23.4611412858, 23.6889193566, 23.9166974273]" +47,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833087, -0.73209647, -0.73504318, -0.73722391, -0.73869183, -0.73949489, -0.73967746, -0.73928101, -0.73834496, -0.73689972, -0.73498476]",PBE,-0.739683142483837,3.03557521225158e-06,70.0,1.0,-0.0007425228246431922,0.0007425228246431922,E0,fcc,-0.7396886348,3.719e-07,"[21.6338645246, 21.8615894143, 22.089314304, 22.3170391938, 22.5447640835, 22.7724889732, 23.000213863, 23.2279387527, 23.4556636424, 23.6833885322, 23.9111134219]" +48,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72886731, -0.73256175, -0.73544579, -0.73756952, -0.7389856, -0.7397407500000001, -0.73987209, -0.7394128600000001, -0.73841187, -0.73690553, -0.7349238300000001]",PBE,-0.739683142483837,3.03557521225158e-06,24.0,1.0,-0.028042496070196682,0.028042496070196682,E0,fcc,-0.7398905681,1.8644e-06,"[21.6612864907, 21.8893000327, 22.1173135747, 22.3453271167, 22.5733406587, 22.8013542007, 23.0293677427, 23.2573812847, 23.4853948267, 23.7134083687, 23.9414219107]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72850708, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920788, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,-0.739683142483837,3.03557521225158e-06,36.0,1.0,-0.0038356266632860224,-0.0038356266632860224,E0,fcc,-0.7396547710000001,2.9833000000000007e-06,"[21.6410795565, 21.868880394, 22.0966812314, 22.3244820689, 22.5522829063, 22.7800837437, 23.0078845812, 23.2356854186, 23.463486256, 23.6912870935, 23.9190879309]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.7395012, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,-0.739683142483837,3.03557521225158e-06,56.0,1.0,-0.0003956986437535237,0.0003956986437535237,E0,fcc,-0.7396860693999999,1.1491e-06,"[21.6351945772, 21.8629334675, 22.0906723578, 22.3184112481, 22.5461501383, 22.7738890286, 23.0016279189, 23.2293668092, 23.4571056995, 23.6848445898, 23.9125834801]" +51,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836005, -0.73212338, -0.73506489, -0.73724108, -0.73870168, -0.73949919, -0.73967655, -0.73927774, -0.7383415600000001, -0.73689617, -0.73498187]",PBE,-0.739683142483837,3.03557521225158e-06,54.0,1.0,-0.0008830289333074833,0.0008830289333074833,E0,fcc,-0.7396896741,5.555e-07,"[21.6358132886, 21.8635586916, 22.0913040947, 22.3190494977, 22.5467949007, 22.7745403038, 23.0022857068, 23.2300311099, 23.4577765129, 23.6855219159, 23.913267319]" +52,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72864217, -0.73238074, -0.73529975, -0.7374558800000001, -0.73889406, -0.73966139, -0.7398089800000001, -0.73938364, -0.73840562, -0.73692377, -0.73496561]",PBE,-0.739683142483837,3.03557521225158e-06,30.0,1.0,-0.01999579382954254,0.01999579382954254,E0,fcc,-0.739831048,1.1832e-06,"[21.6438534256, 21.8716834617, 22.0995134977, 22.3273435338, 22.5551735699, 22.7830036059, 23.010833642, 23.238663678, 23.4664937141, 23.6943237502, 23.9221537862]" +53,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72845782, -0.7322162, -0.73515212, -0.73731686, -0.73876743, -0.73955087, -0.73971475, -0.73930217, -0.73835185, -0.73689174, -0.73496163]",PBE,-0.739683142483837,3.03557521225158e-06,40.0,1.0,-0.006521821762891108,0.006521821762891108,E0,fcc,-0.7397313833,7.493000000000002e-07,"[21.6386881501, 21.8664638149, 22.0942394796, 22.3220151443, 22.5497908091, 22.7775664738, 23.0053421386, 23.2331178033, 23.460893468, 23.6886691328, 23.9164447975]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.7351778, -0.7373103999999999, -0.73873309, -0.73949611, -0.73960001, -0.73916193, -0.73818019, -0.73669305, -0.73474385]",PBE,-0.739683142483837,3.03557521225158e-06,26.0,1.0,-0.0066929041630989575,-0.0066929041630989575,E0,fcc,-0.7396336362,4.4862e-06,"[21.6525692767, 21.8804910586, 22.1084128405, 22.3363346223, 22.564256404200002, 22.792178186, 23.0200999679, 23.2480217498, 23.4759435316, 23.7038653135, 23.9317870954]" +55,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839921, -0.73215719, -0.73509236, -0.73726141, -0.73871002, -0.73949254, -0.73965715, -0.73924647, -0.7382883100000001, -0.7368245800000001, -0.73489088]",PBE,-0.739683142483837,3.03557521225158e-06,32.0,1.0,-0.0012095562712122715,-0.0012095562712122715,E0,fcc,-0.7396741956,9.834e-07,"[21.6451731927, 21.873017121, 22.1008610494, 22.3287049777, 22.5565489061, 22.7843928344, 23.0122367628, 23.2400806911, 23.4679246194, 23.6957685478, 23.9236124761]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839758, -0.73215591, -0.73509139, -0.73726073, -0.7387096, -0.73949244, -0.73965723, -0.73924668, -0.73828808, -0.73682507, -0.7348918]",PBE,-0.739683142483837,3.03557521225158e-06,32.0,1.0,-0.0012278208485975704,-0.0012278208485975704,E0,fcc,-0.7396740605000001,9.576e-07,"[21.6451001867, 21.8729433465, 22.1007865064, 22.3286296663, 22.5564728261, 22.784315986, 23.0121591458, 23.2400023057, 23.4678454656, 23.6956886254, 23.9235317853]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838248, -0.73213248, -0.73506439, -0.7372331400000001, -0.73868692, -0.73947397, -0.73964278, -0.7392339, -0.73828401, -0.73682865, -0.7349064]",PBE,-0.739683142483837,3.03557521225158e-06,42.0,1.0,-0.003573636104273427,-0.003573636104273427,E0,fcc,-0.7396567089,8.684e-07,"[21.6388660354, 21.8666435726, 22.0944211098, 22.322198647, 22.5499761842, 22.7777537215, 23.0055312587, 23.2333087959, 23.4610863331, 23.6888638703, 23.9166414075]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839336, -0.73214743, -0.7350879100000001, -0.73726122, -0.7387150100000001, -0.73950501, -0.7396826999999999, -0.73928079, -0.73833936, -0.73688864, -0.73496709]",PBE,-0.739683142483837,3.03557521225158e-06,44.0,1.0,-0.001797095999563705,0.001797095999563705,E0,fcc,-0.7396964353000001,1.4036000000000002e-06,"[21.6381592136, 21.8659293106, 22.0936994076, 22.3214695045, 22.5492396015, 22.7770096985, 23.0047797955, 23.2325498925, 23.4603199895, 23.6880900865, 23.9158601834]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72790792, -0.7316060999999999, -0.7344710600000001, -0.7365686300000001, -0.73796677, -0.73871803, -0.73885126, -0.7384187, -0.73745889, -0.73602773, -0.73408852]",PBE,-0.739683142483837,3.03557521225158e-06,16.0,1.0,-0.10940637110094578,-0.10940637110094578,E0,fcc,-0.738873882,4.5142e-06,"[21.7124061084, 21.9409577516, 22.1695093949, 22.3980610381, 22.6266126814, 22.8551643246, 23.0837159679, 23.3122676111, 23.5408192543, 23.769370897599998, 23.9979225408]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72934997, -0.73305999, -0.73595429, -0.73808272, -0.7394961600000001, -0.7402272, -0.7403421, -0.73988666, -0.73868554, -0.73719212, -0.73522829]",PBE,-0.739683142483837,3.03557521225158e-06,20.0,1.0,-0.09004761335054517,0.09004761335054517,E0,fcc,-0.7403492095,2.39048e-05,"[21.6590726725, 21.8870629111, 22.1150531498, 22.3430433884, 22.5710336271, 22.7990238658, 23.0270141044, 23.2550043431, 23.4829945817, 23.7109848204, 23.938975059]" +61,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72354179, -0.72966458, -0.73484116, -0.73915251, -0.74209866, -0.7441753, -0.74546542, -0.74605493, -0.7459940700000001, -0.74533202, -0.7446850700000001]",PBE,-0.739683142483837,3.03557521225158e-06,8.0,1.0,-0.8732007592432093,0.8732007592432093,E0,fcc,-0.7461420612999999,8.561690000000001e-05,"[21.0125343527, 21.2337189248, 21.4549034969, 21.6760880691, 21.8972726412, 22.1184572133, 22.3396417855, 22.5608263576, 22.7820109297, 23.0031955019, 23.224380074]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836661, -0.73213136, -0.73507741, -0.73725354, -0.7387136, -0.73950464, -0.73967514, -0.73926906, -0.73832494, -0.73687238, -0.73495022]",PBE,5.87616560368562,0.0100716242420079,38.0,1.0,2.399549580868546,2.399549580868546,dB,fcc,6.0171671108,0.0238041923,"[21.6401170789, 21.867907785, 22.0956984911, 22.3234891972, 22.5512799033, 22.7790706094, 23.0068613155, 23.2346520216, 23.4624427277, 23.6902334338, 23.918024139899998]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72834113, -0.73210303, -0.73504443, -0.73721757, -0.73867734, -0.73947459, -0.73965339, -0.7392534900000001, -0.7383130999999999, -0.73686473, -0.73494897]",PBE,5.87616560368562,0.0100716242420079,62.0,1.0,1.0152399496188973,1.0152399496188973,dB,fcc,5.935822784400001,0.0149628721,"[21.6346528375, 21.8623860253, 22.0901192131, 22.3178524008, 22.5455855886, 22.773318776300002, 23.0010519641, 23.2287851519, 23.4565183396, 23.6842515274, 23.9119847152]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.73018514, -0.7338102, -0.7367368400000001, -0.73889225, -0.7403416700000001, -0.74112865, -0.74128944, -0.7408750900000001, -0.73990769, -0.73844309, -0.7365082900000001]",PBE,5.87616560368562,0.0100716242420079,14.0,1.0,11.898172455301445,-11.898172455301445,dB,fcc,5.1770092864,0.2418887409,"[21.6530068869, 21.8809332752, 22.1088596635, 22.3367860518, 22.5647124401, 22.7926388283, 23.0205652166, 23.2484916049, 23.4764179932, 23.7043443815, 23.9322707698]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72697203, -0.73051287, -0.7333071, -0.73536249, -0.73672417, -0.73740308, -0.73746568, -0.73696911, -0.73595858, -0.7344662, -0.73253669]",PBE,5.87616560368562,0.0100716242420079,12.0,1.0,3.5754501657101416,3.5754501657101416,dB,fcc,6.0862649765,0.2879693077,"[21.7888563235, 22.0182127059, 22.2475690882, 22.4769254706, 22.7062818529, 22.9356382353, 23.1649946176, 23.394351, 23.6237073823, 23.8530637647, 24.082420147]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72846153, -0.73221917, -0.73515438, -0.73731866, -0.7387684, -0.73955124, -0.73971457, -0.73930199, -0.73835063, -0.73689005, -0.7349597999999999]",PBE,5.87616560368562,0.0100716242420079,40.0,1.0,2.388853937784464,2.388853937784464,dB,fcc,6.0165386171,0.0182818647,"[21.6388854087, 21.8666631499, 22.094440891, 22.3222186322, 22.5499963733, 22.7777741144, 23.0055518556, 23.2333295967, 23.4611073379, 23.688885079, 23.9166628202]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283674800000001, -0.73211654, -0.73504227, -0.73721147, -0.7386706, -0.73946903, -0.73964789, -0.73924595, -0.73830353, -0.73685165, -0.73493212]",PBE,5.87616560368562,0.0100716242420079,52.0,1.0,1.8874242808279065,-1.8874242808279065,dB,fcc,5.7652574273,0.022491703,"[21.6364169216, 21.8641686787, 22.0919204358, 22.3196721928, 22.5474239499, 22.775175707, 23.002927464, 23.2306792211, 23.4584309782, 23.6861827352, 23.9139344923]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835626, -0.73211714, -0.73505575, -0.73723233, -0.73869843, -0.73949863, -0.73967921, -0.7392820800000001, -0.73834511, -0.73690034, -0.73498621]",PBE,5.87616560368562,0.0100716242420079,60.0,1.0,0.05335514221065351,0.05335514221065351,dB,fcc,5.8793008402,0.0103549114,"[21.6348959981, 21.8626317454, 22.0903674928, 22.3181032401, 22.5458389875, 22.7735747348, 23.0013104822, 23.2290462295, 23.4567819769, 23.6845177242, 23.9122534716]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.73517812, -0.73731063, -0.73873323, -0.73949611, -0.73959998, -0.73916182, -0.73818001, -0.73669281, -0.73474354]",PBE,5.87616560368562,0.0100716242420079,26.0,1.0,3.021095435142852,3.021095435142852,dB,fcc,6.053690174500001,0.11277420460000001,"[21.6525877455, 21.8805097218, 22.1084316981, 22.3363536743, 22.5642756506, 22.7921976269, 23.0201196032, 23.2480415794, 23.4759635557, 23.703885532, 23.9318075082]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835898, -0.73212253, -0.73506457, -0.73724042, -0.7387014, -0.73949894, -0.73967658, -0.73927782, -0.7383419, -0.73689665, -0.73498248]",PBE,5.87616560368562,0.0100716242420079,54.0,1.0,1.6292795978100258,1.6292795978100258,dB,fcc,5.971904771,0.0138219501,"[21.6357561604, 21.8635009621, 22.0912457638, 22.3189905654, 22.5467353671, 22.7744801688, 23.0022249705, 23.2299697722, 23.4577145739, 23.6854593756, 23.9132041773]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.63612247, -0.6406571999999999, -0.64437846, -0.64733937, -0.6496457, -0.65130052, -0.65232905, -0.6528125100000001, -0.6527611, -0.6522089, -0.6511832]",PBE,5.87616560368562,0.0100716242420079,6.0,1.0,4.259144085875391,-4.259144085875391,dB,fcc,5.6258912439,0.11631311970000001,"[22.362788463, 22.5981862363, 22.8335840096, 23.0689817829, 23.3043795562, 23.5397773295, 23.7751751028, 24.0105728761, 24.2459706493, 24.4813684226, 24.7167661959]" +10,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7276576100000001, -0.7318119200000001, -0.73514886, -0.73771458, -0.73955699, -0.7407379, -0.74129774, -0.74127126, -0.7407103700000001, -0.73964098, -0.73810063]",PBE,5.87616560368562,0.0100716242420079,10.0,1.0,2.1605264738412266,2.1605264738412266,dB,fcc,6.0031217172,0.029239849100000007,"[21.6379365806, 21.8657043341, 22.0934720876, 22.321239841, 22.5490075945, 22.776775348, 23.0045431015, 23.232310855, 23.4600786084, 23.6878463619, 23.9156141154]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72934889, -0.73305913, -0.73595363, -0.73808226, -0.73949577, -0.74022712, -0.74034217, -0.73988688, -0.7386859, -0.73719262, -0.73522893]",PBE,5.87616560368562,0.0100716242420079,20.0,1.0,0.32538178982545546,0.32538178982545546,dB,fcc,5.8952855765,0.5962198006,"[21.6590025038, 21.8869920038, 22.1149815039, 22.3429710039, 22.5709605039, 22.798950004, 23.026939504, 23.2549290041, 23.4829185041, 23.7109080041, 23.9388975042]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72841153, -0.7321692, -0.73510083, -0.73726594, -0.73871599, -0.73949796, -0.73966239, -0.73924725, -0.73829378, -0.73684121, -0.73491723]",PBE,5.87616560368562,0.0100716242420079,46.0,1.0,3.4618372427555513,3.4618372427555513,dB,fcc,6.079588893,0.0154260291,"[21.6372973534, 21.8650583782, 22.092819403, 22.3205804278, 22.5483414525, 22.7761024773, 23.0038635021, 23.2316245269, 23.4593855516, 23.6871465764, 23.9149076012]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283394999999999, -0.73210022, -0.73504201, -0.73721866, -0.73868308, -0.73948284, -0.73966117, -0.73926262, -0.7383240600000001, -0.73687645, -0.73495975]",PBE,5.87616560368562,0.0100716242420079,58.0,1.0,0.2249168489412587,0.2249168489412587,dB,fcc,5.8893820902,0.0107394426,"[21.6351955506, 21.8629344511, 22.0906733516, 22.3184122522, 22.5461511527, 22.7738900532, 23.0016289538, 23.2293678543, 23.4571067548, 23.6848456554, 23.9125845559]" +14,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836937, -0.73212982, -0.7350678900000001, -0.73723975, -0.73869979, -0.73949499, -0.7396697600000001, -0.73926472, -0.7383193100000001, -0.73687049, -0.73495373]",PBE,5.87616560368562,0.0100716242420079,48.0,1.0,1.32901632087084,1.32901632087084,dB,fcc,5.9542608036,0.0165934123,"[21.6368488027, 21.8646051058, 22.092361409, 22.3201177122, 22.5478740154, 22.7756303186, 23.0033866218, 23.231142925, 23.4588992281, 23.6866555313, 23.9144118345]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835882, -0.73206496, -0.73496101, -0.73709771, -0.73853357, -0.73931499, -0.73948603, -0.73907742, -0.73808527, -0.7365866600000001, -0.73462457]",PBE,5.87616560368562,0.0100716242420079,22.0,1.0,11.662512049622704,-11.662512049622704,dB,fcc,5.1908570821,0.12154616230000001,"[21.6739451118, 21.9020919025, 22.1302386931, 22.3583854838, 22.5865322744, 22.8146790651, 23.0428258557, 23.2709726464, 23.499119437, 23.7272662277, 23.9554130183]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7301815500000001, -0.73380699, -0.73673491, -0.73889089, -0.74034085, -0.74112833, -0.7412895700000001, -0.74087566, -0.73990868, -0.73844447, -0.73651035]",PBE,5.87616560368562,0.0100716242420079,14.0,1.0,11.84632665643408,-11.84632665643408,dB,fcc,5.1800558314,0.2437365429,"[21.6528238974, 21.8807483595, 22.1086728216, 22.3365972836, 22.5645217457, 22.7924462078, 23.0203706699, 23.2482951319, 23.476219594, 23.7041440561, 23.9320685182]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72835871, -0.73212865, -0.7350781200000001, -0.73725696, -0.73872112, -0.73951908, -0.73969504, -0.73928944, -0.73834518, -0.7368931, -0.73497516]",PBE,5.87616560368562,0.0100716242420079,50.0,1.0,1.8066418422209487,1.8066418422209487,dB,fcc,5.9823268702,0.0209318892,"[21.634777834, 21.8625123375, 22.090246841, 22.3179813445, 22.545715848, 22.7734503516, 23.0011848551, 23.2289193586, 23.4566538621, 23.6843883656, 23.9121228691]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72886682, -0.73256133, -0.73544547, -0.7375693, -0.73898547, -0.7397406999999999, -0.73987212, -0.7394129500000001, -0.73841203, -0.73690577, -0.7349241400000001]",PBE,5.87616560368562,0.0100716242420079,24.0,1.0,4.728172800496928,-4.728172800496928,dB,fcc,5.5983303399,0.0469802105,"[21.6612564934, 21.8892697196, 22.1172829459, 22.3452961721, 22.5733093983, 22.8013226246, 23.0293358508, 23.2573490771, 23.4853623033, 23.7133755296, 23.9413887558]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7179055, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743157, -0.72796039, -0.72780822, -0.7270415100000001, -0.7256941100000001, -0.7238291, -0.72148506]",PBE,5.87616560368562,0.0100716242420079,4.0,1.0,8.777324130588166,-8.777324130588166,dB,fcc,5.3603955022,0.2300668436,"[22.0443976688, 22.27644396, 22.5084902513, 22.7405365425, 22.9725828338, 23.204629125, 23.4366754163, 23.6687217075, 23.9007679988, 24.13281429, 24.3648605813]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351555, -0.73733696, -0.73879015, -0.7395701, -0.73972623, -0.7393082400000001, -0.73834373, -0.73687748, -0.73494392]",PBE,5.87616560368562,0.0100716242420079,34.0,1.0,1.818877184934049,1.818877184934049,dB,fcc,5.9830458392,0.07055925519999999,"[21.6428337027, 21.8706530048, 22.098472307, 22.3262916091, 22.5541109112, 22.7819302134, 23.0097495155, 23.2375688176, 23.4653881198, 23.6932074219, 23.921026724]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72697004, -0.73051086, -0.73330588, -0.73536163, -0.73672362, -0.73740286, -0.73746577, -0.7369695900000001, -0.73595929, -0.73446742, -0.7325378100000001]",PBE,5.87616560368562,0.0100716242420079,12.0,1.0,3.5452402002373105,3.5452402002373105,dB,fcc,6.0844897889,0.2883759375,"[21.7887253051, 22.0180803083, 22.2474353115, 22.4767903147, 22.7061453179, 22.9355003211, 23.1648553243, 23.3942103276, 23.623565330799998, 23.852920334, 24.0822753372]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836502, -0.7321305100000001, -0.73507677, -0.7372528500000001, -0.73871332, -0.73950453, -0.7396752, -0.73926926, -0.73832497, -0.73687286, -0.73495083]",PBE,5.87616560368562,0.0100716242420079,38.0,1.0,2.453251117088378,2.453251117088378,dB,fcc,6.0203227020000005,0.0223797288,"[21.6400540435, 21.867844086, 22.0956341286, 22.3234241712, 22.5512142137, 22.7790042563, 23.0067942988, 23.2345843414, 23.462374384, 23.6901644265, 23.9179544691]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.73950115, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,5.87616560368562,0.0100716242420079,56.0,1.0,0.5537061769323324,0.5537061769323324,dB,fcc,5.9087022956,0.0285933438,"[21.6351869748, 21.862925785, 22.0906645953, 22.3184034055, 22.5461422158, 22.7738810261, 23.0016198363, 23.2293586466, 23.4570974569, 23.6848362671, 23.9125750774]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72866381, -0.73239873, -0.73531353, -0.73746586, -0.73890043, -0.73966349, -0.73980778, -0.73937997, -0.73839835, -0.73691417, -0.73495228]",PBE,5.87616560368562,0.0100716242420079,30.0,1.0,0.3550383156753581,-0.3550383156753581,dB,fcc,5.8553029643,0.0322683213,"[21.6450578834, 21.8729005979, 22.1007433125, 22.3285860271, 22.5564287416, 22.7842714562, 23.0121141707, 23.2399568853, 23.4677995999, 23.6956423144, 23.923485029]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283409, -0.73210646, -0.73505198, -0.7372292500000001, -0.73869147, -0.73948879, -0.73966769, -0.73926939, -0.73833127, -0.73688535, -0.73496849]",PBE,5.87616560368562,0.0100716242420079,66.0,1.0,1.448644435088571,1.448644435088571,dB,fcc,5.9612903497000005,0.0151184712,"[21.6340689893, 21.8617960313, 22.0895230732, 22.3172501152, 22.5449771572, 22.7727041992, 23.0004312412, 23.2281582832, 23.4558853252, 23.6836123672, 23.9113394092]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833972, -0.73210268, -0.7350454, -0.73722401, -0.73869026, -0.73949126, -0.73967176, -0.7392741700000001, -0.73833747, -0.7368940900000001, -0.7349796]",PBE,5.87616560368562,0.0100716242420079,64.0,1.0,0.5199713907861311,0.5199713907861311,dB,fcc,5.9067199837,0.0088493704,"[21.6344592038, 21.8621903533, 22.0899215028, 22.3176526523, 22.5453838018, 22.7731149513, 23.0008461008, 23.2285772503, 23.4563083999, 23.6840395494, 23.9117706989]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72765762, -0.73181145, -0.73514886, -0.7377142999999999, -0.739557, -0.7407378, -0.74129775, -0.74127127, -0.74071038, -0.73964099, -0.73810064]",PBE,5.87616560368562,0.0100716242420079,10.0,1.0,2.126699876123271,2.126699876123271,dB,fcc,6.0011340103,0.0300427792,"[21.6379284893, 21.8656961576, 22.0934638259, 22.3212314942, 22.5489991625, 22.7767668308, 23.0045344992, 23.2323021675, 23.4600698358, 23.6878375041, 23.9156051724]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836831, -0.73212897, -0.73506724, -0.73723929, -0.73869965, -0.73949488, -0.73966979, -0.73926492, -0.73831963, -0.73687097, -0.73495434]",PBE,5.87616560368562,0.0100716242420079,48.0,1.0,1.336105632644816,1.336105632644816,dB,fcc,5.954677383300001,0.0166626396,"[21.6367928678, 21.8645485822, 22.0923042966, 22.320060011, 22.5478157253, 22.7755714397, 23.0033271541, 23.2310828685, 23.4588385829, 23.6865942973, 23.9143500117]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72869661, -0.73234432, -0.7351933700000001, -0.73729186, -0.73869145, -0.73943871, -0.7395774700000001, -0.7391534, -0.73819642, -0.73672971, -0.73472512]",PBE,5.87616560368562,0.0100716242420079,18.0,1.0,9.659203429011914,-9.659203429011914,dB,fcc,5.3085748142,0.1895318674,"[21.6877066772, 21.9159983264, 22.1442899756, 22.3725816249, 22.6008732741, 22.8291649233, 23.0574565726, 23.2857482218, 23.514039871, 23.7423315203, 23.9706231695]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72790685, -0.73160526, -0.73447074, -0.7365684, -0.73796664, -0.73871793, -0.73885132, -0.73841891, -0.73745925, -0.73602798, -0.73408885]",PBE,5.87616560368562,0.0100716242420079,16.0,1.0,6.289485180311692,6.289485180311692,dB,fcc,6.2457461685,0.1150193801,"[21.7123545153, 21.9409056155, 22.1694567156, 22.3980078158, 22.6265589159, 22.8551100161, 23.0836611163, 23.3122122164, 23.5407633166, 23.7693144167, 23.9978655169]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284630999999999, -0.73219794, -0.7351160800000001, -0.73727077, -0.73871074, -0.73948332, -0.7396208, -0.73918808, -0.73821508, -0.73674622, -0.73481661]",PBE,5.87616560368562,0.0100716242420079,28.0,1.0,3.7713655819261205,3.7713655819261205,dB,fcc,6.097777290800001,0.08901488519999999,"[21.6523258339, 21.8802450532, 22.1081642725, 22.3360834918, 22.5640027111, 22.7919219304, 23.0198411497, 23.247760369, 23.4756795883, 23.7035988076, 23.9315180269]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838269, -0.73214785, -0.73509275, -0.73726746, -0.73872769, -0.73952204, -0.73969417, -0.73928527, -0.73833774, -0.73688245, -0.7349618800000001]",PBE,5.87616560368562,0.0100716242420079,50.0,1.0,1.8034208370150975,1.8034208370150975,dB,fcc,5.9821375986000005,0.021868001600000003,"[21.6360722486, 21.8638203775, 22.0915685064, 22.3193166354, 22.5470647643, 22.7748128932, 23.0025610222, 23.2303091511, 23.45805728, 23.685805409, 23.9135535379]" +33,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283234, -0.7320863999999999, -0.73503142, -0.73721192, -0.73867945, -0.73948137, -0.73966157, -0.73926254, -0.73832429, -0.73687904, -0.73496522]",PBE,5.87616560368562,0.0100716242420079,68.0,1.0,0.42571889734847046,0.42571889734847046,dB,fcc,5.9011815511000005,0.0204535989,"[21.6340694232, 21.8617964698, 22.0895235164, 22.3172505629, 22.544977609500002, 22.772704656, 23.0004317026, 23.2281587492, 23.4558857957, 23.6836128423, 23.9113398888]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283577999999999, -0.73206414, -0.73496039, -0.7370975, -0.73853331, -0.7393148900000001, -0.7394858400000001, -0.73907764, -0.73808564, -0.73658715, -0.73462519]",PBE,5.87616560368562,0.0100716242420079,22.0,1.0,11.634961199132984,-11.634961199132984,dB,fcc,5.1924760157,0.1213718449,"[21.6738871906, 21.9020333715, 22.1301795525, 22.3583257334, 22.5864719144, 22.8146180953, 23.0427642763, 23.2709104572, 23.4990566382, 23.7272028191, 23.9553490001]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283674800000001, -0.73211611, -0.73504227, -0.73721147, -0.73867046, -0.73946903, -0.73964789, -0.73924595, -0.7383037, -0.73685165, -0.73493242]",PBE,5.87616560368562,0.0100716242420079,52.0,1.0,1.8872329264523016,-1.8872329264523016,dB,fcc,5.7652686716,0.022068519100000003,"[21.63640931, 21.8641609869, 22.0919126639, 22.3196643408, 22.5474160177, 22.7751676947, 23.0029193716, 23.2306710486, 23.4584227255, 23.6861744025, 23.9139260794]" +36,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284636, -0.73219837, -0.7351164, -0.7372709900000001, -0.7387108800000001, -0.73948338, -0.73962077, -0.73918797, -0.7382149100000001, -0.73674598, -0.7348163]",PBE,5.87616560368562,0.0100716242420079,28.0,1.0,3.7737858098364843,3.7737858098364843,dB,fcc,6.0979195074,0.0889788192,"[21.6523557411, 21.8802752753, 22.1081948094, 22.3361143435, 22.5640338776, 22.7919534117, 23.0198729458, 23.24779248, 23.4757120141, 23.7036315482, 23.9315510823]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.71790551, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743167, -0.72796039, -0.7278083200000001, -0.7270416, -0.72569424, -0.72382924, -0.72148522]",PBE,5.87616560368562,0.0100716242420079,4.0,1.0,8.781071914685036,-8.781071914685036,dB,fcc,5.3601752762,0.2300497871,"[22.0444049879, 22.2764513562, 22.5084977245, 22.7405440928, 22.9725904611, 23.2046368294, 23.4366831976, 23.6687295659, 23.9007759342, 24.1328223025, 24.3648686708]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7286955700000001, -0.73234349, -0.7351927500000001, -0.73729143, -0.73869119, -0.73943862, -0.73957754, -0.7391536200000001, -0.73819679, -0.7367301900000001, -0.73472578]",PBE,5.87616560368562,0.0100716242420079,18.0,1.0,9.655253332713496,-9.655253332713496,dB,fcc,5.3088069284,0.1894196426,"[21.687650699, 21.915941759, 22.144232819, 22.372523879, 22.600814939, 22.829105999, 23.0573970589, 23.2856881189, 23.5139791789, 23.7422702389, 23.9705612989]" +39,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.63612248, -0.64065722, -0.64437848, -0.64733939, -0.64964572, -0.65130054, -0.6523290700000001, -0.65281254, -0.65276087, -0.65220893, -0.6511832200000001]",PBE,5.87616560368562,0.0100716242420079,6.0,1.0,4.242833059865527,-4.242833059865527,dB,fcc,5.6268497068,0.1161414128,"[22.3627926257, 22.5981904428, 22.8335882599, 23.068986077, 23.3043838941, 23.5397817112, 23.7751795283, 24.0105773454, 24.2459751626, 24.4813729797, 24.7167707968]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284109999999999, -0.73216835, -0.73510051, -0.73726549, -0.7387158500000001, -0.7394978600000001, -0.73966219, -0.73924736, -0.73829413, -0.7368414600000001, -0.73491784]",PBE,5.87616560368562,0.0100716242420079,46.0,1.0,3.4631398524020804,3.4631398524020804,dB,fcc,6.0796654365,0.0155161218,"[21.6372614995, 21.8650221469, 22.0927827942, 22.3205434416, 22.5483040889, 22.7760647363, 23.0038253837, 23.231586031, 23.4593466784, 23.6871073258, 23.9148679731]" +41,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72833357, -0.73209555, -0.7350384400000001, -0.73721603, -0.7386815, -0.73948186, -0.73966137, -0.73926357, -0.73832589, -0.73687903, -0.73496332]",PBE,5.87616560368562,0.0100716242420079,58.0,1.0,0.26859246622458016,0.26859246622458016,dB,fcc,5.8919485418,0.0106473415,"[21.6348766565, 21.8626122003, 22.090347744, 22.3180832878, 22.5458188315, 22.7735543753, 23.0012899191, 23.2290254628, 23.4567610066, 23.6844965503, 23.9122320941]" +42,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351558300000001, -0.73733696, -0.73879015, -0.73957016, -0.73972623, -0.7393082400000001, -0.7383435500000001, -0.73687724, -0.73494392]",PBE,5.87616560368562,0.0100716242420079,34.0,1.0,1.8566642513606273,1.8566642513606273,dB,fcc,5.9852662698,0.0699885428,"[21.6428424896, 21.8706618842, 22.0984812788, 22.3263006735, 22.5541200681, 22.7819394627, 23.0097588574, 23.237578252, 23.4653976466, 23.6932170412, 23.9210364359]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839389, -0.73214785, -0.7350882400000001, -0.73726145, -0.73871515, -0.73950512, -0.73968267, -0.73928069, -0.73833919, -0.7368884, -0.73496678]",PBE,5.87616560368562,0.0100716242420079,44.0,1.0,0.9777616627813229,0.9777616627813229,dB,fcc,5.933620498200001,0.0349474942,"[21.6381933175, 21.8659637735, 22.0937342294, 22.3215046854, 22.5492751414, 22.7770455974, 23.0048160533, 23.2325865093, 23.4603569653, 23.6881274212, 23.9158978772]" +44,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72354093, -0.7296638400000001, -0.73484053, -0.73915199, -0.74209833, -0.74417485, -0.7454652900000001, -0.74605487, -0.74599411, -0.74533207, -0.74468523]",PBE,5.87616560368562,0.0100716242420079,8.0,1.0,91.07770317701056,91.07770317701056,dB,fcc,11.2280422704,1.5652659796,"[21.0124991027, 21.2336833038, 21.4548675049, 21.676051706, 21.897235907, 22.1184201081, 22.3396043092, 22.5607885103, 22.7819727114, 23.0031569124, 23.2243411135]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72850761, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920778, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,5.87616560368562,0.0100716242420079,36.0,1.0,6.806621635433728,6.806621635433728,dB,fcc,6.276133963,0.0751777347,"[21.6410867787, 21.8688876921, 22.0966886056, 22.324489519, 22.5522904325, 22.780091346, 23.0078922594, 23.2356931729, 23.4634940863, 23.6912949998, 23.9190959133]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72838353, -0.73213333, -0.7350650400000001, -0.73723337, -0.7386872, -0.73947408, -0.73964275, -0.7392337, -0.73828366, -0.73682817, -0.73490579]",PBE,5.87616560368562,0.0100716242420079,42.0,1.0,1.0395401905635016,1.0395401905635016,dB,fcc,5.9372507068,0.0214421629,"[21.6389167199, 21.8666947907, 22.0944728614, 22.3222509321, 22.5500290029, 22.777807073600002, 23.0055851443, 23.2333632151, 23.4611412858, 23.6889193566, 23.9166974273]" +47,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833087, -0.73209647, -0.73504318, -0.73722391, -0.73869183, -0.73949489, -0.73967746, -0.73928101, -0.73834496, -0.73689972, -0.73498476]",PBE,5.87616560368562,0.0100716242420079,70.0,1.0,0.18043753238897944,0.18043753238897944,dB,fcc,5.8867684119,0.0092653333,"[21.6338645246, 21.8615894143, 22.089314304, 22.3170391938, 22.5447640835, 22.7724889732, 23.000213863, 23.2279387527, 23.4556636424, 23.6833885322, 23.9111134219]" +48,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72886731, -0.73256175, -0.73544579, -0.73756952, -0.7389856, -0.7397407500000001, -0.73987209, -0.7394128600000001, -0.73841187, -0.73690553, -0.7349238300000001]",PBE,5.87616560368562,0.0100716242420079,24.0,1.0,4.727483975458126,-4.727483975458126,dB,fcc,5.5983708164,0.046899271000000006,"[21.6612864907, 21.8893000327, 22.1173135747, 22.3453271167, 22.5733406587, 22.8013542007, 23.0293677427, 23.2573812847, 23.4853948267, 23.7134083687, 23.9414219107]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72850708, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920788, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,5.87616560368562,0.0100716242420079,36.0,1.0,6.849884512477307,6.849884512477307,dB,fcc,6.2786761613,0.0750842366,"[21.6410795565, 21.868880394, 22.0966812314, 22.3244820689, 22.5522829063, 22.7800837437, 23.0078845812, 23.2356854186, 23.463486256, 23.6912870935, 23.9190879309]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.7395012, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,5.87616560368562,0.0100716242420079,56.0,1.0,0.5531347668961876,0.5531347668961876,dB,fcc,5.9086687186,0.0286454473,"[21.6351945772, 21.8629334675, 22.0906723578, 22.3184112481, 22.5461501383, 22.7738890286, 23.0016279189, 23.2293668092, 23.4571056995, 23.6848445898, 23.9125834801]" +51,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836005, -0.73212338, -0.73506489, -0.73724108, -0.73870168, -0.73949919, -0.73967655, -0.73927774, -0.7383415600000001, -0.73689617, -0.73498187]",PBE,5.87616560368562,0.0100716242420079,54.0,1.0,1.6059901809981205,1.6059901809981205,dB,fcc,5.9705362463,0.0138663721,"[21.6358132886, 21.8635586916, 22.0913040947, 22.3190494977, 22.5467949007, 22.7745403038, 23.0022857068, 23.2300311099, 23.4577765129, 23.6855219159, 23.913267319]" +52,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72864217, -0.73238074, -0.73529975, -0.7374558800000001, -0.73889406, -0.73966139, -0.7398089800000001, -0.73938364, -0.73840562, -0.73692377, -0.73496561]",PBE,5.87616560368562,0.0100716242420079,30.0,1.0,0.39482175878549736,-0.39482175878549736,dB,fcc,5.8529652233,0.0295839536,"[21.6438534256, 21.8716834617, 22.0995134977, 22.3273435338, 22.5551735699, 22.7830036059, 23.010833642, 23.238663678, 23.4664937141, 23.6943237502, 23.9221537862]" +53,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.7351778, -0.7373103999999999, -0.73873309, -0.73949611, -0.73960001, -0.73916193, -0.73818019, -0.73669305, -0.73474385]",PBE,5.87616560368562,0.0100716242420079,26.0,1.0,2.981850720893235,2.981850720893235,dB,fcc,6.0513840901,0.1129375559,"[21.6525692767, 21.8804910586, 22.1084128405, 22.3363346223, 22.564256404200002, 22.792178186, 23.0200999679, 23.2480217498, 23.4759435316, 23.7038653135, 23.9317870954]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839921, -0.73215719, -0.73509236, -0.73726141, -0.73871002, -0.73949254, -0.73965715, -0.73924647, -0.7382883100000001, -0.7368245800000001, -0.73489088]",PBE,5.87616560368562,0.0100716242420079,32.0,1.0,1.5290013977486616,1.5290013977486616,dB,fcc,5.966012257899999,0.024546709,"[21.6451731927, 21.873017121, 22.1008610494, 22.3287049777, 22.5565489061, 22.7843928344, 23.0122367628, 23.2400806911, 23.4679246194, 23.6957685478, 23.9236124761]" +55,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72845782, -0.7322162, -0.73515212, -0.73731686, -0.73876743, -0.73955087, -0.73971475, -0.73930217, -0.73835185, -0.73689174, -0.73496163]",PBE,5.87616560368562,0.0100716242420079,40.0,1.0,2.3837387602984617,2.3837387602984617,dB,fcc,6.0162380408,0.0187191622,"[21.6386881501, 21.8664638149, 22.0942394796, 22.3220151443, 22.5497908091, 22.7775664738, 23.0053421386, 23.2331178033, 23.460893468, 23.6886691328, 23.9164447975]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839758, -0.73215591, -0.73509139, -0.73726073, -0.7387096, -0.73949244, -0.73965723, -0.73924668, -0.73828808, -0.73682507, -0.7348918]",PBE,5.87616560368562,0.0100716242420079,32.0,1.0,1.588203653686071,1.588203653686071,dB,fcc,5.969491080499999,0.0239008791,"[21.6451001867, 21.8729433465, 22.1007865064, 22.3286296663, 22.5564728261, 22.784315986, 23.0121591458, 23.2400023057, 23.4678454656, 23.6956886254, 23.9235317853]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838248, -0.73213248, -0.73506439, -0.7372331400000001, -0.73868692, -0.73947397, -0.73964278, -0.7392339, -0.73828401, -0.73682865, -0.7349064]",PBE,5.87616560368562,0.0100716242420079,42.0,1.0,1.0551246849730096,1.0551246849730096,dB,fcc,5.9381664775,0.0217085004,"[21.6388660354, 21.8666435726, 22.0944211098, 22.322198647, 22.5499761842, 22.7777537215, 23.0055312587, 23.2333087959, 23.4610863331, 23.6888638703, 23.9166414075]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839336, -0.73214743, -0.7350879100000001, -0.73726122, -0.7387150100000001, -0.73950501, -0.7396826999999999, -0.73928079, -0.73833936, -0.73688864, -0.73496709]",PBE,5.87616560368562,0.0100716242420079,44.0,1.0,0.9783031128041216,0.9783031128041216,dB,fcc,5.9336523147000015,0.0350626209,"[21.6381592136, 21.8659293106, 22.0936994076, 22.3214695045, 22.5492396015, 22.7770096985, 23.0047797955, 23.2325498925, 23.4603199895, 23.6880900865, 23.9158601834]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72790792, -0.7316060999999999, -0.7344710600000001, -0.7365686300000001, -0.73796677, -0.73871803, -0.73885126, -0.7384187, -0.73745889, -0.73602773, -0.73408852]",PBE,5.87616560368562,0.0100716242420079,16.0,1.0,6.268304534905446,6.268304534905446,dB,fcc,6.2445015587,0.1151859092,"[21.7124061084, 21.9409577516, 22.1695093949, 22.3980610381, 22.6266126814, 22.8551643246, 23.0837159679, 23.3122676111, 23.5408192543, 23.769370897599998, 23.9979225408]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72934997, -0.73305999, -0.73595429, -0.73808272, -0.7394961600000001, -0.7402272, -0.7403421, -0.73988666, -0.73868554, -0.73719212, -0.73522829]",PBE,5.87616560368562,0.0100716242420079,20.0,1.0,0.328964091860439,0.328964091860439,dB,fcc,5.8954960785,0.5962047531,"[21.6590726725, 21.8870629111, 22.1150531498, 22.3430433884, 22.5710336271, 22.7990238658, 23.0270141044, 23.2550043431, 23.4829945817, 23.7109848204, 23.938975059]" +61,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72354179, -0.72966458, -0.73484116, -0.73915251, -0.74209866, -0.7441753, -0.74546542, -0.74605493, -0.7459940700000001, -0.74533202, -0.7446850700000001]",PBE,5.87616560368562,0.0100716242420079,8.0,1.0,91.08285730506663,91.08285730506663,dB,fcc,11.2283451355,1.5652652339,"[21.0125343527, 21.2337189248, 21.4549034969, 21.6760880691, 21.8972726412, 22.1184572133, 22.3396417855, 22.5608263576, 22.7820109297, 23.0031955019, 23.224380074]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836661, -0.73213136, -0.73507741, -0.73725354, -0.7387136, -0.73950464, -0.73967514, -0.73926906, -0.73832494, -0.73687238, -0.73495022]",PBE,22.9559314406185,0.000248259030911151,38.0,1.0,0.011161331388931703,0.011161331388931703,v0,fcc,22.958493628200003,0.0001616417,"[21.6401170789, 21.867907785, 22.0956984911, 22.3234891972, 22.5512799033, 22.7790706094, 23.0068613155, 23.2346520216, 23.4624427277, 23.6902334338, 23.918024139899998]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72834113, -0.73210303, -0.73504443, -0.73721757, -0.73867734, -0.73947459, -0.73965339, -0.7392534900000001, -0.7383130999999999, -0.73686473, -0.73494897]",PBE,22.9559314406185,0.000248259030911151,62.0,1.0,0.004933014029195795,-0.004933014029195795,v0,fcc,22.9547990213,0.0001014382,"[21.6346528375, 21.8623860253, 22.0901192131, 22.3178524008, 22.5455855886, 22.773318776300002, 23.0010519641, 23.2287851519, 23.4565183396, 23.6842515274, 23.9119847152]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72846153, -0.73221917, -0.73515438, -0.73731866, -0.7387684, -0.73955124, -0.73971457, -0.73930199, -0.73835063, -0.73689005, -0.7349597999999999]",PBE,22.9559314406185,0.000248259030911151,40.0,1.0,0.008227704998097296,-0.008227704998097296,v0,fcc,22.9540426943,0.0001244121,"[21.6388854087, 21.8666631499, 22.094440891, 22.3222186322, 22.5499963733, 22.7777741144, 23.0055518556, 23.2333295967, 23.4611073379, 23.688885079, 23.9166628202]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.73018514, -0.7338102, -0.7367368400000001, -0.73889225, -0.7403416700000001, -0.74112865, -0.74128944, -0.7408750900000001, -0.73990769, -0.73844309, -0.7365082900000001]",PBE,22.9559314406185,0.000248259030911151,14.0,1.0,0.0683038635224148,0.0683038635224148,v0,fcc,22.9716112287,0.0016463032,"[21.6530068869, 21.8809332752, 22.1088596635, 22.3367860518, 22.5647124401, 22.7926388283, 23.0205652166, 23.2484916049, 23.4764179932, 23.7043443815, 23.9322707698]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72697203, -0.73051287, -0.7333071, -0.73536249, -0.73672417, -0.73740308, -0.73746568, -0.73696911, -0.73595858, -0.7344662, -0.73253669]",PBE,22.9559314406185,0.000248259030911151,12.0,1.0,0.5485316085179401,0.5485316085179401,v0,fcc,23.0818519806,0.0020141639,"[21.7888563235, 22.0182127059, 22.2475690882, 22.4769254706, 22.7062818529, 22.9356382353, 23.1649946176, 23.394351, 23.6237073823, 23.8530637647, 24.082420147]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283674800000001, -0.73211654, -0.73504227, -0.73721147, -0.7386706, -0.73946903, -0.73964789, -0.73924595, -0.73830353, -0.73685165, -0.73493212]",PBE,22.9559314406185,0.000248259030911151,52.0,1.0,0.003760596182893669,0.003760596182893669,v0,fcc,22.956794720500003,0.0001525204,"[21.6364169216, 21.8641686787, 22.0919204358, 22.3196721928, 22.5474239499, 22.775175707, 23.002927464, 23.2306792211, 23.4584309782, 23.6861827352, 23.9139344923]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835626, -0.73211714, -0.73505575, -0.73723233, -0.73869843, -0.73949863, -0.73967921, -0.7392820800000001, -0.73834511, -0.73690034, -0.73498621]",PBE,22.9559314406185,0.000248259030911151,60.0,1.0,0.0025509423698012322,0.0025509423698012322,v0,fcc,22.9565170332,7.01346e-05,"[21.6348959981, 21.8626317454, 22.0903674928, 22.3181032401, 22.5458389875, 22.7735747348, 23.0013104822, 23.2290462295, 23.4567819769, 23.6845177242, 23.9122534716]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.73517812, -0.73731063, -0.73873323, -0.73949611, -0.73959998, -0.73916182, -0.73818001, -0.73669281, -0.73474354]",PBE,22.9559314406185,0.000248259030911151,26.0,1.0,0.0010091495616405878,0.0010091495616405878,v0,fcc,22.956163100300003,0.0007745101,"[21.6525877455, 21.8805097218, 22.1084316981, 22.3363536743, 22.5642756506, 22.7921976269, 23.0201196032, 23.2480415794, 23.4759635557, 23.703885532, 23.9318075082]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835898, -0.73212253, -0.73506457, -0.73724042, -0.7387014, -0.73949894, -0.73967658, -0.73927782, -0.7383419, -0.73689665, -0.73498248]",PBE,22.9559314406185,0.000248259030911151,54.0,1.0,0.00195552109335952,0.00195552109335952,v0,fcc,22.956380348699998,9.36747e-05,"[21.6357561604, 21.8635009621, 22.0912457638, 22.3189905654, 22.5467353671, 22.7744801688, 23.0022249705, 23.2299697722, 23.4577145739, 23.6854593756, 23.9132041773]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.63612247, -0.6406571999999999, -0.64437846, -0.64733937, -0.6496457, -0.65130052, -0.65232905, -0.6528125100000001, -0.6527611, -0.6522089, -0.6511832]",PBE,22.9559314406185,0.000248259030911151,6.0,1.0,4.995562946979256,4.995562946979256,v0,fcc,24.1027094458,0.0008080763,"[22.362788463, 22.5981862363, 22.8335840096, 23.0689817829, 23.3043795562, 23.5397773295, 23.7751751028, 24.0105728761, 24.2459706493, 24.4813684226, 24.7167661959]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72934889, -0.73305913, -0.73595363, -0.73808226, -0.73949577, -0.74022712, -0.74034217, -0.73988688, -0.7386859, -0.73719262, -0.73522893]",PBE,22.9559314406185,0.000248259030911151,20.0,1.0,0.03364807495823254,-0.03364807495823254,v0,fcc,22.9482072116,0.0041366298,"[21.6590025038, 21.8869920038, 22.1149815039, 22.3429710039, 22.5709605039, 22.798950004, 23.026939504, 23.2549290041, 23.4829185041, 23.7109080041, 23.9388975042]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7276576100000001, -0.7318119200000001, -0.73514886, -0.73771458, -0.73955699, -0.7407379, -0.74129774, -0.74127126, -0.7407103700000001, -0.73964098, -0.73810063]",PBE,22.9559314406185,0.000248259030911151,10.0,1.0,0.6658864493340725,0.6658864493340725,v0,fcc,23.108791877399998,0.0001763102,"[21.6379365806, 21.8657043341, 22.0934720876, 22.321239841, 22.5490075945, 22.776775348, 23.0045431015, 23.232310855, 23.4600786084, 23.6878463619, 23.9156141154]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72841153, -0.7321692, -0.73510083, -0.73726594, -0.73871599, -0.73949796, -0.73966239, -0.73924725, -0.73829378, -0.73684121, -0.73491723]",PBE,22.9559314406185,0.000248259030911151,46.0,1.0,0.015816250923615913,-0.015816250923615913,v0,fcc,22.952300672899998,0.0001049655,"[21.6372973534, 21.8650583782, 22.092819403, 22.3205804278, 22.5483414525, 22.7761024773, 23.0038635021, 23.2316245269, 23.4593855516, 23.6871465764, 23.9149076012]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283394999999999, -0.73210022, -0.73504201, -0.73721866, -0.73868308, -0.73948284, -0.73966117, -0.73926262, -0.7383240600000001, -0.73687645, -0.73495975]",PBE,22.9559314406185,0.000248259030911151,58.0,1.0,0.0011749751135110217,0.0011749751135110217,v0,fcc,22.9562011671,7.27691e-05,"[21.6351955506, 21.8629344511, 22.0906733516, 22.3184122522, 22.5461511527, 22.7738900532, 23.0016289538, 23.2293678543, 23.4571067548, 23.6848456554, 23.9125845559]" +14,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836937, -0.73212982, -0.7350678900000001, -0.73723975, -0.73869979, -0.73949499, -0.7396697600000001, -0.73926472, -0.7383193100000001, -0.73687049, -0.73495373]",PBE,22.9559314406185,0.000248259030911151,48.0,1.0,6.487073522009152e-05,6.487073522009152e-05,v0,fcc,22.9559463323,0.00011259780000000001,"[21.6368488027, 21.8646051058, 22.092361409, 22.3201177122, 22.5478740154, 22.7756303186, 23.0033866218, 23.231142925, 23.4588992281, 23.6866555313, 23.9144118345]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72835882, -0.73206496, -0.73496101, -0.73709771, -0.73853357, -0.73931499, -0.73948603, -0.73907742, -0.73808527, -0.7365866600000001, -0.73462457]",PBE,22.9559314406185,0.000248259030911151,22.0,1.0,0.14597656979497428,0.14597656979497428,v0,fcc,22.9894417219,0.0008306091,"[21.6739451118, 21.9020919025, 22.1302386931, 22.3583854838, 22.5865322744, 22.8146790651, 23.0428258557, 23.2709726464, 23.499119437, 23.7272662277, 23.9554130183]" +16,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7301815500000001, -0.73380699, -0.73673491, -0.73889089, -0.74034085, -0.74112833, -0.7412895700000001, -0.74087566, -0.73990868, -0.73844447, -0.73651035]",PBE,22.9559314406185,0.000248259030911151,14.0,1.0,0.06823385634349022,0.06823385634349022,v0,fcc,22.9715951579,0.0016586187,"[21.6528238974, 21.8807483595, 22.1086728216, 22.3365972836, 22.5645217457, 22.7924462078, 23.0203706699, 23.2482951319, 23.476219594, 23.7041440561, 23.9320685182]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72835871, -0.73212865, -0.7350781200000001, -0.73725696, -0.73872112, -0.73951908, -0.73969504, -0.73928944, -0.73834518, -0.7368931, -0.73497516]",PBE,22.9559314406185,0.000248259030911151,50.0,1.0,0.0077888057956895015,-0.0077888057956895015,v0,fcc,22.954143447699998,0.0001419779,"[21.634777834, 21.8625123375, 22.090246841, 22.3179813445, 22.545715848, 22.7734503516, 23.0011848551, 23.2289193586, 23.4566538621, 23.6843883656, 23.9121228691]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72886682, -0.73256133, -0.73544547, -0.7375693, -0.73898547, -0.7397406999999999, -0.73987212, -0.7394129500000001, -0.73841203, -0.73690577, -0.7349241400000001]",PBE,22.9559314406185,0.000248259030911151,24.0,1.0,0.03613659677875202,0.03613659677875202,v0,fcc,22.964226933000003,0.0003232623,"[21.6612564934, 21.8892697196, 22.1172829459, 22.3452961721, 22.5733093983, 22.8013226246, 23.0293358508, 23.2573490771, 23.4853623033, 23.7133755296, 23.9413887558]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7179055, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743157, -0.72796039, -0.72780822, -0.7270415100000001, -0.7256941100000001, -0.7238291, -0.72148506]",PBE,22.9559314406185,0.000248259030911151,4.0,1.0,1.367706032724759,1.367706032724759,v0,fcc,23.2699010998,0.00169432,"[22.0443976688, 22.27644396, 22.5084902513, 22.7405365425, 22.9725828338, 23.204629125, 23.4366754163, 23.6687217075, 23.9007679988, 24.13281429, 24.3648605813]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351555, -0.73733696, -0.73879015, -0.7395701, -0.73972623, -0.7393082400000001, -0.73834373, -0.73687748, -0.73494392]",PBE,22.9559314406185,0.000248259030911151,34.0,1.0,0.003957015570674615,0.003957015570674615,v0,fcc,22.956839810399998,0.000480756,"[21.6428337027, 21.8706530048, 22.098472307, 22.3262916091, 22.5541109112, 22.7819302134, 23.0097495155, 23.2375688176, 23.4653881198, 23.6932074219, 23.921026724]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72697004, -0.73051086, -0.73330588, -0.73536163, -0.73672362, -0.73740286, -0.73746577, -0.7369695900000001, -0.73595929, -0.73446742, -0.7325378100000001]",PBE,22.9559314406185,0.000248259030911151,12.0,1.0,0.5485363754776221,0.5485363754776221,v0,fcc,23.081853074899996,0.0020168202,"[21.7887253051, 22.0180803083, 22.2474353115, 22.4767903147, 22.7061453179, 22.9355003211, 23.1648553243, 23.3942103276, 23.623565330799998, 23.852920334, 24.0822753372]" +22,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836502, -0.7321305100000001, -0.73507677, -0.7372528500000001, -0.73871332, -0.73950453, -0.7396752, -0.73926926, -0.73832497, -0.73687286, -0.73495083]",PBE,22.9559314406185,0.000248259030911151,38.0,1.0,0.011064939743652618,0.011064939743652618,v0,fcc,22.958471500599998,0.000151965,"[21.6400540435, 21.867844086, 22.0956341286, 22.3234241712, 22.5512142137, 22.7790042563, 23.0067942988, 23.2345843414, 23.462374384, 23.6901644265, 23.9179544691]" +23,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.73950115, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,22.9559314406185,0.000248259030911151,56.0,1.0,0.010421563266504843,-0.010421563266504843,v0,fcc,22.9535390737,0.0001941144,"[21.6351869748, 21.862925785, 22.0906645953, 22.3184034055, 22.5461422158, 22.7738810261, 23.0016198363, 23.2293586466, 23.4570974569, 23.6848362671, 23.9125750774]" +24,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72866381, -0.73239873, -0.73531353, -0.73746586, -0.73890043, -0.73966349, -0.73980778, -0.73937997, -0.73839835, -0.73691417, -0.73495228]",PBE,22.9559314406185,0.000248259030911151,30.0,1.0,0.011061517695623024,-0.011061517695623024,v0,fcc,22.9533921662,0.0002208269,"[21.6450578834, 21.8729005979, 22.1007433125, 22.3285860271, 22.5564287416, 22.7842714562, 23.0121141707, 23.2399568853, 23.4677995999, 23.6956423144, 23.923485029]" +25,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283409, -0.73210646, -0.73505198, -0.7372292500000001, -0.73869147, -0.73948879, -0.73966769, -0.73926939, -0.73833127, -0.73688535, -0.73496849]",PBE,22.9559314406185,0.000248259030911151,66.0,1.0,0.0056725488219359025,-0.0056725488219359025,v0,fcc,22.9546292542,0.0001024558,"[21.6340689893, 21.8617960313, 22.0895230732, 22.3172501152, 22.5449771572, 22.7727041992, 23.0004312412, 23.2281582832, 23.4558853252, 23.6836123672, 23.9113394092]" +26,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833972, -0.73210268, -0.7350454, -0.73722401, -0.73869026, -0.73949126, -0.73967176, -0.7392741700000001, -0.73833747, -0.7368940900000001, -0.7349796]",PBE,22.9559314406185,0.000248259030911151,64.0,1.0,0.0007107025124277481,0.0007107025124277481,v0,fcc,22.956094589,5.993030000000001e-05,"[21.6344592038, 21.8621903533, 22.0899215028, 22.3176526523, 22.5453838018, 22.7731149513, 23.0008461008, 23.2285772503, 23.4563083999, 23.6840395494, 23.9117706989]" +27,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72765762, -0.73181145, -0.73514886, -0.7377142999999999, -0.739557, -0.7407378, -0.74129775, -0.74127127, -0.74071038, -0.73964099, -0.73810064]",PBE,22.9559314406185,0.000248259030911151,10.0,1.0,0.6659227493205131,0.6659227493205131,v0,fcc,23.1088002104,0.0001811435,"[21.6379284893, 21.8656961576, 22.0934638259, 22.3212314942, 22.5489991625, 22.7767668308, 23.0045344992, 23.2323021675, 23.4600698358, 23.6878375041, 23.9156051724]" +28,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72836831, -0.73212897, -0.73506724, -0.73723929, -0.73869965, -0.73949488, -0.73966979, -0.73926492, -0.73831963, -0.73687097, -0.73495434]",PBE,22.9559314406185,0.000248259030911151,48.0,1.0,5.4666836451808263e-05,5.4666836451808263e-05,v0,fcc,22.955943989899996,0.0001130641,"[21.6367928678, 21.8645485822, 22.0923042966, 22.320060011, 22.5478157253, 22.7755714397, 23.0033271541, 23.2310828685, 23.4588385829, 23.6865942973, 23.9143500117]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72869661, -0.73234432, -0.7351933700000001, -0.73729186, -0.73869145, -0.73943871, -0.7395774700000001, -0.7391534, -0.73819642, -0.73672971, -0.73472512]",PBE,22.9559314406185,0.000248259030911151,18.0,1.0,0.1828522610379861,0.1828522610379861,v0,fcc,22.9979068803,0.0013013595,"[21.6877066772, 21.9159983264, 22.1442899756, 22.3725816249, 22.6008732741, 22.8291649233, 23.0574565726, 23.2857482218, 23.514039871, 23.7423315203, 23.9706231695]" +30,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72790685, -0.73160526, -0.73447074, -0.7365684, -0.73796664, -0.73871793, -0.73885132, -0.73841891, -0.73745925, -0.73602798, -0.73408885]",PBE,22.9559314406185,0.000248259030911151,16.0,1.0,0.2871782534811619,0.2871782534811619,v0,fcc,23.0218558836,0.0007906253,"[21.7123545153, 21.9409056155, 22.1694567156, 22.3980078158, 22.6265589159, 22.8551100161, 23.0836611163, 23.3122122164, 23.5407633166, 23.7693144167, 23.9978655169]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284630999999999, -0.73219794, -0.7351160800000001, -0.73727077, -0.73871074, -0.73948332, -0.7396208, -0.73918808, -0.73821508, -0.73674622, -0.73481661]",PBE,22.9559314406185,0.000248259030911151,28.0,1.0,0.026339228696267838,0.026339228696267838,v0,fcc,22.961977855900003,0.000608755,"[21.6523258339, 21.8802450532, 22.1081642725, 22.3360834918, 22.5640027111, 22.7919219304, 23.0198411497, 23.247760369, 23.4756795883, 23.7035988076, 23.9315180269]" +32,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838269, -0.73214785, -0.73509275, -0.73726746, -0.73872769, -0.73952204, -0.73969417, -0.73928527, -0.73833774, -0.73688245, -0.7349618800000001]",PBE,22.9559314406185,0.000248259030911151,50.0,1.0,0.007748120014648556,-0.007748120014648556,v0,fcc,22.9541527875,0.0001484803,"[21.6360722486, 21.8638203775, 22.0915685064, 22.3193166354, 22.5470647643, 22.7748128932, 23.0025610222, 23.2303091511, 23.45805728, 23.685805409, 23.9135535379]" +33,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7283234, -0.7320863999999999, -0.73503142, -0.73721192, -0.73867945, -0.73948137, -0.73966157, -0.73926254, -0.73832429, -0.73687904, -0.73496522]",PBE,22.9559314406185,0.000248259030911151,68.0,1.0,0.0014025208227101467,-0.0014025208227101467,v0,fcc,22.955609478899998,0.0001385233,"[21.6340694232, 21.8617964698, 22.0895235164, 22.3172505629, 22.544977609500002, 22.772704656, 23.0004317026, 23.2281587492, 23.4558857957, 23.6836128423, 23.9113398888]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283577999999999, -0.73206414, -0.73496039, -0.7370975, -0.73853331, -0.7393148900000001, -0.7394858400000001, -0.73907764, -0.73808564, -0.73658715, -0.73462519]",PBE,22.9559314406185,0.000248259030911151,22.0,1.0,0.14592198869452222,0.14592198869452222,v0,fcc,22.9894291923,0.0008294155000000001,"[21.6738871906, 21.9020333715, 22.1301795525, 22.3583257334, 22.5864719144, 22.8146180953, 23.0427642763, 23.2709104572, 23.4990566382, 23.7272028191, 23.9553490001]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7283674800000001, -0.73211611, -0.73504227, -0.73721147, -0.73867046, -0.73946903, -0.73964789, -0.73924595, -0.7383037, -0.73685165, -0.73493242]",PBE,22.9559314406185,0.000248259030911151,52.0,1.0,0.0037961020390386534,0.0037961020390386534,v0,fcc,22.956802871199997,0.0001496464,"[21.63640931, 21.8641609869, 22.0919126639, 22.3196643408, 22.5474160177, 22.7751676947, 23.0029193716, 23.2306710486, 23.4584227255, 23.6861744025, 23.9139260794]" +36,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284636, -0.73219837, -0.7351164, -0.7372709900000001, -0.7387108800000001, -0.73948338, -0.73962077, -0.73918797, -0.7382149100000001, -0.73674598, -0.7348163]",PBE,22.9559314406185,0.000248259030911151,28.0,1.0,0.02634087837882837,0.02634087837882837,v0,fcc,22.9619782346,0.0006085295,"[21.6523557411, 21.8802752753, 22.1081948094, 22.3361143435, 22.5640338776, 22.7919534117, 23.0198729458, 23.24779248, 23.4757120141, 23.7036315482, 23.9315510823]" +37,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.71790551, -0.7214929, -0.72422671, -0.7261936999999999, -0.72743167, -0.72796039, -0.7278083200000001, -0.7270416, -0.72569424, -0.72382924, -0.72148522]",PBE,22.9559314406185,0.000248259030911151,4.0,1.0,1.3677745831995782,1.3677745831995782,v0,fcc,23.2699168362,0.0016942205,"[22.0444049879, 22.2764513562, 22.5084977245, 22.7405440928, 22.9725904611, 23.2046368294, 23.4366831976, 23.6687295659, 23.9007759342, 24.1328223025, 24.3648686708]" +38,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7286955700000001, -0.73234349, -0.7351927500000001, -0.73729143, -0.73869119, -0.73943862, -0.73957754, -0.7391536200000001, -0.73819679, -0.7367301900000001, -0.73472578]",PBE,22.9559314406185,0.000248259030911151,18.0,1.0,0.18285826863563992,0.18285826863563992,v0,fcc,22.9979082594,0.0013005016000000001,"[21.687650699, 21.915941759, 22.144232819, 22.372523879, 22.600814939, 22.829105999, 23.0573970589, 23.2856881189, 23.5139791789, 23.7422702389, 23.9705612989]" +39,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.63612248, -0.64065722, -0.64437848, -0.64733939, -0.64964572, -0.65130054, -0.6523290700000001, -0.65281254, -0.65276087, -0.65220893, -0.6511832200000001]",PBE,22.9559314406185,0.000248259030911151,6.0,1.0,4.995574912514222,4.995574912514222,v0,fcc,24.102712192600002,0.0008068955,"[22.3627926257, 22.5981904428, 22.8335882599, 23.068986077, 23.3043838941, 23.5397817112, 23.7751795283, 24.0105773454, 24.2459751626, 24.4813729797, 24.7167707968]" +40,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.7284109999999999, -0.73216835, -0.73510051, -0.73726549, -0.7387158500000001, -0.7394978600000001, -0.73966219, -0.73924736, -0.73829413, -0.7368414600000001, -0.73491784]",PBE,22.9559314406185,0.000248259030911151,46.0,1.0,0.015767558932912634,-0.015767558932912634,v0,fcc,22.9523118506,0.0001055734,"[21.6372614995, 21.8650221469, 22.0927827942, 22.3205434416, 22.5483040889, 22.7760647363, 23.0038253837, 23.231586031, 23.4593466784, 23.6871073258, 23.9148679731]" +41,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72833357, -0.73209555, -0.7350384400000001, -0.73721603, -0.7386815, -0.73948186, -0.73966137, -0.73926357, -0.73832589, -0.73687903, -0.73496332]",PBE,22.9559314406185,0.000248259030911151,58.0,1.0,0.0011457913706626115,0.0011457913706626115,v0,fcc,22.9561944677,7.21284e-05,"[21.6348766565, 21.8626122003, 22.090347744, 22.3180832878, 22.5458188315, 22.7735543753, 23.0012899191, 23.2290254628, 23.4567610066, 23.6844965503, 23.9122320941]" +42,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.7284693, -0.73222809, -0.7351558300000001, -0.73733696, -0.73879015, -0.73957016, -0.73972623, -0.7393082400000001, -0.7383435500000001, -0.73687724, -0.73494392]",PBE,22.9559314406185,0.000248259030911151,34.0,1.0,0.0038945511046382508,0.0038945511046382508,v0,fcc,22.9568254711,0.0004768791,"[21.6428424896, 21.8706618842, 22.0984812788, 22.3263006735, 22.5541200681, 22.7819394627, 23.0097588574, 23.237578252, 23.4653976466, 23.6932170412, 23.9210364359]" +43,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839389, -0.73214785, -0.7350882400000001, -0.73726145, -0.73871515, -0.73950512, -0.73968267, -0.73928069, -0.73833919, -0.7368884, -0.73496678]",PBE,22.9559314406185,0.000248259030911151,44.0,1.0,0.006278343726660715,0.006278343726660715,v0,fcc,22.957372692899998,0.0002371673,"[21.6381933175, 21.8659637735, 22.0937342294, 22.3215046854, 22.5492751414, 22.7770455974, 23.0048160533, 23.2325865093, 23.4603569653, 23.6881274212, 23.9158978772]" +44,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72354093, -0.7296638400000001, -0.73484053, -0.73915199, -0.74209833, -0.74417485, -0.7454652900000001, -0.74605487, -0.74599411, -0.74533207, -0.74468523]",PBE,22.9559314406185,0.000248259030911151,8.0,1.0,1.2295091869767882,-1.2295091869767882,v0,fcc,22.673686154600002,0.0129771014,"[21.0124991027, 21.2336833038, 21.4548675049, 21.676051706, 21.897235907, 22.1184201081, 22.3396043092, 22.5607885103, 22.7819727114, 23.0031569124, 23.2243411135]" +45,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72850761, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920778, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,22.9559314406185,0.000248259030911151,36.0,1.0,0.027108230979863646,-0.027108230979863646,v0,fcc,22.949708493699998,0.0005138297000000001,"[21.6410867787, 21.8688876921, 22.0966886056, 22.324489519, 22.5522904325, 22.780091346, 23.0078922594, 23.2356931729, 23.4634940863, 23.6912949998, 23.9190959133]" +46,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72838353, -0.73213333, -0.7350650400000001, -0.73723337, -0.7386872, -0.73947408, -0.73964275, -0.7392337, -0.73828366, -0.73682817, -0.73490579]",PBE,22.9559314406185,0.000248259030911151,42.0,1.0,0.00030454081847598334,0.00030454081847598334,v0,fcc,22.956001350799998,0.0001457407,"[21.6389167199, 21.8666947907, 22.0944728614, 22.3222509321, 22.5500290029, 22.777807073600002, 23.0055851443, 23.2333632151, 23.4611412858, 23.6889193566, 23.9166974273]" +47,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72833087, -0.73209647, -0.73504318, -0.73722391, -0.73869183, -0.73949489, -0.73967746, -0.73928101, -0.73834496, -0.73689972, -0.73498476]",PBE,22.9559314406185,0.000248259030911151,70.0,1.0,0.0002014236783133217,0.0002014236783133217,v0,fcc,22.9559776793,6.27242e-05,"[21.6338645246, 21.8615894143, 22.089314304, 22.3170391938, 22.5447640835, 22.7724889732, 23.000213863, 23.2279387527, 23.4556636424, 23.6833885322, 23.9111134219]" +48,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72886731, -0.73256175, -0.73544579, -0.73756952, -0.7389856, -0.7397407500000001, -0.73987209, -0.7394128600000001, -0.73841187, -0.73690553, -0.7349238300000001]",PBE,22.9559314406185,0.000248259030911151,24.0,1.0,0.03614403799280205,0.03614403799280205,v0,fcc,22.9642286412,0.00032272320000000003,"[21.6612864907, 21.8893000327, 22.1173135747, 22.3453271167, 22.5733406587, 22.8013542007, 23.0293677427, 23.2573812847, 23.4853948267, 23.7134083687, 23.9414219107]" +49,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72850708, -0.73224387, -0.73516139, -0.73731018, -0.73872475, -0.73948084, -0.73963446, -0.73920788, -0.73825239, -0.7367887200000001, -0.73485986]",PBE,22.9559314406185,0.000248259030911151,36.0,1.0,0.02719448494018827,-0.02719448494018827,v0,fcc,22.9496886933,0.0005132019,"[21.6410795565, 21.868880394, 22.0966812314, 22.3244820689, 22.5522829063, 22.7800837437, 23.0078845812, 23.2356854186, 23.463486256, 23.6912870935, 23.9190879309]" +50,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836815, -0.73213059, -0.7350707, -0.7372442300000001, -0.73870611, -0.7395012, -0.73967508, -0.7392661500000001, -0.73831818, -0.73685959, -0.73493898]",PBE,22.9559314406185,0.000248259030911151,56.0,1.0,0.010387474908877335,-0.010387474908877335,v0,fcc,22.953546899000006,0.00019446520000000002,"[21.6351945772, 21.8629334675, 22.0906723578, 22.3184112481, 22.5461501383, 22.7738890286, 23.0016279189, 23.2293668092, 23.4571056995, 23.6848445898, 23.9125834801]" +51,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72836005, -0.73212338, -0.73506489, -0.73724108, -0.73870168, -0.73949919, -0.73967655, -0.73927774, -0.7383415600000001, -0.73689617, -0.73498187]",PBE,22.9559314406185,0.000248259030911151,54.0,1.0,0.001988304341655055,0.001988304341655055,v0,fcc,22.9563878744,9.39804e-05,"[21.6358132886, 21.8635586916, 22.0913040947, 22.3190494977, 22.5467949007, 22.7745403038, 23.0022857068, 23.2300311099, 23.4577765129, 23.6855219159, 23.913267319]" +52,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72864217, -0.73238074, -0.73529975, -0.7374558800000001, -0.73889406, -0.73966139, -0.7398089800000001, -0.73938364, -0.73840562, -0.73692377, -0.73496561]",PBE,22.9559314406185,0.000248259030911151,30.0,1.0,0.010940635212267793,-0.010940635212267793,v0,fcc,22.953419915900003,0.000202258,"[21.6438534256, 21.8716834617, 22.0995134977, 22.3273435338, 22.5551735699, 22.7830036059, 23.010833642, 23.238663678, 23.4664937141, 23.6943237502, 23.9221537862]" +53,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72856947, -0.7322784800000001, -0.7351778, -0.7373103999999999, -0.73873309, -0.73949611, -0.73960001, -0.73916193, -0.73818019, -0.73669305, -0.73474385]",PBE,22.9559314406185,0.000248259030911151,26.0,1.0,0.0010865604915585212,0.0010865604915585212,v0,fcc,22.956180870700003,0.0007756244000000001,"[21.6525692767, 21.8804910586, 22.1084128405, 22.3363346223, 22.564256404200002, 22.792178186, 23.0200999679, 23.2480217498, 23.4759435316, 23.7038653135, 23.9317870954]" +54,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72845782, -0.7322162, -0.73515212, -0.73731686, -0.73876743, -0.73955087, -0.73971475, -0.73930217, -0.73835185, -0.73689174, -0.73496163]",PBE,22.9559314406185,0.000248259030911151,40.0,1.0,0.008234695783923097,-0.008234695783923097,v0,fcc,22.9540410895,0.0001273713,"[21.6386881501, 21.8664638149, 22.0942394796, 22.3220151443, 22.5497908091, 22.7775664738, 23.0053421386, 23.2331178033, 23.460893468, 23.6886691328, 23.9164447975]" +55,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72839921, -0.73215719, -0.73509236, -0.73726141, -0.73871002, -0.73949254, -0.73965715, -0.73924647, -0.7382883100000001, -0.7368245800000001, -0.73489088]",PBE,22.9559314406185,0.000248259030911151,32.0,1.0,0.020316349147344377,0.020316349147344377,v0,fcc,22.9605952478,0.000167123,"[21.6451731927, 21.873017121, 22.1008610494, 22.3287049777, 22.5565489061, 22.7843928344, 23.0122367628, 23.2400806911, 23.4679246194, 23.6957685478, 23.9236124761]" +56,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839758, -0.73215591, -0.73509139, -0.73726073, -0.7387096, -0.73949244, -0.73965723, -0.73924668, -0.73828808, -0.73682507, -0.7348918]",PBE,22.9559314406185,0.000248259030911151,32.0,1.0,0.02023584751295244,0.02023584751295244,v0,fcc,22.9605767679,0.0001627175,"[21.6451001867, 21.8729433465, 22.1007865064, 22.3286296663, 22.5564728261, 22.784315986, 23.0121591458, 23.2400023057, 23.4678454656, 23.6956886254, 23.9235317853]" +57,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72838248, -0.73213248, -0.73506439, -0.7372331400000001, -0.73868692, -0.73947397, -0.73964278, -0.7392339, -0.73828401, -0.73682865, -0.7349064]",PBE,22.9559314406185,0.000248259030911151,42.0,1.0,0.00030166574455675474,0.00030166574455675474,v0,fcc,22.9560006908,0.00014754160000000002,"[21.6388660354, 21.8666435726, 22.0944211098, 22.322198647, 22.5499761842, 22.7777537215, 23.0055312587, 23.2333087959, 23.4610863331, 23.6888638703, 23.9166414075]" +58,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72839336, -0.73214743, -0.7350879100000001, -0.73726122, -0.7387150100000001, -0.73950501, -0.7396826999999999, -0.73928079, -0.73833936, -0.73688864, -0.73496709]",PBE,22.9559314406185,0.000248259030911151,44.0,1.0,0.006255873717052049,0.006255873717052049,v0,fcc,22.957367534699998,0.0002379378,"[21.6381592136, 21.8659293106, 22.0936994076, 22.3214695045, 22.5492396015, 22.7770096985, 23.0047797955, 23.2325498925, 23.4603199895, 23.6880900865, 23.9158601834]" +59,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72790792, -0.7316060999999999, -0.7344710600000001, -0.7365686300000001, -0.73796677, -0.73871803, -0.73885126, -0.7384187, -0.73745889, -0.73602773, -0.73408852]",PBE,22.9559314406185,0.000248259030911151,16.0,1.0,0.28726980149806813,0.28726980149806813,v0,fcc,23.021876899299997,0.0007917845000000001,"[21.7124061084, 21.9409577516, 22.1695093949, 22.3980610381, 22.6266126814, 22.8551643246, 23.0837159679, 23.3122676111, 23.5408192543, 23.769370897599998, 23.9979225408]" +60,TetraBloechl,PseudoPot_2_POT,VASP,Cd,"[-0.72934997, -0.73305999, -0.73595429, -0.73808272, -0.7394961600000001, -0.7402272, -0.7403421, -0.73988666, -0.73868554, -0.73719212, -0.73522829]",PBE,22.9559314406185,0.000248259030911151,20.0,1.0,0.0336029580784077,-0.0336029580784077,v0,fcc,22.9482175686,0.0041365632,"[21.6590726725, 21.8870629111, 22.1150531498, 22.3430433884, 22.5710336271, 22.7990238658, 23.0270141044, 23.2550043431, 23.4829945817, 23.7109848204, 23.938975059]" +61,TetraBloechl,PseudoPot_1_POT,VASP,Cd,"[-0.72354179, -0.72966458, -0.73484116, -0.73915251, -0.74209866, -0.7441753, -0.74546542, -0.74605493, -0.7459940700000001, -0.74533202, -0.7446850700000001]",PBE,22.9559314406185,0.000248259030911151,8.0,1.0,1.2294944513516788,-1.2294944513516788,v0,fcc,22.6736895373,0.0129760819,"[21.0125343527, 21.2337189248, 21.4549034969, 21.6760880691, 21.8972726412, 22.1184572133, 22.3396417855, 22.5608263576, 22.7820109297, 23.0031955019, 23.224380074]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47258653, -1.4796425, -1.48496681, -1.48868163, -1.49089177, -1.49173029, -1.4913467200000001, -1.48983041, -1.4872011600000001, -1.4835847, -1.47900843]",PBE,43.6984050545472,0.0205291460391793,30.0,1.0,0.8484208269945066,-0.8484208269945066,B,hcp,43.327658685,0.0523164593,"[43.617510657, 44.0766423481, 44.5357740392, 44.9949057303, 45.4540374215, 45.9131691126, 46.3723008037, 46.8314324949, 47.290564186, 47.7496958771, 48.2088275682]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46200573, -1.46898725, -1.47421593, -1.47788611, -1.4800651999999999, -1.48093095, -1.48052336, -1.47895214, -1.47630551, -1.47316771, -1.46883637]",PBE,43.6984050545472,0.0205291460391793,8.0,1.0,2.5056901376158107,-2.5056901376158107,B,hcp,42.6034584288,0.2320892944,"[42.6624210703, 43.1114991868, 43.5605773034, 44.0096554199, 44.4587335364, 44.907811653, 45.3568897695, 45.805967886, 46.2550460025, 46.7041241191, 47.1532022356]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,43.6984050545472,0.0205291460391793,20.0,1.0,0.21055851542486803,-0.21055851542486803,B,hcp,43.6063943416,0.0732887185,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,43.6984050545472,0.0205291460391793,10.0,1.0,1.7853634455970115,1.7853634455970115,B,hcp,44.478580404700004,0.029752966300000006,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,43.6984050545472,0.0205291460391793,34.0,1.0,0.34871620384539426,-0.34871620384539426,B,hcp,43.5460216353,0.0342476488,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,43.6984050545472,0.0205291460391793,30.0,1.0,0.6661243580488948,-0.6661243580488948,B,hcp,43.40731933439999,0.0466161354,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,43.6984050545472,0.0205291460391793,34.0,1.0,0.34790929933810255,-0.34790929933810255,B,hcp,43.5463742397,0.0296261222,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7284273903129015,-0.7284273903129015,B,hcp,43.380093903,0.040976955700000005,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7126386188660089,-0.7126386188660089,B,hcp,43.3869933443,0.044301413600000006,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.6166318899999998, -1.61595209, -1.61403753, -1.61105995, -1.60703774, -1.60204374, -1.59615494]",PBE,43.6984050545472,0.0205291460391793,4.0,1.0,11.931223576340257,11.931223576340257,B,hcp,48.9121594609,0.30599662440000003,"[43.3156714446, 43.7716258808, 44.2275803171, 44.6835347533, 45.1394891896, 45.5954436259, 46.0513980621, 46.5073524984, 46.9633069346, 47.4192613709, 47.8752158071]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,43.6984050545472,0.0205291460391793,46.0,1.0,0.24572483186320848,-0.24572483186320848,B,hcp,43.59102722220001,0.021407707400000003,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46200833, -1.46898693, -1.47421793, -1.47788187, -1.48006716, -1.48092618, -1.48052526, -1.47895401, -1.47630737, -1.47316931, -1.46883501]",PBE,43.6984050545472,0.0205291460391793,8.0,1.0,2.508049200146154,-2.508049200146154,B,hcp,42.602427556100004,0.23054468820000001,"[42.6624196591, 43.1114977607, 43.5605758624, 44.0096539641, 44.4587320658, 44.9078101674, 45.3568882691, 45.8059663708, 46.2550444725, 46.7041225741, 47.1532006758]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,43.6984050545472,0.0205291460391793,50.0,1.0,0.1715712750925726,-0.1715712750925726,B,hcp,43.6234311438,0.0173558647,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4725604300000001, -1.47965776, -1.48501541, -1.48875771, -1.49099117, -1.4918505, -1.49146296, -1.48995628, -1.48740818, -1.48381529, -1.47925884]",PBE,43.6984050545472,0.0205291460391793,26.0,1.0,1.0851209039673224,-1.0851209039673224,B,hcp,43.2242245266,0.07447051639999999,"[43.6081351878, 44.0671681898, 44.5262011918, 44.9852341937, 45.4442671957, 45.9033001977, 46.3623331997, 46.8213662016, 47.2803992036, 47.7394322056, 48.1984652076]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,43.6984050545472,0.0205291460391793,48.0,1.0,0.13990553035261524,-0.13990553035261524,B,hcp,43.6372685692,0.0191474604,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47264328, -1.47973214, -1.48509014, -1.48883377, -1.49106749, -1.49192013, -1.49153814, -1.490025, -1.48744174, -1.48381886, -1.47931048]",PBE,43.6984050545472,0.0205291460391793,28.0,1.0,0.9975984130382716,-0.9975984130382716,B,hcp,43.2624704592,0.0452750133,"[43.625091706, 44.0843031977, 44.5435146893, 45.002726181, 45.4619376726, 45.9211491643, 46.3803606559, 46.8395721475, 47.2987836392, 47.7579951308, 48.2172066225]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47258926, -1.47965004, -1.48498406, -1.48869775, -1.4909218499999999, -1.49178431, -1.49142237, -1.48988404, -1.4872415, -1.48361596, -1.4790589600000001]",PBE,43.6984050545472,0.0205291460391793,36.0,1.0,0.7127799370672406,-0.7127799370672406,B,hcp,43.38693159050001,0.0300098932,"[43.6366359219, 44.0959689316, 44.5553019413, 45.014634951, 45.4739679607, 45.9333009705, 46.3926339802, 46.8519669899, 47.3112999996, 47.7706330093, 48.229966019]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47419539, -1.48125544, -1.48657913, -1.49028585, -1.49247961, -1.49327322, -1.49277789, -1.49109965, -1.4883302, -1.48454526, -1.4800174799999999]",PBE,43.6984050545472,0.0205291460391793,18.0,1.0,0.9508918722184709,0.9508918722184709,B,hcp,44.113929636499996,0.1087759027,"[43.6056415294, 44.0646482823, 44.5236550352, 44.9826617882, 45.4416685411, 45.9006752941, 46.359682047, 46.8186887999, 47.2776955529, 47.7367023058, 48.1957090588]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47751101, -1.4843743200000001, -1.48951528, -1.49304423, -1.49506802, -1.49569212, -1.4950246200000001, -1.49319559, -1.49028296, -1.48634833, -1.4814803699999999]",PBE,43.6984050545472,0.0205291460391793,12.0,1.0,1.7081661374620805,1.7081661374620805,B,hcp,44.444846412299995,0.0335110905,"[43.7863508773, 44.2472598339, 44.7081687905, 45.1690777471, 45.6299867037, 46.0908956603, 46.5518046169, 47.0127135735, 47.4736225301, 47.9345314867, 48.3954404433]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,43.6984050545472,0.0205291460391793,10.0,1.0,1.7853634455970115,1.7853634455970115,B,hcp,44.478580404700004,0.029752966300000006,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47254886, -1.47964915, -1.48501226, -1.48875768, -1.49099353, -1.49185635, -1.49146021, -1.4899539, -1.48740849, -1.48381665, -1.47926269]",PBE,43.6984050545472,0.0205291460391793,26.0,1.0,1.0704181174652116,-1.0704181174652116,B,hcp,43.230649409799994,0.07514926,"[43.6097538494, 44.0688038899, 44.5278539305, 44.986903971, 45.4459540115, 45.905004052, 46.3640540925, 46.8231041331, 47.2821541736, 47.7412042141, 48.2002542546]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4491026, -1.45507617, -1.4593897999999998, -1.46217113, -1.46352022, -1.46353771, -1.4623715, -1.4601323, -1.45692236, -1.45280257, -1.44784048]",PBE,43.6984050545472,0.0205291460391793,6.0,1.0,3.5305023419536887,-3.5305023419536887,B,hcp,42.1556318407,0.048338937500000005,"[44.3694436803, 44.8364904559, 45.3035372314, 45.770584007, 46.2376307826, 46.7046775582, 47.1717243338, 47.6387711094, 48.1058178849, 48.5728646605, 49.0399114361]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,43.6984050545472,0.0205291460391793,34.0,1.0,0.34871620384539426,-0.34871620384539426,B,hcp,43.5460216353,0.0342476488,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4775239500000001, -1.48438838, -1.4895315500000001, -1.4930644100000001, -1.4950927, -1.49571947, -1.49505467, -1.49322535, -1.4903094700000001, -1.48638287, -1.48151273]",PBE,43.6984050545472,0.0205291460391793,12.0,1.0,1.718146094612813,1.718146094612813,B,hcp,44.44920749439999,0.0355273744,"[43.7885956334, 44.249528219, 44.7104608046, 45.1713933902, 45.6323259758, 46.0932585615, 46.5541911471, 47.0151237327, 47.4760563183, 47.9369889039, 48.3979214895]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47368882, -1.4807454500000001, -1.48608086, -1.48980365, -1.49203909, -1.49290275, -1.49250327, -1.49093165, -1.4882731200000001, -1.48463937, -1.48020731]",PBE,43.6984050545472,0.0205291460391793,16.0,1.0,0.34054577726907265,-0.34054577726907265,B,hcp,43.549591981400006,0.0776495653,"[43.3895389736, 43.8462709628, 44.303002952, 44.7597349412, 45.2164669304, 45.6731989196, 46.1299309088, 46.586662898, 47.0433948872, 47.5001268764, 47.9568588656]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,43.6984050545472,0.0205291460391793,30.0,1.0,0.6661243580488948,-0.6661243580488948,B,hcp,43.40731933439999,0.0466161354,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47368127, -1.48074573, -1.48608176, -1.48980492, -1.49203854, -1.49290502, -1.4925036999999999, -1.49093251, -1.48827001, -1.48464087, -1.4802091]",PBE,43.6984050545472,0.0205291460391793,16.0,1.0,0.33219818907805904,-0.33219818907805904,B,hcp,43.5532397443,0.0772565855,"[43.3893939719, 43.8461244347, 44.3028548976, 44.7595853604, 45.2163158233, 45.6730462862, 46.129776749, 46.5865072119, 47.0432376748, 47.4999681376, 47.9566986005]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,43.6984050545472,0.0205291460391793,34.0,1.0,0.34790929933810255,-0.34790929933810255,B,hcp,43.5463742397,0.0296261222,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47263346, -1.4797303099999999, -1.4850892500000001, -1.4888337200000001, -1.49106707, -1.4919255900000001, -1.4915402, -1.49002112, -1.48743692, -1.48381838, -1.47930773]",PBE,43.6984050545472,0.0205291460391793,28.0,1.0,0.968742718455689,-0.968742718455689,B,hcp,43.2750799375,0.039521309500000004,"[43.6277668514, 44.0870065025, 44.5462461536, 45.0054858046, 45.4647254557, 45.9239651068, 46.3832047578, 46.8424444089, 47.30168406, 47.760923711, 48.2201633621]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7284273903129015,-0.7284273903129015,B,hcp,43.380093903,0.040976955700000005,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.48389945, -1.4908616399999999, -1.4961114100000001, -1.49975423, -1.50192557, -1.5027320899999999, -1.50228714, -1.50063987, -1.49785798, -1.49406404, -1.4893497199999999]",PBE,43.6984050545472,0.0205291460391793,10.0,1.0,1.7279627780699278,1.7279627780699278,B,hcp,44.453497228500005,0.033714463300000004,"[43.2768079599, 43.7323533068, 44.1878986538, 44.6434440007, 45.0989893477, 45.5545346946, 46.0100800416, 46.4656253885, 46.9211707355, 47.3767160824, 47.8322614294]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47256308, -1.47960346, -1.48491866, -1.4886238, -1.49082522, -1.49168313, -1.49127579, -1.48970189, -1.4870569599999999, -1.483409, -1.47883439]",PBE,43.6984050545472,0.0205291460391793,44.0,1.0,0.5833850309387323,-0.5833850309387323,B,hcp,43.4434751007,0.0150585527,"[43.6451226195, 44.1045449629, 44.5639673063, 45.0233896496, 45.482811993, 45.9422343364, 46.4016566797, 46.8610790231, 47.3205013664, 47.7799237098, 48.2393460532]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4741950799999999, -1.48125519, -1.48657894, -1.4902857200000001, -1.49247954, -1.4932732, -1.49277791, -1.49109997, -1.4883302999999999, -1.48454542, -1.48001761]",PBE,43.6984050545472,0.0205291460391793,18.0,1.0,0.9514960803118236,0.9514960803118236,B,hcp,44.1141936658,0.1087600122,"[43.6056160924, 44.0646225776, 44.5236290628, 44.982635548, 45.4416420332, 45.9006485183, 46.3596550035, 46.8186614887, 47.2776679739, 47.7366744591, 48.1956809443]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,43.6984050545472,0.0205291460391793,32.0,1.0,0.7126386188660089,-0.7126386188660089,B,hcp,43.3869933443,0.044301413600000006,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46920899, -1.4762564, -1.48157502, -1.48530964, -1.48760641, -1.48854097, -1.48822567, -1.48674992, -1.48418718, -1.48063483, -1.47618363]",PBE,43.6984050545472,0.0205291460391793,14.0,1.0,1.1769469508216885,-1.1769469508216885,B,hcp,43.1840980087,0.022820447200000003,"[43.369329068, 43.8258483214, 44.2823675747, 44.7388868281, 45.1954060814, 45.6519253348, 46.1084445881, 46.5649638415, 47.0214830948, 47.4780023482, 47.9345216015]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46920616, -1.47624971, -1.48157328, -1.48531097, -1.48760136, -1.48854321, -1.48822814, -1.4867505699999999, -1.4841902999999999, -1.4806362, -1.47618746]",PBE,43.6984050545472,0.0205291460391793,14.0,1.0,1.173117459109314,-1.173117459109314,B,hcp,43.1857714355,0.0222250304,"[43.3691779353, 43.8256955978, 44.2822132603, 44.7387309227, 45.1952485852, 45.6517662477, 46.1082839102, 46.5648015726, 47.0213192351, 47.4778368976, 47.9343545601]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,43.6984050545472,0.0205291460391793,46.0,1.0,0.24572483186320848,-0.24572483186320848,B,hcp,43.59102722220001,0.021407707400000003,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47278157, -1.47983103, -1.48514271, -1.48884499, -1.49104191, -1.49187555, -1.4914466100000001, -1.48992005, -1.48734021, -1.48378209, -1.47924576]",PBE,43.6984050545472,0.0205291460391793,24.0,1.0,1.51106591172597,-1.51106591172597,B,hcp,43.0380933518,0.0609670028,"[43.5788917093, 44.0376168852, 44.4963420611, 44.955067237, 45.4137924129, 45.8725175888, 46.3312427647, 46.7899679406, 47.2486931165, 47.7074182923, 48.1661434682]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.61663193, -1.61595212, -1.61403747, -1.61105998, -1.6070376400000002, -1.60204376, -1.5961549700000002]",PBE,43.6984050545472,0.0205291460391793,4.0,1.0,11.931410149282444,11.931410149282444,B,hcp,48.9122409903,0.3059939336,"[43.3156737275, 43.7716281878, 44.2275826481, 44.6835371084, 45.1394915687, 45.595446029, 46.0514004893, 46.5073549496, 46.9633094099, 47.4192638702, 47.8752183304]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47250511, -1.47955334, -1.4848715700000001, -1.48857687, -1.49077632, -1.49161698, -1.4912308699999999, -1.48967082, -1.4870215500000001, -1.48338265, -1.47881358]",PBE,43.6984050545472,0.0205291460391793,38.0,1.0,0.6754968648826537,-0.6754968648826537,B,hcp,43.40322369840001,0.0279664471,"[43.6379902895, 44.0973375557, 44.5566848219, 45.0160320881, 45.4753793543, 45.9347266205, 46.3940738867, 46.8534211529, 47.3127684191, 47.7721156853, 48.2314629515]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4491043399999999, -1.45507773, -1.4593915, -1.46217273, -1.46352167, -1.46353505, -1.46237094, -1.46012765, -1.45691781, -1.45280036, -1.44784234]",PBE,43.6984050545472,0.0205291460391793,6.0,1.0,3.5344266911327056,-3.5344266911327056,B,hcp,42.1539169627,0.0502144987,"[44.3694238924, 44.8364704597, 45.303517027, 45.7705635942, 46.2376101615, 46.7046567288, 47.1717032961, 47.6387498634, 48.1057964307, 48.572842998, 49.0398895653]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47224645, -1.4793327600000001, -1.4846970800000001, -1.48844578, -1.49070272, -1.4915945, -1.49121235, -1.4897417800000001, -1.48720548, -1.4837204, -1.47929647]",PBE,43.6984050545472,0.0205291460391793,22.0,1.0,2.1049945639869097,-2.1049945639869097,B,hcp,42.7785560036,0.0453245839,"[43.5570606261, 44.0155560011, 44.4740513761, 44.9325467512, 45.3910421262, 45.8495375012, 46.3080328762, 46.7665282512, 47.2250236262, 47.6835190012, 48.1420143762]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47303172, -1.48007318, -1.48539175, -1.48909485, -1.49129414, -1.4921237, -1.49167236, -1.49003177, -1.48736218, -1.48375546, -1.47921938]",PBE,43.6984050545472,0.0205291460391793,20.0,1.0,0.5768383929174415,-0.5768383929174415,B,hcp,43.4463358771,0.06580892690000001,"[43.6209253749, 44.0800930104, 44.5392606459, 44.9984282814, 45.457595917, 45.9167635525, 46.375931188, 46.8350988235, 47.294266459, 47.7534340946, 48.2126017301]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47260962, -1.47964578, -1.4849575, -1.48865888, -1.49086192, -1.4917186999999998, -1.49131514, -1.48974686, -1.48709304, -1.4834352800000001, -1.47882969]",PBE,43.6984050545472,0.0205291460391793,46.0,1.0,0.40138686761738696,-0.40138686761738696,B,hcp,43.5230053953,0.0216330113,"[43.6379054624, 44.0972518357, 44.5565982089, 45.0159445822, 45.4752909555, 45.9346373288, 46.3939837021, 46.8533300754, 47.3126764487, 47.772022822, 48.2313691952]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,43.6984050545472,0.0205291460391793,50.0,1.0,0.1715712750925726,-0.1715712750925726,B,hcp,43.6234311438,0.0173558647,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,43.6984050545472,0.0205291460391793,20.0,1.0,0.21055851542486803,-0.21055851542486803,B,hcp,43.6063943416,0.0732887185,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,43.6984050545472,0.0205291460391793,48.0,1.0,0.13990553035261524,-0.13990553035261524,B,hcp,43.6372685692,0.0191474604,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47278398, -1.47982889, -1.48514065, -1.48884286, -1.49104661, -1.49187357, -1.4914443099999999, -1.48992199, -1.48734234, -1.4837842, -1.47924764]",PBE,43.6984050545472,0.0205291460391793,24.0,1.0,1.5207488818360173,-1.5207488818360173,B,hcp,43.0338620483,0.0637521815,"[43.5789563581, 44.0376822145, 44.4964080709, 44.9551339273, 45.4138597837, 45.8725856401, 46.3313114965, 46.7900373529, 47.2487632093, 47.7074890657, 48.166214922099996]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47225011, -1.47933434, -1.48469553, -1.48844393, -1.49070302, -1.49159213, -1.49120977, -1.4897391500000001, -1.48720451, -1.48371728, -1.47929566]",PBE,43.6984050545472,0.0205291460391793,22.0,1.0,2.1208299719185444,-2.1208299719185444,B,hcp,42.7716361829,0.0454679913,"[43.5570512498, 44.0155465262, 44.4740418025, 44.9325370788, 45.3910323551, 45.8495276314, 46.3080229077, 46.766518184, 47.2250134604, 47.6835087367, 48.142004013]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47258653, -1.4796425, -1.48496681, -1.48868163, -1.49089177, -1.49173029, -1.4913467200000001, -1.48983041, -1.4872011600000001, -1.4835847, -1.47900843]",PBE,-1.4917645442775602,1.5075941920712399e-05,30.0,1.0,-0.0009346664319928185,0.0009346664319928185,E0,hcp,-1.4917784873,9.3063e-06,"[43.617510657, 44.0766423481, 44.5357740392, 44.9949057303, 45.4540374215, 45.9131691126, 46.3723008037, 46.8314324949, 47.290564186, 47.7496958771, 48.2088275682]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46200573, -1.46898725, -1.47421593, -1.47788611, -1.4800651999999999, -1.48093095, -1.48052336, -1.47895214, -1.47630551, -1.47316771, -1.46883637]",PBE,-1.4917645442775602,1.5075941920712399e-05,8.0,1.0,-0.7297712577578684,-0.7297712577578684,E0,hcp,-1.4808780754,4.01167e-05,"[42.6624210703, 43.1114991868, 43.5605773034, 44.0096554199, 44.4587335364, 44.907811653, 45.3568897695, 45.805967886, 46.2550460025, 46.7041241191, 47.1532022356]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,-1.4917645442775602,1.5075941920712399e-05,20.0,1.0,-0.02413676634299422,0.02413676634299422,E0,hcp,-1.4921246080000001,1.32637e-05,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,-1.4917645442775602,1.5075941920712399e-05,10.0,1.0,-0.7374527410937679,0.7374527410937679,E0,hcp,-1.5027656028,5.4188000000000005e-06,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,-0.009328122388587767,0.009328122388587767,E0,hcp,-1.4919036979,6.1352e-06,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,-1.4917645442775602,1.5075941920712399e-05,30.0,1.0,-0.0018476322249011885,0.0018476322249011885,E0,hcp,-1.4917921066,8.326000000000001e-06,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,-0.009236070328147005,0.009236070328147005,E0,hcp,-1.4919023247,5.3072000000000015e-06,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,-0.011976432758475864,-0.011976432758475864,E0,hcp,-1.4915858841,7.3409e-06,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,-0.011470850290450167,-0.011470850290450167,E0,hcp,-1.4915934262000001,7.9352e-06,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.6166318899999998, -1.61595209, -1.61403753, -1.61105995, -1.60703774, -1.60204374, -1.59615494]",PBE,-1.4917645442775602,1.5075941920712399e-05,4.0,1.0,-8.370554267524303,8.370554267524303,E0,hcp,-1.616633505,4.64637e-05,"[43.3156714446, 43.7716258808, 44.2275803171, 44.6835347533, 45.1394891896, 45.5954436259, 46.0513980621, 46.5073524984, 46.9633069346, 47.4192613709, 47.8752158071]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,-1.4917645442775602,1.5075941920712399e-05,46.0,1.0,-0.001312088937586466,-0.001312088937586466,E0,hcp,-1.491744971,3.8642e-06,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46200833, -1.46898693, -1.47421793, -1.47788187, -1.48006716, -1.48092618, -1.48052526, -1.47895401, -1.47630737, -1.47316931, -1.46883501]",PBE,-1.4917645442775602,1.5075941920712399e-05,8.0,1.0,-0.7297713784203222,-0.7297713784203222,E0,hcp,-1.4808780736000002,3.98473e-05,"[42.6624196591, 43.1114977607, 43.5605758624, 44.0096539641, 44.4587320658, 44.9078101674, 45.3568882691, 45.8059663708, 46.2550444725, 46.7041225741, 47.1532006758]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,-1.4917645442775602,1.5075941920712399e-05,50.0,1.0,-0.00015418502666766795,-0.00015418502666766795,E0,hcp,-1.4917622441999998,3.1315e-06,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4725604300000001, -1.47965776, -1.48501541, -1.48875771, -1.49099117, -1.4918505, -1.49146296, -1.48995628, -1.48740818, -1.48381529, -1.47925884]",PBE,-1.4917645442775602,1.5075941920712399e-05,26.0,1.0,-0.008591350621082114,0.008591350621082114,E0,hcp,-1.491892707,1.31599e-05,"[43.6081351878, 44.0671681898, 44.5262011918, 44.9852341937, 45.4442671957, 45.9033001977, 46.3623331997, 46.8213662016, 47.2803992036, 47.7394322056, 48.1984652076]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47264328, -1.47973214, -1.48509014, -1.48883377, -1.49106749, -1.49192013, -1.49153814, -1.490025, -1.48744174, -1.48381886, -1.47931048]",PBE,-1.4917645442775602,1.5075941920712399e-05,28.0,1.0,-0.01311459125304027,0.01311459125304027,E0,hcp,-1.4919601831,8.0166e-06,"[43.625091706, 44.0843031977, 44.5435146893, 45.002726181, 45.4619376726, 45.9211491643, 46.3803606559, 46.8395721475, 47.2987836392, 47.7579951308, 48.2172066225]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,-1.4917645442775602,1.5075941920712399e-05,48.0,1.0,-0.00236803606676315,0.00236803606676315,E0,hcp,-1.4917998698,3.4529e-06,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47258926, -1.47965004, -1.48498406, -1.48869775, -1.4909218499999999, -1.49178431, -1.49142237, -1.48988404, -1.4872415, -1.48361596, -1.4790589600000001]",PBE,-1.4917645442775602,1.5075941920712399e-05,36.0,1.0,-0.004105877343372173,0.004105877343372173,E0,hcp,-1.4918257943000002,5.334e-06,"[43.6366359219, 44.0959689316, 44.5553019413, 45.014634951, 45.4739679607, 45.9333009705, 46.3926339802, 46.8519669899, 47.3112999996, 47.7706330093, 48.229966019]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47751101, -1.4843743200000001, -1.48951528, -1.49304423, -1.49506802, -1.49569212, -1.4950246200000001, -1.49319559, -1.49028296, -1.48634833, -1.4814803699999999]",PBE,-1.4917645442775602,1.5075941920712399e-05,12.0,1.0,-0.26257952285203606,0.26257952285203606,E0,hcp,-1.4956816125,6.3025e-06,"[43.7863508773, 44.2472598339, 44.7081687905, 45.1690777471, 45.6299867037, 46.0908956603, 46.5518046169, 47.0127135735, 47.4736225301, 47.9345314867, 48.3954404433]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47419539, -1.48125544, -1.48657913, -1.49028585, -1.49247961, -1.49327322, -1.49277789, -1.49109965, -1.4883302, -1.48454526, -1.4800174799999999]",PBE,-1.4917645442775602,1.5075941920712399e-05,18.0,1.0,-0.09970257894553725,0.09970257894553725,E0,hcp,-1.493251872,1.97352e-05,"[43.6056415294, 44.0646482823, 44.5236550352, 44.9826617882, 45.4416685411, 45.9006752941, 46.359682047, 46.8186887999, 47.2776955529, 47.7367023058, 48.1957090588]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,-1.4917645442775602,1.5075941920712399e-05,10.0,1.0,-0.7374527410937679,0.7374527410937679,E0,hcp,-1.5027656028,5.4188000000000005e-06,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4491026, -1.45507617, -1.4593897999999998, -1.46217113, -1.46352022, -1.46353771, -1.4623715, -1.4601323, -1.45692236, -1.45280257, -1.44784048]",PBE,-1.4917645442775602,1.5075941920712399e-05,6.0,1.0,-1.883626781810151,-1.883626781810151,E0,hcp,-1.4636652678,9.0549e-06,"[44.3694436803, 44.8364904559, 45.3035372314, 45.770584007, 46.2376307826, 46.7046775582, 47.1717243338, 47.6387711094, 48.1058178849, 48.5728646605, 49.0399114361]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47254886, -1.47964915, -1.48501226, -1.48875768, -1.49099353, -1.49185635, -1.49146021, -1.4899539, -1.48740849, -1.48381665, -1.47926269]",PBE,-1.4917645442775602,1.5075941920712399e-05,26.0,1.0,-0.008633776887505435,0.008633776887505435,E0,hcp,-1.4918933399,1.32784e-05,"[43.6097538494, 44.0688038899, 44.5278539305, 44.986903971, 45.4459540115, 45.905004052, 46.3640540925, 46.8231041331, 47.2821541736, 47.7412042141, 48.2002542546]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,-0.009328122388587767,0.009328122388587767,E0,hcp,-1.4919036979,6.1352e-06,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4775239500000001, -1.48438838, -1.4895315500000001, -1.4930644100000001, -1.4950927, -1.49571947, -1.49505467, -1.49322535, -1.4903094700000001, -1.48638287, -1.48151273]",PBE,-1.4917645442775602,1.5075941920712399e-05,12.0,1.0,-0.26432526081716634,0.26432526081716634,E0,hcp,-1.4957076548,6.68e-06,"[43.7885956334, 44.249528219, 44.7104608046, 45.1713933902, 45.6323259758, 46.0932585615, 46.5541911471, 47.0151237327, 47.4760563183, 47.9369889039, 48.3979214895]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47368882, -1.4807454500000001, -1.48608086, -1.48980365, -1.49203909, -1.49290275, -1.49250327, -1.49093165, -1.4882731200000001, -1.48463937, -1.48020731]",PBE,-1.4917645442775602,1.5075941920712399e-05,16.0,1.0,-0.07630240488060032,0.07630240488060032,E0,hcp,-1.4929027965000001,1.3748800000000001e-05,"[43.3895389736, 43.8462709628, 44.303002952, 44.7597349412, 45.2164669304, 45.6731989196, 46.1299309088, 46.586662898, 47.0433948872, 47.5001268764, 47.9568588656]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,-1.4917645442775602,1.5075941920712399e-05,30.0,1.0,-0.0018476322249011885,0.0018476322249011885,E0,hcp,-1.4917921066,8.326000000000001e-06,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47368127, -1.48074573, -1.48608176, -1.48980492, -1.49203854, -1.49290502, -1.4925036999999999, -1.49093251, -1.48827001, -1.48464087, -1.4802091]",PBE,-1.4917645442775602,1.5075941920712399e-05,16.0,1.0,-0.07635068998045946,0.07635068998045946,E0,hcp,-1.4929035168,1.36794e-05,"[43.3893939719, 43.8461244347, 44.3028548976, 44.7595853604, 45.2163158233, 45.6730462862, 46.129776749, 46.5865072119, 47.0432376748, 47.4999681376, 47.9566986005]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,-1.4917645442775602,1.5075941920712399e-05,34.0,1.0,-0.009236070328147005,0.009236070328147005,E0,hcp,-1.4919023247,5.3072000000000015e-06,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47263346, -1.4797303099999999, -1.4850892500000001, -1.4888337200000001, -1.49106707, -1.4919255900000001, -1.4915402, -1.49002112, -1.48743692, -1.48381838, -1.47930773]",PBE,-1.4917645442775602,1.5075941920712399e-05,28.0,1.0,-0.013173172883986823,0.013173172883986823,E0,hcp,-1.491961057,6.9989e-06,"[43.6277668514, 44.0870065025, 44.5462461536, 45.0054858046, 45.4647254557, 45.9239651068, 46.3832047578, 46.8424444089, 47.30168406, 47.760923711, 48.2201633621]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,-0.011976432758475864,-0.011976432758475864,E0,hcp,-1.4915858841,7.3409e-06,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.48389945, -1.4908616399999999, -1.4961114100000001, -1.49975423, -1.50192557, -1.5027320899999999, -1.50228714, -1.50063987, -1.49785798, -1.49406404, -1.4893497199999999]",PBE,-1.4917645442775602,1.5075941920712399e-05,10.0,1.0,-0.7364925024250792,0.7364925024250792,E0,hcp,-1.5027512783,6.0806e-06,"[43.2768079599, 43.7323533068, 44.1878986538, 44.6434440007, 45.0989893477, 45.5545346946, 46.0100800416, 46.4656253885, 46.9211707355, 47.3767160824, 47.8322614294]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47256308, -1.47960346, -1.48491866, -1.4886238, -1.49082522, -1.49168313, -1.49127579, -1.48970189, -1.4870569599999999, -1.483409, -1.47883439]",PBE,-1.4917645442775602,1.5075941920712399e-05,44.0,1.0,-0.004213371191942009,-0.004213371191942009,E0,hcp,-1.4917016907,2.692e-06,"[43.6451226195, 44.1045449629, 44.5639673063, 45.0233896496, 45.482811993, 45.9422343364, 46.4016566797, 46.8610790231, 47.3205013664, 47.7799237098, 48.2393460532]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4741950799999999, -1.48125519, -1.48657894, -1.4902857200000001, -1.49247954, -1.4932732, -1.49277791, -1.49109997, -1.4883302999999999, -1.48454542, -1.48001761]",PBE,-1.4917645442775602,1.5075941920712399e-05,18.0,1.0,-0.09970475757352028,0.09970475757352028,E0,hcp,-1.4932519045,1.97321e-05,"[43.6056160924, 44.0646225776, 44.5236290628, 44.982635548, 45.4416420332, 45.9006485183, 46.3596550035, 46.8186614887, 47.2776679739, 47.7366744591, 48.1956809443]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,-1.4917645442775602,1.5075941920712399e-05,32.0,1.0,-0.011470850290450167,-0.011470850290450167,E0,hcp,-1.4915934262000001,7.9352e-06,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46920899, -1.4762564, -1.48157502, -1.48530964, -1.48760641, -1.48854097, -1.48822567, -1.48674992, -1.48418718, -1.48063483, -1.47618363]",PBE,-1.4917645442775602,1.5075941920712399e-05,14.0,1.0,-0.2140170906868173,-0.2140170906868173,E0,hcp,-1.4885719132,3.9656e-06,"[43.369329068, 43.8258483214, 44.2823675747, 44.7388868281, 45.1954060814, 45.6519253348, 46.1084445881, 46.5649638415, 47.0214830948, 47.4780023482, 47.9345216015]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46920616, -1.47624971, -1.48157328, -1.48531097, -1.48760136, -1.48854321, -1.48822814, -1.4867505699999999, -1.4841902999999999, -1.4806362, -1.47618746]",PBE,-1.4917645442775602,1.5075941920712399e-05,14.0,1.0,-0.21398436434257925,-0.21398436434257925,E0,hcp,-1.4885724014,3.8612e-06,"[43.3691779353, 43.8256955978, 44.2822132603, 44.7387309227, 45.1952485852, 45.6517662477, 46.1082839102, 46.5648015726, 47.0213192351, 47.4778368976, 47.9343545601]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,-1.4917645442775602,1.5075941920712399e-05,46.0,1.0,-0.001312088937586466,-0.001312088937586466,E0,hcp,-1.491744971,3.8642e-06,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47278157, -1.47983103, -1.48514271, -1.48884499, -1.49104191, -1.49187555, -1.4914466100000001, -1.48992005, -1.48734021, -1.48378209, -1.47924576]",PBE,-1.4917645442775602,1.5075941920712399e-05,24.0,1.0,-0.008886283224002393,0.008886283224002393,E0,hcp,-1.4918971067,1.08399e-05,"[43.5788917093, 44.0376168852, 44.4963420611, 44.955067237, 45.4137924129, 45.8725175888, 46.3312427647, 46.7899679406, 47.2486931165, 47.7074182923, 48.1661434682]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.61663193, -1.61595212, -1.61403747, -1.61105998, -1.6070376400000002, -1.60204376, -1.5961549700000002]",PBE,-1.4917645442775602,1.5075941920712399e-05,4.0,1.0,-8.370554562477027,8.370554562477027,E0,hcp,-1.6166335094000002,4.64629e-05,"[43.3156737275, 43.7716281878, 44.2275826481, 44.6835371084, 45.1394915687, 45.595446029, 46.0514004893, 46.5073549496, 46.9633094099, 47.4192638702, 47.8752183304]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47250511, -1.47955334, -1.4848715700000001, -1.48857687, -1.49077632, -1.49161698, -1.4912308699999999, -1.48967082, -1.4870215500000001, -1.48338265, -1.47881358]",PBE,-1.4917645442775602,1.5075941920712399e-05,38.0,1.0,-0.007432672802527343,-0.007432672802527343,E0,hcp,-1.4916536663,4.9945e-06,"[43.6379902895, 44.0973375557, 44.5566848219, 45.0160320881, 45.4753793543, 45.9347266205, 46.3940738867, 46.8534211529, 47.3127684191, 47.7721156853, 48.2314629515]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47224645, -1.4793327600000001, -1.4846970800000001, -1.48844578, -1.49070272, -1.4915945, -1.49121235, -1.4897417800000001, -1.48720548, -1.4837204, -1.47929647]",PBE,-1.4917645442775602,1.5075941920712399e-05,22.0,1.0,-0.010234871055615932,-0.010234871055615932,E0,hcp,-1.4916118641,7.9327e-06,"[43.5570606261, 44.0155560011, 44.4740513761, 44.9325467512, 45.3910421262, 45.8495375012, 46.3080328762, 46.7665282512, 47.2250236262, 47.6835190012, 48.1420143762]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4491043399999999, -1.45507773, -1.4593915, -1.46217273, -1.46352167, -1.46353505, -1.46237094, -1.46012765, -1.45691781, -1.45280036, -1.44784234]",PBE,-1.4917645442775602,1.5075941920712399e-05,6.0,1.0,-1.8836895799242108,-1.8836895799242108,E0,hcp,-1.463664331,9.4041e-06,"[44.3694238924, 44.8364704597, 45.303517027, 45.7705635942, 46.2376101615, 46.7046567288, 47.1717032961, 47.6387498634, 48.1057964307, 48.572842998, 49.0398895653]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47260962, -1.47964578, -1.4849575, -1.48865888, -1.49086192, -1.4917186999999998, -1.49131514, -1.48974686, -1.48709304, -1.4834352800000001, -1.47882969]",PBE,-1.4917645442775602,1.5075941920712399e-05,46.0,1.0,-0.0013937305079424003,-0.0013937305079424003,E0,hcp,-1.4917437531,3.8685e-06,"[43.6379054624, 44.0972518357, 44.5565982089, 45.0159445822, 45.4752909555, 45.9346373288, 46.3939837021, 46.8533300754, 47.3126764487, 47.772022822, 48.2313691952]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47303172, -1.48007318, -1.48539175, -1.48909485, -1.49129414, -1.4921237, -1.49167236, -1.49003177, -1.48736218, -1.48375546, -1.47921938]",PBE,-1.4917645442775602,1.5075941920712399e-05,20.0,1.0,-0.023024097452725593,0.023024097452725593,E0,hcp,-1.4921080096,1.18193e-05,"[43.6209253749, 44.0800930104, 44.5392606459, 44.9984282814, 45.457595917, 45.9167635525, 46.375931188, 46.8350988235, 47.294266459, 47.7534340946, 48.2126017301]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,-1.4917645442775602,1.5075941920712399e-05,50.0,1.0,-0.00015418502666766795,-0.00015418502666766795,E0,hcp,-1.4917622441999998,3.1315e-06,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,-1.4917645442775602,1.5075941920712399e-05,20.0,1.0,-0.02413676634299422,0.02413676634299422,E0,hcp,-1.4921246080000001,1.32637e-05,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,-1.4917645442775602,1.5075941920712399e-05,48.0,1.0,-0.00236803606676315,0.00236803606676315,E0,hcp,-1.4917998698,3.4529e-06,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47278398, -1.47982889, -1.48514065, -1.48884286, -1.49104661, -1.49187357, -1.4914443099999999, -1.48992199, -1.48734234, -1.4837842, -1.47924764]",PBE,-1.4917645442775602,1.5075941920712399e-05,24.0,1.0,-0.008878507197920063,0.008878507197920063,E0,hcp,-1.4918969907,1.13338e-05,"[43.5789563581, 44.0376822145, 44.4964080709, 44.9551339273, 45.4138597837, 45.8725856401, 46.3313114965, 46.7900373529, 47.2487632093, 47.7074890657, 48.166214922099996]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47225011, -1.47933434, -1.48469553, -1.48844393, -1.49070302, -1.49159213, -1.49120977, -1.4897391500000001, -1.48720451, -1.48371728, -1.47929566]",PBE,-1.4917645442775602,1.5075941920712399e-05,22.0,1.0,-0.010380792207072527,-0.010380792207072527,E0,hcp,-1.4916096873,7.9583e-06,"[43.5570512498, 44.0155465262, 44.4740418025, 44.9325370788, 45.3910323551, 45.8495276314, 46.3080229077, 46.766518184, 47.2250134604, 47.6835087367, 48.142004013]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47258653, -1.4796425, -1.48496681, -1.48868163, -1.49089177, -1.49173029, -1.4913467200000001, -1.48983041, -1.4872011600000001, -1.4835847, -1.47900843]",PBE,6.8377328633682,0.0110853734863317,30.0,1.0,2.121578065867007,2.121578065867007,dB,hcp,6.982800704,0.1205907926,"[43.617510657, 44.0766423481, 44.5357740392, 44.9949057303, 45.4540374215, 45.9131691126, 46.3723008037, 46.8314324949, 47.290564186, 47.7496958771, 48.2088275682]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46200573, -1.46898725, -1.47421593, -1.47788611, -1.4800651999999999, -1.48093095, -1.48052336, -1.47895214, -1.47630551, -1.47316771, -1.46883637]",PBE,6.8377328633682,0.0110853734863317,8.0,1.0,26.103933914911202,26.103933914911202,dB,hcp,8.6226501313,0.5361440615999999,"[42.6624210703, 43.1114991868, 43.5605773034, 44.0096554199, 44.4587335364, 44.907811653, 45.3568897695, 45.805967886, 46.2550460025, 46.7041241191, 47.1532022356]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,6.8377328633682,0.0110853734863317,20.0,1.0,7.8327228035050585,7.8327228035050585,dB,hcp,7.3733135246,0.17166316399999998,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,6.8377328633682,0.0110853734863317,10.0,1.0,7.5902058494947715,-7.5902058494947715,dB,hcp,6.3187348636000005,0.0699322968,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.9715610138515364,0.9715610138515364,dB,hcp,6.9041656101,0.0792767915,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,6.8377328633682,0.0110853734863317,30.0,1.0,3.1315461558748834,3.1315461558748834,dB,hcp,7.051859624,0.1077738801,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.636249844811413,0.636249844811413,dB,hcp,6.881237928099999,0.0685828098,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.48675163240299013,0.48675163240299013,dB,hcp,6.8710156397,0.0951941909,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.8756153956957471,-0.8756153956957471,dB,hcp,6.7778606217,0.1029208524,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.6166318899999998, -1.61595209, -1.61403753, -1.61105995, -1.60703774, -1.60204374, -1.59615494]",PBE,6.8377328633682,0.0110853734863317,4.0,1.0,41.36607854607684,41.36607854607684,dB,hcp,9.666234810399999,0.5790488387,"[43.3156714446, 43.7716258808, 44.2275803171, 44.6835347533, 45.1394891896, 45.5954436259, 46.0513980621, 46.5073524984, 46.9633069346, 47.4192613709, 47.8752158071]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,6.8377328633682,0.0110853734863317,46.0,1.0,0.0659007820551213,0.0659007820551213,dB,hcp,6.8422389828,0.050017051400000005,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46200833, -1.46898693, -1.47421793, -1.47788187, -1.48006716, -1.48092618, -1.48052526, -1.47895401, -1.47630737, -1.47316931, -1.46883501]",PBE,6.8377328633682,0.0110853734863317,8.0,1.0,25.779282062556362,25.779282062556362,dB,hcp,8.6004513049,0.5325805457,"[42.6624196591, 43.1114977607, 43.5605758624, 44.0096539641, 44.4587320658, 44.9078101674, 45.3568882691, 45.8059663708, 46.2550444725, 46.7041225741, 47.1532006758]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,6.8377328633682,0.0110853734863317,50.0,1.0,0.5528283524252808,0.5528283524252808,dB,hcp,6.8755337893,0.040479905600000005,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4725604300000001, -1.47965776, -1.48501541, -1.48875771, -1.49099117, -1.4918505, -1.49146296, -1.48995628, -1.48740818, -1.48381529, -1.47925884]",PBE,6.8377328633682,0.0110853734863317,26.0,1.0,5.157474652469622,5.157474652469622,dB,hcp,7.1903872026,0.1703913316,"[43.6081351878, 44.0671681898, 44.5262011918, 44.9852341937, 45.4442671957, 45.9033001977, 46.3623331997, 46.8213662016, 47.2803992036, 47.7394322056, 48.1984652076]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,6.8377328633682,0.0110853734863317,48.0,1.0,0.26400309419090096,0.26400309419090096,dB,hcp,6.8557846897,0.0446201622,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47264328, -1.47973214, -1.48509014, -1.48883377, -1.49106749, -1.49192013, -1.49153814, -1.490025, -1.48744174, -1.48381886, -1.47931048]",PBE,6.8377328633682,0.0110853734863317,28.0,1.0,5.494917902462766,5.494917902462766,dB,hcp,7.213460670599999,0.1037297308,"[43.625091706, 44.0843031977, 44.5435146893, 45.002726181, 45.4619376726, 45.9211491643, 46.3803606559, 46.8395721475, 47.2987836392, 47.7579951308, 48.2172066225]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47258926, -1.47965004, -1.48498406, -1.48869775, -1.4909218499999999, -1.49178431, -1.49142237, -1.48988404, -1.4872415, -1.48361596, -1.4790589600000001]",PBE,6.8377328633682,0.0110853734863317,36.0,1.0,0.7522944733243265,0.7522944733243265,dB,hcp,6.8891727498,0.0689798534,"[43.6366359219, 44.0959689316, 44.5553019413, 45.014634951, 45.4739679607, 45.9333009705, 46.3926339802, 46.8519669899, 47.3112999996, 47.7706330093, 48.229966019]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47419539, -1.48125544, -1.48657913, -1.49028585, -1.49247961, -1.49327322, -1.49277789, -1.49109965, -1.4883302, -1.48454526, -1.4800174799999999]",PBE,6.8377328633682,0.0110853734863317,18.0,1.0,7.628182497829659,7.628182497829659,dB,hcp,7.3593276049,0.2531738471,"[43.6056415294, 44.0646482823, 44.5236550352, 44.9826617882, 45.4416685411, 45.9006752941, 46.359682047, 46.8186887999, 47.2776955529, 47.7367023058, 48.1957090588]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47751101, -1.4843743200000001, -1.48951528, -1.49304423, -1.49506802, -1.49569212, -1.4950246200000001, -1.49319559, -1.49028296, -1.48634833, -1.4814803699999999]",PBE,6.8377328633682,0.0110853734863317,12.0,1.0,0.3069182615224715,0.3069182615224715,dB,hcp,6.8587191142,0.0812645647,"[43.7863508773, 44.2472598339, 44.7081687905, 45.1690777471, 45.6299867037, 46.0908956603, 46.5518046169, 47.0127135735, 47.4736225301, 47.9345314867, 48.3954404433]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,6.8377328633682,0.0110853734863317,10.0,1.0,7.5902058494947715,-7.5902058494947715,dB,hcp,6.3187348636000005,0.0699322968,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47254886, -1.47964915, -1.48501226, -1.48875768, -1.49099353, -1.49185635, -1.49146021, -1.4899539, -1.48740849, -1.48381665, -1.47926269]",PBE,6.8377328633682,0.0110853734863317,26.0,1.0,5.684446795430036,5.684446795430036,dB,hcp,7.22642015,0.17186558270000002,"[43.6097538494, 44.0688038899, 44.5278539305, 44.986903971, 45.4459540115, 45.905004052, 46.3640540925, 46.8231041331, 47.2821541736, 47.7412042141, 48.2002542546]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4491026, -1.45507617, -1.4593897999999998, -1.46217113, -1.46352022, -1.46353771, -1.4623715, -1.4601323, -1.45692236, -1.45280257, -1.44784048]",PBE,6.8377328633682,0.0110853734863317,6.0,1.0,16.70856723509117,16.70856723509117,dB,hcp,7.9802200562,0.1256227724,"[44.3694436803, 44.8364904559, 45.3035372314, 45.770584007, 46.2376307826, 46.7046775582, 47.1717243338, 47.6387711094, 48.1058178849, 48.5728646605, 49.0399114361]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.9715610138515364,0.9715610138515364,dB,hcp,6.9041656101,0.0792767915,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4775239500000001, -1.48438838, -1.4895315500000001, -1.4930644100000001, -1.4950927, -1.49571947, -1.49505467, -1.49322535, -1.4903094700000001, -1.48638287, -1.48151273]",PBE,6.8377328633682,0.0110853734863317,12.0,1.0,0.1675071673706527,0.1675071673706527,dB,hcp,6.849186556,0.08610436390000001,"[43.7885956334, 44.249528219, 44.7104608046, 45.1713933902, 45.6323259758, 46.0932585615, 46.5541911471, 47.0151237327, 47.4760563183, 47.9369889039, 48.3979214895]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47368882, -1.4807454500000001, -1.48608086, -1.48980365, -1.49203909, -1.49290275, -1.49250327, -1.49093165, -1.4882731200000001, -1.48463937, -1.48020731]",PBE,6.8377328633682,0.0110853734863317,16.0,1.0,6.9311278913921415,6.9311278913921415,dB,hcp,7.311664873,0.17803731450000002,"[43.3895389736, 43.8462709628, 44.303002952, 44.7597349412, 45.2164669304, 45.6731989196, 46.1299309088, 46.586662898, 47.0433948872, 47.5001268764, 47.9568588656]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,6.8377328633682,0.0110853734863317,30.0,1.0,3.1315461558748834,3.1315461558748834,dB,hcp,7.051859624,0.1077738801,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47368127, -1.48074573, -1.48608176, -1.48980492, -1.49203854, -1.49290502, -1.4925036999999999, -1.49093251, -1.48827001, -1.48464087, -1.4802091]",PBE,6.8377328633682,0.0110853734863317,16.0,1.0,7.391287650901973,7.391287650901973,dB,hcp,7.3431293681,0.1771074609,"[43.3893939719, 43.8461244347, 44.3028548976, 44.7595853604, 45.2163158233, 45.6730462862, 46.129776749, 46.5865072119, 47.0432376748, 47.4999681376, 47.9566986005]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,6.8377328633682,0.0110853734863317,34.0,1.0,0.636249844811413,0.636249844811413,dB,hcp,6.881237928099999,0.0685828098,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47263346, -1.4797303099999999, -1.4850892500000001, -1.4888337200000001, -1.49106707, -1.4919255900000001, -1.4915402, -1.49002112, -1.48743692, -1.48381838, -1.47930773]",PBE,6.8377328633682,0.0110853734863317,28.0,1.0,5.889357786835717,5.889357786835717,dB,hcp,7.2404314162,0.09052244300000001,"[43.6277668514, 44.0870065025, 44.5462461536, 45.0054858046, 45.4647254557, 45.9239651068, 46.3832047578, 46.8424444089, 47.30168406, 47.760923711, 48.2201633621]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.48675163240299013,0.48675163240299013,dB,hcp,6.8710156397,0.0951941909,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.48389945, -1.4908616399999999, -1.4961114100000001, -1.49975423, -1.50192557, -1.5027320899999999, -1.50228714, -1.50063987, -1.49785798, -1.49406404, -1.4893497199999999]",PBE,6.8377328633682,0.0110853734863317,10.0,1.0,8.301044299478582,-8.301044299478582,dB,hcp,6.2701296293,0.0782651396,"[43.2768079599, 43.7323533068, 44.1878986538, 44.6434440007, 45.0989893477, 45.5545346946, 46.0100800416, 46.4656253885, 46.9211707355, 47.3767160824, 47.8322614294]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47256308, -1.47960346, -1.48491866, -1.4886238, -1.49082522, -1.49168313, -1.49127579, -1.48970189, -1.4870569599999999, -1.483409, -1.47883439]",PBE,6.8377328633682,0.0110853734863317,44.0,1.0,1.6608343072335199,1.6608343072335199,dB,hcp,6.9512962766,0.034832909,"[43.6451226195, 44.1045449629, 44.5639673063, 45.0233896496, 45.482811993, 45.9422343364, 46.4016566797, 46.8610790231, 47.3205013664, 47.7799237098, 48.2393460532]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4741950799999999, -1.48125519, -1.48657894, -1.4902857200000001, -1.49247954, -1.4932732, -1.49277791, -1.49109997, -1.4883302999999999, -1.48454542, -1.48001761]",PBE,6.8377328633682,0.0110853734863317,18.0,1.0,7.618382692639974,7.618382692639974,dB,hcp,7.358657520399999,0.2531245974,"[43.6056160924, 44.0646225776, 44.5236290628, 44.982635548, 45.4416420332, 45.9006485183, 46.3596550035, 46.8186614887, 47.2776679739, 47.7366744591, 48.1956809443]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,6.8377328633682,0.0110853734863317,32.0,1.0,0.8756153956957471,-0.8756153956957471,dB,hcp,6.7778606217,0.1029208524,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46920899, -1.4762564, -1.48157502, -1.48530964, -1.48760641, -1.48854097, -1.48822567, -1.48674992, -1.48418718, -1.48063483, -1.47618363]",PBE,6.8377328633682,0.0110853734863317,14.0,1.0,2.0749151700306707,-2.0749151700306707,dB,hcp,6.695855706900001,0.0515349649,"[43.369329068, 43.8258483214, 44.2823675747, 44.7388868281, 45.1954060814, 45.6519253348, 46.1084445881, 46.5649638415, 47.0214830948, 47.4780023482, 47.9345216015]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46920616, -1.47624971, -1.48157328, -1.48531097, -1.48760136, -1.48854321, -1.48822814, -1.4867505699999999, -1.4841902999999999, -1.4806362, -1.47618746]",PBE,6.8377328633682,0.0110853734863317,14.0,1.0,2.1584920604151447,-2.1584920604151447,dB,hcp,6.6901409424,0.0501724107,"[43.3691779353, 43.8256955978, 44.2822132603, 44.7387309227, 45.1952485852, 45.6517662477, 46.1082839102, 46.5648015726, 47.0213192351, 47.4778368976, 47.9343545601]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,6.8377328633682,0.0110853734863317,46.0,1.0,0.0659007820551213,0.0659007820551213,dB,hcp,6.8422389828,0.050017051400000005,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47278157, -1.47983103, -1.48514271, -1.48884499, -1.49104191, -1.49187555, -1.4914466100000001, -1.48992005, -1.48734021, -1.48378209, -1.47924576]",PBE,6.8377328633682,0.0110853734863317,24.0,1.0,8.71543328819441,8.71543328819441,dB,hcp,7.433670909500001,0.14135262510000002,"[43.5788917093, 44.0376168852, 44.4963420611, 44.955067237, 45.4137924129, 45.8725175888, 46.3312427647, 46.7899679406, 47.2486931165, 47.7074182923, 48.1661434682]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.61663193, -1.61595212, -1.61403747, -1.61105998, -1.6070376400000002, -1.60204376, -1.5961549700000002]",PBE,6.8377328633682,0.0110853734863317,4.0,1.0,41.37038806073454,41.37038806073454,dB,hcp,9.6665294835,0.5790339913,"[43.3156737275, 43.7716281878, 44.2275826481, 44.6835371084, 45.1394915687, 45.595446029, 46.0514004893, 46.5073549496, 46.9633094099, 47.4192638702, 47.8752183304]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47250511, -1.47955334, -1.4848715700000001, -1.48857687, -1.49077632, -1.49161698, -1.4912308699999999, -1.48967082, -1.4870215500000001, -1.48338265, -1.47881358]",PBE,6.8377328633682,0.0110853734863317,38.0,1.0,2.261083625540216,2.261083625540216,dB,hcp,6.9923397215000005,0.06466783940000001,"[43.6379902895, 44.0973375557, 44.5566848219, 45.0160320881, 45.4753793543, 45.9347266205, 46.3940738867, 46.8534211529, 47.3127684191, 47.7721156853, 48.2314629515]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4491043399999999, -1.45507773, -1.4593915, -1.46217273, -1.46352167, -1.46353505, -1.46237094, -1.46012765, -1.45691781, -1.45280036, -1.44784234]",PBE,6.8377328633682,0.0110853734863317,6.0,1.0,17.178185701352554,17.178185701352554,dB,hcp,8.0123313124,0.1304923925,"[44.3694238924, 44.8364704597, 45.303517027, 45.7705635942, 46.2376101615, 46.7046567288, 47.1717032961, 47.6387498634, 48.1057964307, 48.572842998, 49.0398895653]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47224645, -1.4793327600000001, -1.4846970800000001, -1.48844578, -1.49070272, -1.4915945, -1.49121235, -1.4897417800000001, -1.48720548, -1.4837204, -1.47929647]",PBE,6.8377328633682,0.0110853734863317,22.0,1.0,10.811184810862262,10.811184810862262,dB,hcp,7.5769728001,0.1033898838,"[43.5570606261, 44.0155560011, 44.4740513761, 44.9325467512, 45.3910421262, 45.8495375012, 46.3080328762, 46.7665282512, 47.2250236262, 47.6835190012, 48.1420143762]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47303172, -1.48007318, -1.48539175, -1.48909485, -1.49129414, -1.4921237, -1.49167236, -1.49003177, -1.48736218, -1.48375546, -1.47921938]",PBE,6.8377328633682,0.0110853734863317,20.0,1.0,9.301503653924652,9.301503653924652,dB,hcp,7.4737448355,0.1531229755,"[43.6209253749, 44.0800930104, 44.5392606459, 44.9984282814, 45.457595917, 45.9167635525, 46.375931188, 46.8350988235, 47.294266459, 47.7534340946, 48.2126017301]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,6.8377328633682,0.0110853734863317,50.0,1.0,0.5528283524252808,0.5528283524252808,dB,hcp,6.8755337893,0.040479905600000005,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47260962, -1.47964578, -1.4849575, -1.48865888, -1.49086192, -1.4917186999999998, -1.49131514, -1.48974686, -1.48709304, -1.4834352800000001, -1.47882969]",PBE,6.8377328633682,0.0110853734863317,46.0,1.0,0.5378153344540764,-0.5378153344540764,dB,hcp,6.8009584875,0.0500081585,"[43.6379054624, 44.0972518357, 44.5565982089, 45.0159445822, 45.4752909555, 45.9346373288, 46.3939837021, 46.8533300754, 47.3126764487, 47.772022822, 48.2313691952]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,6.8377328633682,0.0110853734863317,20.0,1.0,7.8327228035050585,7.8327228035050585,dB,hcp,7.3733135246,0.17166316399999998,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,6.8377328633682,0.0110853734863317,48.0,1.0,0.26400309419090096,0.26400309419090096,dB,hcp,6.8557846897,0.0446201622,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47278398, -1.47982889, -1.48514065, -1.48884286, -1.49104661, -1.49187357, -1.4914443099999999, -1.48992199, -1.48734234, -1.4837842, -1.47924764]",PBE,6.8377328633682,0.0110853734863317,24.0,1.0,8.540566787280673,8.540566787280673,dB,hcp,7.4217140053,0.1478058607,"[43.5789563581, 44.0376822145, 44.4964080709, 44.9551339273, 45.4138597837, 45.8725856401, 46.3313114965, 46.7900373529, 47.2487632093, 47.7074890657, 48.166214922099996]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47225011, -1.47933434, -1.48469553, -1.48844393, -1.49070302, -1.49159213, -1.49120977, -1.4897391500000001, -1.48720451, -1.48371728, -1.47929566]",PBE,6.8377328633682,0.0110853734863317,22.0,1.0,10.741379827319088,10.741379827319088,dB,hcp,7.5721997218,0.1037479203,"[43.5570512498, 44.0155465262, 44.4740418025, 44.9325370788, 45.3910323551, 45.8495276314, 46.3080229077, 46.766518184, 47.2250134604, 47.6835087367, 48.142004013]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47258653, -1.4796425, -1.48496681, -1.48868163, -1.49089177, -1.49173029, -1.4913467200000001, -1.48983041, -1.4872011600000001, -1.4835847, -1.47900843]",PBE,46.0441199123342,0.00313194240324945,30.0,1.0,0.10809033776507983,-0.10809033776507983,v0,hcp,45.9943506676,0.0017653703,"[43.617510657, 44.0766423481, 44.5357740392, 44.9949057303, 45.4540374215, 45.9131691126, 46.3723008037, 46.8314324949, 47.290564186, 47.7496958771, 48.2088275682]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46200573, -1.46898725, -1.47421593, -1.47788611, -1.4800651999999999, -1.48093095, -1.48052336, -1.47895214, -1.47630551, -1.47316771, -1.46883637]",PBE,46.0441199123342,0.00313194240324945,8.0,1.0,2.3112929109306886,-2.3112929109306886,v0,hcp,44.9799054329,0.0076634804,"[42.6624210703, 43.1114991868, 43.5605773034, 44.0096554199, 44.4587335364, 44.907811653, 45.3568897695, 45.805967886, 46.2550460025, 46.7041241191, 47.1532022356]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,46.0441199123342,0.00313194240324945,20.0,1.0,0.09032260734568733,-0.09032260734568733,v0,hcp,46.00253166270001,0.0025214766,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +3,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,46.0441199123342,0.00313194240324945,10.0,1.0,0.9244685383163895,-0.9244685383163895,v0,hcp,45.61845651,0.0010215308,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.05781575342278204,-0.05781575342278204,v0,hcp,46.0174991575,0.0011626357,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,46.0441199123342,0.00313194240324945,30.0,1.0,0.07145356431362619,-0.07145356431362619,v0,hcp,46.0112197475,0.0015794357000000001,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.05745854603057134,-0.05745854603057134,v0,hcp,46.0176636305,0.0010057957,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.032050495182215914,-0.032050495182215914,v0,hcp,46.02936254390001,0.0013963799,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.036283753638941034,-0.036283753638941034,v0,hcp,46.02741337729999,0.001509625,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.6166318899999998, -1.61595209, -1.61403753, -1.61105995, -1.60703774, -1.60204374, -1.59615494]",PBE,46.0441199123342,0.00313194240324945,4.0,1.0,1.9281227288620237,-1.9281227288620237,v0,hcp,45.156332771,0.007850834899999999,"[43.3156714446, 43.7716258808, 44.2275803171, 44.6835347533, 45.1394891896, 45.5954436259, 46.0513980621, 46.5073524984, 46.9633069346, 47.4192613709, 47.8752158071]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,46.0441199123342,0.00313194240324945,46.0,1.0,0.03567271622407865,-0.03567271622407865,v0,hcp,46.0276947241,0.0007347232,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46200833, -1.46898693, -1.47421793, -1.47788187, -1.48006716, -1.48092618, -1.48052526, -1.47895401, -1.47630737, -1.47316931, -1.46883501]",PBE,46.0441199123342,0.00313194240324945,8.0,1.0,2.310625758424381,-2.310625758424381,v0,hcp,44.9802126174,0.007612560999999999,"[42.6624196591, 43.1114977607, 43.5605758624, 44.0096539641, 44.4587320658, 44.9078101674, 45.3568882691, 45.8059663708, 46.2550444725, 46.7041225741, 47.1532006758]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,46.0441199123342,0.00313194240324945,50.0,1.0,0.011671344667758213,-0.011671344667758213,v0,hcp,46.0387459444,0.0005946874,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4725604300000001, -1.47965776, -1.48501541, -1.48875771, -1.49099117, -1.4918505, -1.49146296, -1.48995628, -1.48740818, -1.48381529, -1.47925884]",PBE,46.0441199123342,0.00313194240324945,26.0,1.0,0.1146569567074401,-0.1146569567074401,v0,hcp,45.991327125699996,0.0024908954,"[43.6081351878, 44.0671681898, 44.5262011918, 44.9852341937, 45.4442671957, 45.9033001977, 46.3623331997, 46.8213662016, 47.2803992036, 47.7394322056, 48.1984652076]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,46.0441199123342,0.00313194240324945,48.0,1.0,0.020362608845724644,-0.020362608845724644,v0,hcp,46.0347441283,0.0006554177000000001,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47264328, -1.47973214, -1.48509014, -1.48883377, -1.49106749, -1.49192013, -1.49153814, -1.490025, -1.48744174, -1.48381886, -1.47931048]",PBE,46.0441199123342,0.00313194240324945,28.0,1.0,0.08117552079476908,-0.08117552079476908,v0,hcp,46.0067433582,0.0015173995000000002,"[43.625091706, 44.0843031977, 44.5435146893, 45.002726181, 45.4619376726, 45.9211491643, 46.3803606559, 46.8395721475, 47.2987836392, 47.7579951308, 48.2172066225]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47258926, -1.47965004, -1.48498406, -1.48869775, -1.4909218499999999, -1.49178431, -1.49142237, -1.48988404, -1.4872415, -1.48361596, -1.4790589600000001]",PBE,46.0441199123342,0.00313194240324945,36.0,1.0,0.058454540743622864,-0.058454540743622864,v0,hcp,46.017205033500005,0.0010100545,"[43.6366359219, 44.0959689316, 44.5553019413, 45.014634951, 45.4739679607, 45.9333009705, 46.3926339802, 46.8519669899, 47.3112999996, 47.7706330093, 48.229966019]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47751101, -1.4843743200000001, -1.48951528, -1.49304423, -1.49506802, -1.49569212, -1.4950246200000001, -1.49319559, -1.49028296, -1.48634833, -1.4814803699999999]",PBE,46.0441199123342,0.00313194240324945,12.0,1.0,0.0820582442182319,0.0820582442182319,v0,hcp,46.0819029087,0.0012030977,"[43.7863508773, 44.2472598339, 44.7081687905, 45.1690777471, 45.6299867037, 46.0908956603, 46.5518046169, 47.0127135735, 47.4736225301, 47.9345314867, 48.3954404433]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47419539, -1.48125544, -1.48657913, -1.49028585, -1.49247961, -1.49327322, -1.49277789, -1.49109965, -1.4883302, -1.48454526, -1.4800174799999999]",PBE,46.0441199123342,0.00313194240324945,18.0,1.0,0.20893503017839177,-0.20893503017839177,v0,hcp,45.94791761649999,0.0037167634000000002,"[43.6056415294, 44.0646482823, 44.5236550352, 44.9826617882, 45.4416685411, 45.9006752941, 46.359682047, 46.8186887999, 47.2776955529, 47.7367023058, 48.1957090588]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.48414083, -1.49106235, -1.4962661800000001, -1.4998649400000001, -1.50198878, -1.50274941, -1.50226074, -1.50057207, -1.49775604, -1.49392491, -1.48917053]",PBE,46.0441199123342,0.00313194240324945,10.0,1.0,0.9244685383163895,-0.9244685383163895,v0,hcp,45.61845651,0.0010215308,"[43.2999179612, 43.7557065713, 44.2114951814, 44.6672837915, 45.1230724016, 45.5788610118, 46.0346496219, 46.490438232, 46.9462268421, 47.4020154522, 47.8578040623]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47254886, -1.47964915, -1.48501226, -1.48875768, -1.49099353, -1.49185635, -1.49146021, -1.4899539, -1.48740849, -1.48381665, -1.47926269]",PBE,46.0441199123342,0.00313194240324945,26.0,1.0,0.11129406345863851,-0.11129406345863851,v0,hcp,45.9928755403,0.0025124551000000003,"[43.6097538494, 44.0688038899, 44.5278539305, 44.986903971, 45.4459540115, 45.905004052, 46.3640540925, 46.8231041331, 47.2821541736, 47.7412042141, 48.2002542546]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4491026, -1.45507617, -1.4593897999999998, -1.46217113, -1.46352022, -1.46353771, -1.4623715, -1.4601323, -1.45692236, -1.45280257, -1.44784048]",PBE,46.0441199123342,0.00313194240324945,6.0,1.0,0.9531762474804757,0.9531762474804757,v0,hcp,46.4830015267,0.0018575985,"[44.3694436803, 44.8364904559, 45.3035372314, 45.770584007, 46.2376307826, 46.7046775582, 47.1717243338, 47.6387711094, 48.1058178849, 48.5728646605, 49.0399114361]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277405, -1.4798212400000001, -1.48513645, -1.48883879, -1.49103724, -1.49186363, -1.49147031, -1.48989493, -1.4872417900000001, -1.4835556699999999, -1.47896634]",PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.05781575342278204,-0.05781575342278204,v0,hcp,46.0174991575,0.0011626357,"[43.6473826304, 44.1068287633, 44.5662748963, 45.0257210292, 45.4851671622, 45.9446132951, 46.4040594281, 46.863505561, 47.322951694, 47.782397827, 48.2418439599]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4775239500000001, -1.48438838, -1.4895315500000001, -1.4930644100000001, -1.4950927, -1.49571947, -1.49505467, -1.49322535, -1.4903094700000001, -1.48638287, -1.48151273]",PBE,46.0441199123342,0.00313194240324945,12.0,1.0,0.08908496403860243,0.08908496403860243,v0,hcp,46.0851383,0.0012747888,"[43.7885956334, 44.249528219, 44.7104608046, 45.1713933902, 45.6323259758, 46.0932585615, 46.5541911471, 47.0151237327, 47.4760563183, 47.9369889039, 48.3979214895]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47368882, -1.4807454500000001, -1.48608086, -1.48980365, -1.49203909, -1.49290275, -1.49250327, -1.49093165, -1.4882731200000001, -1.48463937, -1.48020731]",PBE,46.0441199123342,0.00313194240324945,16.0,1.0,0.6391690389446851,-0.6391690389446851,v0,hcp,45.7498201536,0.0025927180000000004,"[43.3895389736, 43.8462709628, 44.303002952, 44.7597349412, 45.2164669304, 45.6731989196, 46.1299309088, 46.586662898, 47.0433948872, 47.5001268764, 47.9568588656]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4726316, -1.47968711, -1.48501129, -1.48872305, -1.49092532, -1.4917536999999998, -1.49134471, -1.48980901, -1.4871663800000001, -1.4835321399999999, -1.47894361]",PBE,46.0441199123342,0.00313194240324945,30.0,1.0,0.07145356431362619,-0.07145356431362619,v0,hcp,46.0112197475,0.0015794357000000001,"[43.6389819102, 44.0983396145, 44.5576973189, 45.0170550232, 45.4764127275, 45.9357704318, 46.3951281361, 46.8544858404, 47.3138435448, 47.7732012491, 48.2325589534]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47368127, -1.48074573, -1.48608176, -1.48980492, -1.49203854, -1.49290502, -1.4925036999999999, -1.49093251, -1.48827001, -1.48464087, -1.4802091]",PBE,46.0441199123342,0.00313194240324945,16.0,1.0,0.6402064558850237,-0.6402064558850237,v0,hcp,45.7493424841,0.0025791520000000004,"[43.3893939719, 43.8461244347, 44.3028548976, 44.7595853604, 45.2163158233, 45.6730462862, 46.129776749, 46.5865072119, 47.0432376748, 47.4999681376, 47.9566986005]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47277813, -1.47981811, -1.4851334999999999, -1.48883601, -1.49103465, -1.49186799, -1.4914680599999999, -1.4898928, -1.48723982, -1.48355386, -1.47896462]",PBE,46.0441199123342,0.00313194240324945,34.0,1.0,0.05745854603057134,-0.05745854603057134,v0,hcp,46.0176636305,0.0010057957,"[43.6472944877, 44.1067396928, 44.566184898, 45.0256301031, 45.4850753082, 45.9445205134, 46.4039657185, 46.8634109236, 47.3228561288, 47.7823013339, 48.241746539]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47263346, -1.4797303099999999, -1.4850892500000001, -1.4888337200000001, -1.49106707, -1.4919255900000001, -1.4915402, -1.49002112, -1.48743692, -1.48381838, -1.47930773]",PBE,46.0441199123342,0.00313194240324945,28.0,1.0,0.07585219676410354,-0.07585219676410354,v0,hcp,46.0091944359,0.0013242989,"[43.6277668514, 44.0870065025, 44.5462461536, 45.0054858046, 45.4647254557, 45.9239651068, 46.3832047578, 46.8424444089, 47.30168406, 47.760923711, 48.2201633621]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47251956, -1.47955431, -1.48483692, -1.48852652, -1.4907230999999999, -1.4915469, -1.49114156, -1.4895897900000001, -1.4869472400000001, -1.48328238, -1.47868666]",PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.032050495182215914,-0.032050495182215914,v0,hcp,46.02936254390001,0.0013963799,"[43.6580129637, 44.1175709949, 44.5771290261, 45.0366870573, 45.4962450885, 45.9558031196, 46.4153611508, 46.874919182, 47.3344772132, 47.7940352444, 48.2535932756]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.48389945, -1.4908616399999999, -1.4961114100000001, -1.49975423, -1.50192557, -1.5027320899999999, -1.50228714, -1.50063987, -1.49785798, -1.49406404, -1.4893497199999999]",PBE,46.0441199123342,0.00313194240324945,10.0,1.0,0.9429027987956041,-0.9429027987956041,v0,hcp,45.609968617,0.0011410644,"[43.2768079599, 43.7323533068, 44.1878986538, 44.6434440007, 45.0989893477, 45.5545346946, 46.0100800416, 46.4656253885, 46.9211707355, 47.3767160824, 47.8322614294]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47256308, -1.47960346, -1.48491866, -1.4886238, -1.49082522, -1.49168313, -1.49127579, -1.48970189, -1.4870569599999999, -1.483409, -1.47883439]",PBE,46.0441199123342,0.00313194240324945,44.0,1.0,0.05752977662429964,-0.05752977662429964,v0,hcp,46.01763083300001,0.0005106317,"[43.6451226195, 44.1045449629, 44.5639673063, 45.0233896496, 45.482811993, 45.9422343364, 46.4016566797, 46.8610790231, 47.3205013664, 47.7799237098, 48.2393460532]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4741950799999999, -1.48125519, -1.48657894, -1.4902857200000001, -1.49247954, -1.4932732, -1.49277791, -1.49109997, -1.4883302999999999, -1.48454542, -1.48001761]",PBE,46.0441199123342,0.00313194240324945,18.0,1.0,0.2089350151927444,-0.2089350151927444,v0,hcp,45.9479176234,0.0037160865,"[43.6056160924, 44.0646225776, 44.5236290628, 44.982635548, 45.4416420332, 45.9006485183, 46.3596550035, 46.8186614887, 47.2776679739, 47.7366744591, 48.1956809443]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47253953, -1.47956588, -1.4848381, -1.48853142, -1.49072803, -1.49154983, -1.4911518, -1.48960463, -1.48695565, -1.4832903800000001, -1.47868655]",PBE,46.0441199123342,0.00313194240324945,32.0,1.0,0.036283753638941034,-0.036283753638941034,v0,hcp,46.02741337729999,0.001509625,"[43.6551535703, 44.1146815026, 44.574209435, 45.0337373673, 45.4932652996, 45.9527932319, 46.4123211642, 46.8718490966, 47.3313770289, 47.7909049612, 48.2504328935]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.46920899, -1.4762564, -1.48157502, -1.48530964, -1.48760641, -1.48854097, -1.48822567, -1.48674992, -1.48418718, -1.48063483, -1.47618363]",PBE,46.0441199123342,0.00313194240324945,14.0,1.0,0.6185623575311467,-0.6185623575311467,v0,hcp,45.7593083187,0.0007477358000000001,"[43.369329068, 43.8258483214, 44.2823675747, 44.7388868281, 45.1954060814, 45.6519253348, 46.1084445881, 46.5649638415, 47.0214830948, 47.4780023482, 47.9345216015]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.46920616, -1.47624971, -1.48157328, -1.48531097, -1.48760136, -1.48854321, -1.48822814, -1.4867505699999999, -1.4841902999999999, -1.4806362, -1.47618746]",PBE,46.0441199123342,0.00313194240324945,14.0,1.0,0.6181360885517986,-0.6181360885517986,v0,hcp,45.7595045905,0.0007279342,"[43.3691779353, 43.8256955978, 44.2822132603, 44.7387309227, 45.1952485852, 45.6517662477, 46.1082839102, 46.5648015726, 47.0213192351, 47.4778368976, 47.9343545601]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47277971, -1.47978388, -1.48506766, -1.4887375999999999, -1.49090549, -1.49172595, -1.49128494, -1.48968132, -1.48699068, -1.48329918, -1.47866107]",PBE,46.0441199123342,0.00313194240324945,46.0,1.0,0.03567271622407865,-0.03567271622407865,v0,hcp,46.0276947241,0.0007347232,"[43.6665500064, 44.1261979012, 44.585845796, 45.0454936908, 45.5051415856, 45.9647894804, 46.4244373752, 46.88408527, 47.3437331648, 47.8033810596, 48.2630289544]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47278157, -1.47983103, -1.48514271, -1.48884499, -1.49104191, -1.49187555, -1.4914466100000001, -1.48992005, -1.48734021, -1.48378209, -1.47924576]",PBE,46.0441199123342,0.00313194240324945,24.0,1.0,0.20759358462315905,-0.20759358462315905,v0,hcp,45.9485352733,0.0020673347,"[43.5788917093, 44.0376168852, 44.4963420611, 44.955067237, 45.4137924129, 45.8725175888, 46.3312427647, 46.7899679406, 47.2486931165, 47.7074182923, 48.1661434682]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.6033605, -1.6092512, -1.61344872, -1.61603773, -1.61663193, -1.61595212, -1.61403747, -1.61105998, -1.6070376400000002, -1.60204376, -1.5961549700000002]",PBE,46.0441199123342,0.00313194240324945,4.0,1.0,1.9281263386606264,-1.9281263386606264,v0,hcp,45.156331108900005,0.0078505666,"[43.3156737275, 43.7716281878, 44.2275826481, 44.6835371084, 45.1394915687, 45.595446029, 46.0514004893, 46.5073549496, 46.9633094099, 47.4192638702, 47.8752183304]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47250511, -1.47955334, -1.4848715700000001, -1.48857687, -1.49077632, -1.49161698, -1.4912308699999999, -1.48967082, -1.4870215500000001, -1.48338265, -1.47881358]",PBE,46.0441199123342,0.00313194240324945,38.0,1.0,0.07218447349516406,-0.07218447349516406,v0,hcp,46.0108832068,0.0009476865,"[43.6379902895, 44.0973375557, 44.5566848219, 45.0160320881, 45.4753793543, 45.9347266205, 46.3940738867, 46.8534211529, 47.3127684191, 47.7721156853, 48.2314629515]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47224645, -1.4793327600000001, -1.4846970800000001, -1.48844578, -1.49070272, -1.4915945, -1.49121235, -1.4897417800000001, -1.48720548, -1.4837204, -1.47929647]",PBE,46.0441199123342,0.00313194240324945,22.0,1.0,0.2151576649153577,-0.2151576649153577,v0,hcp,45.9450524591,0.0015071799,"[43.5570606261, 44.0155560011, 44.4740513761, 44.9325467512, 45.3910421262, 45.8495375012, 46.3080328762, 46.7665282512, 47.2250236262, 47.6835190012, 48.1420143762]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.4491043399999999, -1.45507773, -1.4593915, -1.46217273, -1.46352167, -1.46353505, -1.46237094, -1.46012765, -1.45691781, -1.45280036, -1.44784234]",PBE,46.0441199123342,0.00313194240324945,6.0,1.0,0.951793009618143,0.951793009618143,v0,hcp,46.482364626999995,0.0019293911,"[44.3694238924, 44.8364704597, 45.303517027, 45.7705635942, 46.2376101615, 46.7046567288, 47.1717032961, 47.6387498634, 48.1057964307, 48.572842998, 49.0398895653]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47260962, -1.47964578, -1.4849575, -1.48865888, -1.49086192, -1.4917186999999998, -1.49131514, -1.48974686, -1.48709304, -1.4834352800000001, -1.47882969]",PBE,46.0441199123342,0.00313194240324945,46.0,1.0,0.07230853081261349,-0.07230853081261349,v0,hcp,46.010826085699996,0.0007330564000000001,"[43.6379054624, 44.0972518357, 44.5565982089, 45.0159445822, 45.4752909555, 45.9346373288, 46.3939837021, 46.8533300754, 47.3126764487, 47.772022822, 48.2313691952]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47303172, -1.48007318, -1.48539175, -1.48909485, -1.49129414, -1.4921237, -1.49167236, -1.49003177, -1.48736218, -1.48375546, -1.47921938]",PBE,46.0441199123342,0.00313194240324945,20.0,1.0,0.14115347270822676,-0.14115347270822676,v0,hcp,45.9791270381,0.0022449913,"[43.6209253749, 44.0800930104, 44.5392606459, 44.9984282814, 45.457595917, 45.9167635525, 46.375931188, 46.8350988235, 47.294266459, 47.7534340946, 48.2126017301]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727578000000001, -1.47977529, -1.48506279, -1.48874839, -1.49092482, -1.49174505, -1.49130159, -1.48969938, -1.48701099, -1.48331117, -1.47868357]",PBE,46.0441199123342,0.00313194240324945,50.0,1.0,0.011671344667758213,-0.011671344667758213,v0,hcp,46.0387459444,0.0005946874,"[43.6764183493, 44.1361701214, 44.5959218935, 45.0556736656, 45.5154254377, 45.9751772098, 46.4349289819, 46.894680754, 47.3544325261, 47.8141842982, 48.2739360703]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Cd,"[-1.47316289, -1.48018386, -1.48547569, -1.48915478, -1.4913422, -1.49214289, -1.49166637, -1.49000548, -1.48726783, -1.48363946, -1.47905523]",PBE,46.0441199123342,0.00313194240324945,20.0,1.0,0.09032260734568733,-0.09032260734568733,v0,hcp,46.00253166270001,0.0025214766,"[43.6522349971, 44.1117322076, 44.5712294181, 45.0307266286, 45.4902238391, 45.9497210495, 46.40921826, 46.8687154705, 47.328212681, 47.7877098915, 48.247207102]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.4727847, -1.47980149, -1.48509667, -1.48877785, -1.49096272, -1.49177991, -1.49133954, -1.48974026, -1.48705264, -1.48335601, -1.47872145]",PBE,46.0441199123342,0.00313194240324945,48.0,1.0,0.020362608845724644,-0.020362608845724644,v0,hcp,46.0347441283,0.0006554177000000001,"[43.6718513818, 44.1315550805, 44.5912587793, 45.050962478, 45.5106661768, 45.9703698755, 46.4300735743, 46.889777273, 47.3494809718, 47.8091846706, 48.2688883693]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47278398, -1.47982889, -1.48514065, -1.48884286, -1.49104661, -1.49187357, -1.4914443099999999, -1.48992199, -1.48734234, -1.4837842, -1.47924764]",PBE,46.0441199123342,0.00313194240324945,24.0,1.0,0.2068418725681669,-0.2068418725681669,v0,hcp,45.9488813925,0.0021616803,"[43.5789563581, 44.0376822145, 44.4964080709, 44.9551339273, 45.4138597837, 45.8725856401, 46.3313114965, 46.7900373529, 47.2487632093, 47.7074890657, 48.166214922099996]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Cd,"[-1.47225011, -1.47933434, -1.48469553, -1.48844393, -1.49070302, -1.49159213, -1.49120977, -1.4897391500000001, -1.48720451, -1.48371728, -1.47929566]",PBE,46.0441199123342,0.00313194240324945,22.0,1.0,0.21527328858261238,-0.21527328858261238,v0,hcp,45.9449992212,0.0015124257,"[43.5570512498, 44.0155465262, 44.4740418025, 44.9325370788, 45.3910323551, 45.8495276314, 46.3080229077, 46.766518184, 47.2250134604, 47.6835087367, 48.142004013]" +0,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Cr,"[-9.461096359999999, -9.47035887, -9.47731284, -9.48209123, -9.48479582, -9.48554223, -9.48442129, -9.481542, -9.47698245, -9.47084336, -9.46320268]",PBE,262.08993113070204,0.00557948097885161,12.0,1.0,0.013026881822843497,0.013026881822843497,B,FindHistory,262.1240732763,0.045819174000000004,"[10.8409801975, 10.9550957785, 11.0692113595, 11.1833269406, 11.2974425216, 11.4115581026, 11.5256736836, 11.6397892647, 11.7539048457, 11.8680204267, 11.9821360077]" +1,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Cr,"[-9.46059886, -9.47004524, -9.47718848, -9.48214283, -9.48501989, -9.48593046, -9.48497575, -9.48224935, -9.47784306, -9.47184857, -9.46434957]",PBE,262.08993113070204,0.00557948097885161,28.0,1.0,0.003109583402451037,0.003109583402451037,B,FindHistory,262.0980810357,0.046424620300000004,"[10.8319370943, 10.945957484800001, 11.0599778752, 11.1739982657, 11.2880186562, 11.4020390466, 11.516059437100001, 11.6300798276, 11.744100218, 11.8581206085, 11.972140999]" +2,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Cr,"[-9.4605384, -9.47000795, -9.47717083, -9.4821427, -9.48504025, -9.48596808, -9.48502925, -9.4823193, -9.47793365, -9.47195208, -9.4644677]",PBE,262.08993113070204,0.00557948097885161,38.0,1.0,0.005780300194128432,0.005780300194128432,B,FindHistory,262.1050807155,0.0385617872,"[10.8308412838, 10.9448501394, 11.0588589951, 11.1728678507, 11.2868767063, 11.400885561900001, 11.5148944175, 11.6289032731, 11.7429121288, 11.8569209844, 11.97092984]" +3,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Cr,"[-9.45627727, -9.46544538, -9.47234749, -9.47709366, -9.4797722, -9.48048222, -9.47933142, -9.47641781, -9.47183322, -9.46566043, -9.45797825]",PBE,262.08993113070204,0.00557948097885161,10.0,1.0,0.188254430215419,-0.188254430215419,B,FindHistory,261.59653522419995,0.11022281,"[10.8549515738, 10.9692142219, 11.08347687, 11.1977395182, 11.3120021663, 11.4262648145, 11.5405274626, 11.6547901108, 11.7690527589, 11.8833154071, 11.9975780552]" +4,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Cr,"[-9.46050143, -9.46998265, -9.47715786, -9.48214154, -9.4850486, -9.48599044, -9.4850603, -9.48236428, -9.47798393, -9.47201401, -9.46453833]",PBE,262.08993113070204,0.00557948097885161,54.0,1.0,0.006322452421746348,0.006322452421746348,B,FindHistory,262.10650164189997,0.0403944485,"[10.8302162974, 10.9442185742, 11.058220851, 11.1722231279, 11.2862254047, 11.4002276815, 11.5142299583, 11.6282322351, 11.7422345119, 11.8562367887, 11.9702390656]" +5,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Cr,"[-9.46054961, -9.47001087, -9.477165, -9.48212948, -9.48502093, -9.48594467, -9.48499896, -9.48228664, -9.47789277, -9.4719111, -9.46441983]",PBE,262.08993113070204,0.00557948097885161,34.0,1.0,0.012571883879655094,-0.012571883879655094,B,FindHistory,262.0569814889,0.0369006669,"[10.8312904913, 10.9453040754, 11.0593176595, 11.1733312437, 11.2873448278, 11.4013584119, 11.515371996, 11.6293855801, 11.7433991642, 11.8574127484, 11.9714263325]" +6,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Cr,"[-9.46050264, -9.46998596, -9.47715945, -9.48214386, -9.48505086, -9.48599168, -9.48506601, -9.48236565, -9.47799002, -9.47201809, -9.46454207]",PBE,262.08993113070204,0.00557948097885161,52.0,1.0,0.005911466125818943,0.005911466125818943,B,FindHistory,262.1054244882,0.0346449386,"[10.8301608468, 10.9441625399, 11.058164233, 11.1721659261, 11.2861676193, 11.4001693124, 11.5141710055, 11.6281726986, 11.7421743918, 11.8561760849, 11.970177778]" +7,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Cr,"[-9.46062184, -9.47000991, -9.47708984, -9.48198828, -9.48481107, -9.48567251, -9.48466683, -9.48189278, -9.47744353, -9.47140914, -9.46386849]",PBE,262.08993113070204,0.00557948097885161,20.0,1.0,0.044236730996048634,-0.044236730996048634,B,FindHistory,261.9739911129,0.0427325283,"[10.8349469889, 10.9489990625, 11.0630511361, 11.1771032096, 11.2911552832, 11.4052073568, 11.5192594304, 11.6333115039, 11.7473635775, 11.8614156511, 11.9754677246]" +8,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Cr,"[-9.46049311, -9.46997783, -9.47715106, -9.48213677, -9.4850507, -9.48599395, -9.48506454, -9.48236864, -9.47799191, -9.47202674, -9.46455256]",PBE,262.08993113070204,0.00557948097885161,58.0,1.0,0.0033531872682555637,-0.0033531872682555637,B,FindHistory,262.0811427645,0.0470711841,"[10.8300886885, 10.9440896221, 11.0580905557, 11.1720914892, 11.2860924228, 11.4000933564, 11.514094289900001, 11.6280952235, 11.7420961571, 11.8560970906, 11.9700980242]" +9,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Cr,"[-9.452924490000001, -9.46199675, -9.46877611, -9.47338323, -9.4759399, -9.47653187, -9.47528705, -9.472277590000001, -9.46761404, -9.46135736, -9.45361178]",PBE,262.08993113070204,0.00557948097885161,6.0,1.0,0.20931361099425827,-0.20931361099425827,B,FindHistory,261.5413412318,0.0342307145,"[10.8430031514, 10.9571400267, 11.071276902, 11.1854137772, 11.2995506525, 11.4136875278, 11.5278244031, 11.6419612784, 11.7560981536, 11.8702350289, 11.9843719042]" +10,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Cr,"[-9.45763634, -9.46687933, -9.47381659, -9.47855912, -9.48122394, -9.48192675, -9.48076092, -9.47781924, -9.47320553, -9.46700622, -9.45930224]",PBE,262.08993113070204,0.00557948097885161,8.0,1.0,0.29353436046891923,0.29353436046891923,B,FindHistory,262.8592551339,0.0504987582,"[10.8524475372, 10.9666838271, 11.080920117, 11.1951564068, 11.3093926967, 11.4236289865, 11.5378652764, 11.6521015663, 11.7663378561, 11.880574146, 11.9948104359]" +11,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Cr,"[-9.46055092, -9.47001938, -9.47717862, -9.48215165, -9.48504646, -9.48597449, -9.48503344, -9.48232559, -9.47793955, -9.47196079, -9.46447287]",PBE,262.08993113070204,0.00557948097885161,36.0,1.0,0.007817876945382501,-0.007817876945382501,B,FindHistory,262.0694412624,0.031839058600000004,"[10.830816227, 10.9448248189, 11.0588334108, 11.1728420026, 11.2868505945, 11.4008591864, 11.5148677782, 11.6288763701, 11.7428849619, 11.856893553799999, 11.9709021457]" +12,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Cr,"[-9.46060194, -9.47005081, -9.47718999, -9.48214122, -9.48501834, -9.48592665, -9.48497032, -9.48224623, -9.47784603, -9.47185143, -9.46435348]",PBE,262.08993113070204,0.00557948097885161,30.0,1.0,0.031955425468162046,-0.031955425468162046,B,FindHistory,262.0061791781,0.029417393200000006,"[10.831865348000001, 10.9458849832, 11.0599046184, 11.1739242537, 11.2879438889, 11.4019635242, 11.5159831594, 11.6300027947, 11.7440224299, 11.8580420651, 11.9720617004]" +13,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Cr,"[-9.46055201, -9.46998398, -9.47710969, -9.4820439, -9.48490639, -9.48580136, -9.48483169, -9.48208809, -9.47766719, -9.47165805, -9.46414109]",PBE,262.08993113070204,0.00557948097885161,24.0,1.0,0.01852877509962408,0.01852877509962408,B,FindHistory,262.1384931846,0.0385107859,"[10.8331814044, 10.9472148929, 11.0612483814, 11.1752818698, 11.2893153583, 11.4033488468, 11.5173823352, 11.6314158237, 11.7454493122, 11.8594828006, 11.9735162891]" +14,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Cr,"[-9.4606968, -9.47005767, -9.47711719, -9.48198511, -9.48478662, -9.48561913, -9.48459012, -9.48179385, -9.47731972, -9.47126231, -9.46369498]",PBE,262.08993113070204,0.00557948097885161,16.0,1.0,0.009338388886771893,-0.009338388886771893,B,FindHistory,262.0654561537,0.034944852900000004,"[10.836257764, 10.9503236352, 11.0643895064, 11.1784553776, 11.2925212488, 11.40658712, 11.5206529913, 11.6347188625, 11.748784733699999, 11.8628506049, 11.9769164761]" +15,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Cr,"[-9.46048033, -9.46996766, -9.47714337, -9.48213407, -9.48504854, -9.48599231, -9.48506691, -9.482373280000001, -9.4779988, -9.47203538, -9.46456274]",PBE,262.08993113070204,0.00557948097885161,68.0,1.0,0.0017958538055028483,-0.0017958538055028483,B,FindHistory,262.0852243787,0.0432425792,"[10.8299316879, 10.9439309689, 11.0579302498, 11.1719295307, 11.2859288116, 11.3999280926, 11.5139273735, 11.6279266544, 11.7419259353, 11.8559252163, 11.969924497200001]" +16,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Cr,"[-9.46059483, -9.47005529, -9.47720991, -9.48217673, -9.48506453, -9.48598623, -9.48503967, -9.48232304, -9.47792716, -9.47194366, -9.46444884]",PBE,262.08993113070204,0.00557948097885161,32.0,1.0,0.01352841982330406,0.01352841982330406,B,FindHistory,262.1253877569,0.040037416,"[10.831267328300001, 10.9452806686, 11.0592940089, 11.1733073492, 11.2873206895, 11.4013340298, 11.5153473701, 11.6293607104, 11.7433740507, 11.857387391, 11.9714007312]" +17,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Cr,"[-9.46049183, -9.46997893, -9.47715925, -9.48214444, -9.48505799, -9.48600073, -9.48507568, -9.4823777, -9.47800478, -9.47203893, -9.46456561]",PBE,262.08993113070204,0.00557948097885161,62.0,1.0,0.006039113188998824,0.006039113188998824,B,FindHistory,262.1057590383,0.0387545161,"[10.8299682171, 10.9439678825, 11.057967548, 11.1719672134, 11.2859668788, 11.3999665443, 11.5139662097, 11.6279658752, 11.7419655406, 11.8559652061, 11.9699648715]" +18,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Cr,"[-9.46049697, -9.46998277, -9.4771552, -9.48214233, -9.4850498, -9.48599179, -9.48506684, -9.48236912, -9.47799472, -9.4720276, -9.46455283]",PBE,262.08993113070204,0.00557948097885161,60.0,1.0,0.010592986034311835,-0.010592986034311835,B,FindHistory,262.0621679809,0.0319061512,"[10.8300941567, 10.9440951478, 11.0580961389, 11.17209713, 11.2860981212, 11.4000991123, 11.5141001034, 11.6281010945, 11.742102085700001, 11.8561030768, 11.9701040679]" +19,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Cr,"[-9.46065003, -9.47009403, -9.47722945, -9.4821751, -9.48504663, -9.48595501, -9.48499405, -9.48226448, -9.47785569, -9.47185912, -9.4643532]",PBE,262.08993113070204,0.00557948097885161,26.0,1.0,0.009759936862780228,-0.009759936862780228,B,FindHistory,262.0643513189,0.0319790459,"[10.8319579349, 10.945978544799999, 11.0599991546, 11.1740197644, 11.2880403743, 11.4020609841, 11.516081594, 11.6301022038, 11.7441228136, 11.8581434235, 11.9721640333]" +20,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Cr,"[-9.46048409, -9.46997226, -9.47714705, -9.48213671, -9.48504801, -9.48599023, -9.48506708, -9.48237237, -9.47799819, -9.47203366, -9.46455869]",PBE,262.08993113070204,0.00557948097885161,64.0,1.0,0.0036828148873934725,-0.0036828148873934725,B,FindHistory,262.0802788437,0.0314136223,"[10.8300144345, 10.9440145864, 11.0580147383, 11.1720148903, 11.2860150422, 11.4000151942, 11.5140153461, 11.628015498, 11.74201565, 11.8560158019, 11.9700159539]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Cr,"[-9.46055862, -9.47003149, -9.47719187, -9.48216237, -9.48506386, -9.48599104, -9.48505253, -9.48234206, -9.47795677, -9.47197966, -9.46449544]",PBE,262.08993113070204,0.00557948097885161,40.0,1.0,0.0053930526598439344,-0.0053930526598439344,B,FindHistory,262.0757964827,0.0403435926,"[10.830808776, 10.9448172894, 11.0588258028, 11.1728343163, 11.2868428297, 11.4008513431, 11.5148598566, 11.62886837, 11.7428768834, 11.8568853968, 11.9708939103]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Cr,"[-9.46039675, -9.46978504, -9.47686093, -9.48175378, -9.48457131, -9.48542354, -9.48441605, -9.48168149, -9.47722778, -9.4711817, -9.4636356]",PBE,262.08993113070204,0.00557948097885161,18.0,1.0,0.10359088536164862,-0.10359088536164862,B,FindHistory,261.8184298506,0.0949033327,"[10.8356737575, 10.9497334812, 11.063793205, 11.1778529288, 11.2919126525, 11.4059723763, 11.5200321001, 11.6340918238, 11.7481515476, 11.8622112713, 11.9762709951]" +23,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Cr,"[-9.46048596, -9.46997491, -9.47715558, -9.48214411, -9.48505422, -9.48599864, -9.48507779, -9.48238107, -9.47800769, -9.47204424, -9.46457034]",PBE,262.08993113070204,0.00557948097885161,70.0,1.0,0.0028839360082879724,0.0028839360082879724,B,FindHistory,262.0974896366,0.032299090100000004,"[10.8299355949, 10.943934917, 11.057934239, 11.1719335611, 11.2859328831, 11.3999322052, 11.5139315272, 11.6279308493, 11.7419301713, 11.8559294934, 11.9699288154]" +24,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Cr,"[-9.459616, -9.46894762, -9.47596922, -9.48080426, -9.48356937, -9.48436883, -9.48330715, -9.48047339, -9.47597069, -9.46987863, -9.46227688]",PBE,262.08993113070204,0.00557948097885161,14.0,1.0,0.021666560883501874,0.021666560883501874,B,FindHistory,262.1467170052,0.0254096007,"[10.8404878116, 10.9545982096, 11.0687086076, 11.1828190056, 11.2969294037, 11.4110398017, 11.5251501997, 11.6392605977, 11.7533709957, 11.8674813937, 11.9815917918]" +25,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Cr,"[-9.46048909, -9.46997553, -9.47715253, -9.48214038, -9.4850541, -9.48599694, -9.48507267, -9.48237551, -9.47800339, -9.47203841, -9.46456569]",PBE,262.08993113070204,0.00557948097885161,66.0,1.0,0.004525675538478672,-0.004525675538478672,B,FindHistory,262.07806979080004,0.0402232249,"[10.8299692653, 10.9439689418, 11.0579686183, 11.1719682947, 11.2859679712, 11.3999676477, 11.5139673242, 11.6279670007, 11.7419666771, 11.8559663536, 11.9699660301]" +26,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Cr,"[-9.46051799, -9.46999709, -9.47716853, -9.48214991, -9.48505664, -9.48599362, -9.48506126, -9.48236201, -9.47798285, -9.47201307, -9.46453265]",PBE,262.08993113070204,0.00557948097885161,48.0,1.0,0.0009184397476365454,-0.0009184397476365454,B,FindHistory,262.0875239926,0.034733217000000004,"[10.8303520264, 10.944355732, 11.0583594375, 11.172363143, 11.2863668486, 11.4003705541, 11.5143742597, 11.6283779652, 11.7423816708, 11.8563853763, 11.9703890818]" +27,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Cr,"[-9.46050438, -9.46998692, -9.47716127, -9.48214602, -9.48505476, -9.48599603, -9.48506712, -9.48237164, -9.47799266, -9.47202396, -9.46454997]",PBE,262.08993113070204,0.00557948097885161,56.0,1.0,0.0010860268800758747,-0.0010860268800758747,B,FindHistory,262.0870847636,0.0403978805,"[10.8301362915, 10.9441377261, 11.0581391608, 11.1721405954, 11.2861420301, 11.4001434647, 11.5141448993, 11.628146334, 11.7421477686, 11.8561492033, 11.9701506379]" +28,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Cr,"[-9.46068595, -9.47010937, -9.47722725, -9.48215527, -9.48501244, -9.4859008, -9.48492596, -9.48217438, -9.47774723, -9.47173031, -9.46420739]",PBE,262.08993113070204,0.00557948097885161,22.0,1.0,0.03364432438039764,0.03364432438039764,B,FindHistory,262.1781095173,0.0447326726,"[10.8331561417, 10.9471893642, 11.0612225868, 11.1752558093, 11.2892890318, 11.4033222544, 11.5173554769, 11.6313886995, 11.745421922, 11.8594551446, 11.9734883671]" +29,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Cr,"[-9.46052492, -9.47000422, -9.4771731, -9.48215388, -9.48505587, -9.48599026, -9.4850576, -9.48235406, -9.47797269, -9.4720015, -9.46452034]",PBE,262.08993113070204,0.00557948097885161,46.0,1.0,0.003066069979591417,0.003066069979591417,B,FindHistory,262.09796699139997,0.033489125,"[10.8304047966, 10.9444090576, 11.0584133187, 11.1724175797, 11.2864218407, 11.4004261017, 11.5144303627, 11.6284346237, 11.7424388848, 11.8564431458, 11.9704474068]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Cr,"[-9.46051487, -9.469994, -9.47716203, -9.48214523, -9.48504962, -9.48598826, -9.48506044, -9.48235761, -9.47797982, -9.47200594, -9.46452937]",PBE,262.08993113070204,0.00557948097885161,50.0,1.0,0.003810871848056112,-0.003810871848056112,B,FindHistory,262.0799432193,0.0404315543,"[10.8303585149, 10.9443622888, 11.0583660626, 11.1723698364, 11.2863736103, 11.4003773841, 11.514381158, 11.6283849318, 11.7423887057, 11.8563924795, 11.9703962533]" +0,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Cr,"[-9.461096359999999, -9.47035887, -9.47731284, -9.48209123, -9.48479582, -9.48554223, -9.48442129, -9.481542, -9.47698245, -9.47084336, -9.46320268]",PBE,-9.485997249827241,1.79048646604179e-06,12.0,1.0,-0.004739921543291964,-0.004739921543291964,E0,FindHistory,-9.485547621,2.1741e-06,"[10.8409801975, 10.9550957785, 11.0692113595, 11.1833269406, 11.2974425216, 11.4115581026, 11.5256736836, 11.6397892647, 11.7539048457, 11.8680204267, 11.9821360077]" +1,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Cr,"[-9.46059886, -9.47004524, -9.47718848, -9.48214283, -9.48501989, -9.48593046, -9.48497575, -9.48224935, -9.47784306, -9.47184857, -9.46434957]",PBE,-9.485997249827241,1.79048646604179e-06,28.0,1.0,-0.0007350953769428106,-0.0007350953769428106,E0,FindHistory,-9.4859275187,2.1827000000000003e-06,"[10.8319370943, 10.945957484800001, 11.0599778752, 11.1739982657, 11.2880186562, 11.4020390466, 11.516059437100001, 11.6300798276, 11.744100218, 11.8581206085, 11.972140999]" +2,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Cr,"[-9.4605384, -9.47000795, -9.47717083, -9.4821427, -9.48504025, -9.48596808, -9.48502925, -9.4823193, -9.47793365, -9.47195208, -9.4644677]",PBE,-9.485997249827241,1.79048646604179e-06,38.0,1.0,-0.0003427402136522837,-0.0003427402136522837,E0,FindHistory,-9.4859647375,1.8103e-06,"[10.8308412838, 10.9448501394, 11.0588589951, 11.1728678507, 11.2868767063, 11.400885561900001, 11.5148944175, 11.6289032731, 11.7429121288, 11.8569209844, 11.97092984]" +3,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Cr,"[-9.45627727, -9.46544538, -9.47234749, -9.47709366, -9.4797722, -9.48048222, -9.47933142, -9.47641781, -9.47183322, -9.46566043, -9.45797825]",PBE,-9.485997249827241,1.79048646604179e-06,10.0,1.0,-0.05808349277500693,-0.05808349277500693,E0,FindHistory,-9.4804874513,5.2409e-06,"[10.8549515738, 10.9692142219, 11.08347687, 11.1977395182, 11.3120021663, 11.4262648145, 11.5405274626, 11.6547901108, 11.7690527589, 11.8833154071, 11.9975780552]" +4,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Cr,"[-9.46050143, -9.46998265, -9.47715786, -9.48214154, -9.4850486, -9.48599044, -9.4850603, -9.48236428, -9.47798393, -9.47201401, -9.46453833]",PBE,-9.485997249827241,1.79048646604179e-06,54.0,1.0,-0.00012023435112298175,-0.00012023435112298175,E0,FindHistory,-9.4859858444,1.8946e-06,"[10.8302162974, 10.9442185742, 11.058220851, 11.1722231279, 11.2862254047, 11.4002276815, 11.5142299583, 11.6282322351, 11.7422345119, 11.8562367887, 11.9702390656]" +5,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Cr,"[-9.46054961, -9.47001087, -9.477165, -9.48212948, -9.48502093, -9.48594467, -9.48499896, -9.48228664, -9.47789277, -9.4719111, -9.46441983]",PBE,-9.485997249827241,1.79048646604179e-06,34.0,1.0,-0.0005993774375386384,-0.0005993774375386384,E0,FindHistory,-9.4859403929,1.7332e-06,"[10.8312904913, 10.9453040754, 11.0593176595, 11.1733312437, 11.2873448278, 11.4013584119, 11.515371996, 11.6293855801, 11.7433991642, 11.8574127484, 11.9714263325]" +6,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Cr,"[-9.46050264, -9.46998596, -9.47715945, -9.48214386, -9.48505086, -9.48599168, -9.48506601, -9.48236565, -9.47799002, -9.47201809, -9.46454207]",PBE,-9.485997249827241,1.79048646604179e-06,52.0,1.0,-8.90926596037665e-05,-8.90926596037665e-05,E0,FindHistory,-9.485988798500001,1.6249e-06,"[10.8301608468, 10.9441625399, 11.058164233, 11.1721659261, 11.2861676193, 11.4001693124, 11.5141710055, 11.6281726986, 11.7421743918, 11.8561760849, 11.970177778]" +7,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Cr,"[-9.46062184, -9.47000991, -9.47708984, -9.48198828, -9.48481107, -9.48567251, -9.48466683, -9.48189278, -9.47744353, -9.47140914, -9.46386849]",PBE,-9.485997249827241,1.79048646604179e-06,20.0,1.0,-0.00345474090502932,-0.00345474090502932,E0,FindHistory,-9.485669533200001,2.0164e-06,"[10.8349469889, 10.9489990625, 11.0630511361, 11.1771032096, 11.2911552832, 11.4052073568, 11.5192594304, 11.6333115039, 11.7473635775, 11.8614156511, 11.9754677246]" +8,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Cr,"[-9.46049311, -9.46997783, -9.47715106, -9.48213677, -9.4850507, -9.48599395, -9.48506454, -9.48236864, -9.47799191, -9.47202674, -9.46455256]",PBE,-9.485997249827241,1.79048646604179e-06,58.0,1.0,-0.00010248081444745831,-0.00010248081444745831,E0,FindHistory,-9.4859875285,2.2073e-06,"[10.8300886885, 10.9440896221, 11.0580905557, 11.1720914892, 11.2860924228, 11.4000933564, 11.514094289900001, 11.6280952235, 11.7420961571, 11.8560970906, 11.9700980242]" +9,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Cr,"[-9.452924490000001, -9.46199675, -9.46877611, -9.47338323, -9.4759399, -9.47653187, -9.47528705, -9.472277590000001, -9.46761404, -9.46135736, -9.45361178]",PBE,-9.485997249827241,1.79048646604179e-06,6.0,1.0,-0.09942928275054608,-0.09942928275054608,E0,FindHistory,-9.476565390800001,1.6257000000000004e-06,"[10.8430031514, 10.9571400267, 11.071276902, 11.1854137772, 11.2995506525, 11.4136875278, 11.5278244031, 11.6419612784, 11.7560981536, 11.8702350289, 11.9843719042]" +10,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Cr,"[-9.45763634, -9.46687933, -9.47381659, -9.47855912, -9.48122394, -9.48192675, -9.48076092, -9.47781924, -9.47320553, -9.46700622, -9.45930224]",PBE,-9.485997249827241,1.79048646604179e-06,8.0,1.0,-0.04278918831980884,-0.04278918831980884,E0,FindHistory,-9.4819382686,2.4007e-06,"[10.8524475372, 10.9666838271, 11.080920117, 11.1951564068, 11.3093926967, 11.4236289865, 11.5378652764, 11.6521015663, 11.7663378561, 11.880574146, 11.9948104359]" +11,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Cr,"[-9.46055092, -9.47001938, -9.47717862, -9.48215165, -9.48504646, -9.48597449, -9.48503344, -9.48232559, -9.47793955, -9.47196079, -9.46447287]",PBE,-9.485997249827241,1.79048646604179e-06,36.0,1.0,-0.00027753041190648126,-0.00027753041190648126,E0,FindHistory,-9.4859709233,1.4948e-06,"[10.830816227, 10.9448248189, 11.0588334108, 11.1728420026, 11.2868505945, 11.4008591864, 11.5148677782, 11.6288763701, 11.7428849619, 11.856893553799999, 11.9709021457]" +12,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Cr,"[-9.46060194, -9.47005081, -9.47718999, -9.48214122, -9.48501834, -9.48592665, -9.48497032, -9.48224623, -9.47784603, -9.47185143, -9.46435348]",PBE,-9.485997249827241,1.79048646604179e-06,30.0,1.0,-0.0007658206652239135,-0.0007658206652239135,E0,FindHistory,-9.4859246041,1.3831e-06,"[10.831865348000001, 10.9458849832, 11.0599046184, 11.1739242537, 11.2879438889, 11.4019635242, 11.5159831594, 11.6300027947, 11.7440224299, 11.8580420651, 11.9720617004]" +13,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Cr,"[-9.46055201, -9.46998398, -9.47710969, -9.4820439, -9.48490639, -9.48580136, -9.48483169, -9.48208809, -9.47766719, -9.47165805, -9.46414109]",PBE,-9.485997249827241,1.79048646604179e-06,24.0,1.0,-0.0020909233053508476,-0.0020909233053508476,E0,FindHistory,-9.4857989049,1.8129e-06,"[10.8331814044, 10.9472148929, 11.0612483814, 11.1752818698, 11.2893153583, 11.4033488468, 11.5173823352, 11.6314158237, 11.7454493122, 11.8594828006, 11.9735162891]" +14,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Cr,"[-9.4606968, -9.47005767, -9.47711719, -9.48198511, -9.48478662, -9.48561913, -9.48459012, -9.48179385, -9.47731972, -9.47126231, -9.46369498]",PBE,-9.485997249827241,1.79048646604179e-06,16.0,1.0,-0.003978198783983027,-0.003978198783983027,E0,FindHistory,-9.485619878,1.6515e-06,"[10.836257764, 10.9503236352, 11.0643895064, 11.1784553776, 11.2925212488, 11.40658712, 11.5206529913, 11.6347188625, 11.748784733699999, 11.8628506049, 11.9769164761]" +15,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Cr,"[-9.46048033, -9.46996766, -9.47714337, -9.48213407, -9.48504854, -9.48599231, -9.48506691, -9.482373280000001, -9.4779988, -9.47203538, -9.46456274]",PBE,-9.485997249827241,1.79048646604179e-06,68.0,1.0,-0.00010144349600145455,-0.00010144349600145455,E0,FindHistory,-9.4859876269,2.0273e-06,"[10.8299316879, 10.9439309689, 11.0579302498, 11.1719295307, 11.2859288116, 11.3999280926, 11.5139273735, 11.6279266544, 11.7419259353, 11.8559252163, 11.969924497200001]" +16,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Cr,"[-9.46059483, -9.47005529, -9.47720991, -9.48217673, -9.48506453, -9.48598623, -9.48503967, -9.48232304, -9.47792716, -9.47194366, -9.46444884]",PBE,-9.485997249827241,1.79048646604179e-06,32.0,1.0,-0.00015560227196827848,-0.00015560227196827848,E0,FindHistory,-9.485982489400001,1.8808e-06,"[10.831267328300001, 10.9452806686, 11.0592940089, 11.1733073492, 11.2873206895, 11.4013340298, 11.5153473701, 11.6293607104, 11.7433740507, 11.857387391, 11.9714007312]" +17,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Cr,"[-9.46049183, -9.46997893, -9.47715925, -9.48214444, -9.48505799, -9.48600073, -9.48507568, -9.4823777, -9.47800478, -9.47203893, -9.46456561]",PBE,-9.485997249827241,1.79048646604179e-06,62.0,1.0,-6.751290594565838e-06,-6.751290594565838e-06,E0,FindHistory,-9.4859966094,1.8171000000000001e-06,"[10.8299682171, 10.9439678825, 11.057967548, 11.1719672134, 11.2859668788, 11.3999665443, 11.5139662097, 11.6279658752, 11.7419655406, 11.8559652061, 11.9699648715]" +18,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Cr,"[-9.46049697, -9.46998277, -9.4771552, -9.48214233, -9.4850498, -9.48599179, -9.48506684, -9.48236912, -9.47799472, -9.4720276, -9.46455283]",PBE,-9.485997249827241,1.79048646604179e-06,60.0,1.0,-8.909687636452362e-05,-8.909687636452362e-05,E0,FindHistory,-9.4859887981,1.4962e-06,"[10.8300941567, 10.9440951478, 11.0580961389, 11.17209713, 11.2860981212, 11.4000991123, 11.5141001034, 11.6281010945, 11.742102085700001, 11.8561030768, 11.9701040679]" +19,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Cr,"[-9.46065003, -9.47009403, -9.47722945, -9.4821751, -9.48504663, -9.48595501, -9.48499405, -9.48226448, -9.47785569, -9.47185912, -9.4643532]",PBE,-9.485997249827241,1.79048646604179e-06,26.0,1.0,-0.0004842877984462074,-0.0004842877984462074,E0,FindHistory,-9.485951310299999,1.5040000000000001e-06,"[10.8319579349, 10.945978544799999, 11.0599991546, 11.1740197644, 11.2880403743, 11.4020609841, 11.516081594, 11.6301022038, 11.7441228136, 11.8581434235, 11.9721640333]" +20,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Cr,"[-9.46048409, -9.46997226, -9.47714705, -9.48213671, -9.48504801, -9.48599023, -9.48506708, -9.48237237, -9.47799819, -9.47203366, -9.46455869]",PBE,-9.485997249827241,1.79048646604179e-06,64.0,1.0,-9.952487854586914e-05,-9.952487854586914e-05,E0,FindHistory,-9.4859878089,1.4729e-06,"[10.8300144345, 10.9440145864, 11.0580147383, 11.1720148903, 11.2860150422, 11.4000151942, 11.5140153461, 11.628015498, 11.74201565, 11.8560158019, 11.9700159539]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Cr,"[-9.46055862, -9.47003149, -9.47719187, -9.48216237, -9.48506386, -9.48599104, -9.48505253, -9.48234206, -9.47795677, -9.47197966, -9.46449544]",PBE,-9.485997249827241,1.79048646604179e-06,40.0,1.0,-0.00010760415560318994,-0.00010760415560318994,E0,FindHistory,-9.4859870425,1.8938e-06,"[10.830808776, 10.9448172894, 11.0588258028, 11.1728343163, 11.2868428297, 11.4008513431, 11.5148598566, 11.62886837, 11.7428768834, 11.8568853968, 11.9708939103]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Cr,"[-9.46039675, -9.46978504, -9.47686093, -9.48175378, -9.48457131, -9.48542354, -9.48441605, -9.48168149, -9.47722778, -9.4711817, -9.4636356]",PBE,-9.485997249827241,1.79048646604179e-06,18.0,1.0,-0.005941660242968936,-0.005941660242968936,E0,FindHistory,-9.485433624099999,4.4783e-06,"[10.8356737575, 10.9497334812, 11.063793205, 11.1778529288, 11.2919126525, 11.4059723763, 11.5200321001, 11.6340918238, 11.7481515476, 11.8622112713, 11.9762709951]" +23,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Cr,"[-9.46048596, -9.46997491, -9.47715558, -9.48214411, -9.48505422, -9.48599864, -9.48507779, -9.48238107, -9.47800769, -9.47204424, -9.46457034]",PBE,-9.485997249827241,1.79048646604179e-06,70.0,1.0,-9.01357250695437e-06,-9.01357250695437e-06,E0,FindHistory,-9.4859963948,1.5143e-06,"[10.8299355949, 10.943934917, 11.057934239, 11.1719335611, 11.2859328831, 11.3999322052, 11.5139315272, 11.6279308493, 11.7419301713, 11.8559294934, 11.9699288154]" +24,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Cr,"[-9.459616, -9.46894762, -9.47596922, -9.48080426, -9.48356937, -9.48436883, -9.48330715, -9.48047339, -9.47597069, -9.46987863, -9.46227688]",PBE,-9.485997249827241,1.79048646604179e-06,14.0,1.0,-0.01713022136149327,-0.01713022136149327,E0,FindHistory,-9.4843722775,1.2033e-06,"[10.8404878116, 10.9545982096, 11.0687086076, 11.1828190056, 11.2969294037, 11.4110398017, 11.5251501997, 11.6392605977, 11.7533709957, 11.8674813937, 11.9815917918]" +25,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Cr,"[-9.46048909, -9.46997553, -9.47715253, -9.48214038, -9.4850541, -9.48599694, -9.48507267, -9.48237551, -9.47800339, -9.47203841, -9.46456569]",PBE,-9.485997249827241,1.79048646604179e-06,66.0,1.0,-4.674603127761827e-05,-4.674603127761827e-05,E0,FindHistory,-9.4859928155,1.8859e-06,"[10.8299692653, 10.9439689418, 11.0579686183, 11.1719682947, 11.2859679712, 11.3999676477, 11.5139673242, 11.6279670007, 11.7419666771, 11.8559663536, 11.9699660301]" +26,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Cr,"[-9.46051799, -9.46999709, -9.47716853, -9.48214991, -9.48505664, -9.48599362, -9.48506126, -9.48236201, -9.47798285, -9.47201307, -9.46453265]",PBE,-9.485997249827241,1.79048646604179e-06,48.0,1.0,-8.064863439821349e-05,-8.064863439821349e-05,E0,FindHistory,-9.4859895995,1.6294e-06,"[10.8303520264, 10.944355732, 11.0583594375, 11.172363143, 11.2863668486, 11.4003705541, 11.5143742597, 11.6283779652, 11.7423816708, 11.8563853763, 11.9703890818]" +27,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Cr,"[-9.46050438, -9.46998692, -9.47716127, -9.48214602, -9.48505476, -9.48599603, -9.48506712, -9.48237164, -9.47799266, -9.47202396, -9.46454997]",PBE,-9.485997249827241,1.79048646604179e-06,56.0,1.0,-5.79667808858937e-05,-5.79667808858937e-05,E0,FindHistory,-9.4859917511,1.8946e-06,"[10.8301362915, 10.9441377261, 11.0581391608, 11.1721405954, 11.2861420301, 11.4001434647, 11.5141448993, 11.628146334, 11.7421477686, 11.8561492033, 11.9701506379]" +28,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Cr,"[-9.46068595, -9.47010937, -9.47722725, -9.48215527, -9.48501244, -9.4859008, -9.48492596, -9.48217438, -9.47774723, -9.47173031, -9.46420739]",PBE,-9.485997249827241,1.79048646604179e-06,22.0,1.0,-0.0010419518859092918,-0.0010419518859092918,E0,FindHistory,-9.485898410299999,2.1067e-06,"[10.8331561417, 10.9471893642, 11.0612225868, 11.1752558093, 11.2892890318, 11.4033222544, 11.5173554769, 11.6313886995, 11.745421922, 11.8594551446, 11.9734883671]" +29,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Cr,"[-9.46052492, -9.47000422, -9.4771731, -9.48215388, -9.48505587, -9.48599026, -9.4850576, -9.48235406, -9.47797269, -9.4720015, -9.46452034]",PBE,-9.485997249827241,1.79048646604179e-06,46.0,1.0,-0.0001066775266167747,-0.0001066775266167747,E0,FindHistory,-9.4859871304,1.5713e-06,"[10.8304047966, 10.9444090576, 11.0584133187, 11.1724175797, 11.2864218407, 11.4004261017, 11.5144303627, 11.6284346237, 11.7424388848, 11.8564431458, 11.9704474068]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Cr,"[-9.46051487, -9.469994, -9.47716203, -9.48214523, -9.48504962, -9.48598826, -9.48506044, -9.48235761, -9.47797982, -9.47200594, -9.46452937]",PBE,-9.485997249827241,1.79048646604179e-06,50.0,1.0,-0.0001302259205415675,-0.0001302259205415675,E0,FindHistory,-9.4859848966,1.8967e-06,"[10.8303585149, 10.9443622888, 11.0583660626, 11.1723698364, 11.2863736103, 11.4003773841, 11.514381158, 11.6283849318, 11.7423887057, 11.8563924795, 11.9703962533]" +0,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Cr,"[-9.461096359999999, -9.47035887, -9.47731284, -9.48209123, -9.48479582, -9.48554223, -9.48442129, -9.481542, -9.47698245, -9.47084336, -9.46320268]",PBE,4.306853419703471,0.00182111496265467,12.0,1.0,0.2007907665713964,0.2007907665713964,dB,FindHistory,4.3155011837,0.0194504151,"[10.8409801975, 10.9550957785, 11.0692113595, 11.1833269406, 11.2974425216, 11.4115581026, 11.5256736836, 11.6397892647, 11.7539048457, 11.8680204267, 11.9821360077]" +1,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Cr,"[-9.46059886, -9.47004524, -9.47718848, -9.48214283, -9.48501989, -9.48593046, -9.48497575, -9.48224935, -9.47784306, -9.47184857, -9.46434957]",PBE,4.306853419703471,0.00182111496265467,28.0,1.0,0.09629618190619646,-0.09629618190619646,dB,FindHistory,4.3027060843000005,0.0194401801,"[10.8319370943, 10.945957484800001, 11.0599778752, 11.1739982657, 11.2880186562, 11.4020390466, 11.516059437100001, 11.6300798276, 11.744100218, 11.8581206085, 11.972140999]" +2,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Cr,"[-9.4605384, -9.47000795, -9.47717083, -9.4821427, -9.48504025, -9.48596808, -9.48502925, -9.4823193, -9.47793365, -9.47195208, -9.4644677]",PBE,4.306853419703471,0.00182111496265467,38.0,1.0,0.041759946954383315,-0.041759946954383315,dB,FindHistory,4.30505488,0.016116624399999998,"[10.8308412838, 10.9448501394, 11.0588589951, 11.1728678507, 11.2868767063, 11.400885561900001, 11.5148944175, 11.6289032731, 11.7429121288, 11.8569209844, 11.97092984]" +3,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Cr,"[-9.45627727, -9.46544538, -9.47234749, -9.47709366, -9.4797722, -9.48048222, -9.47933142, -9.47641781, -9.47183322, -9.46566043, -9.45797825]",PBE,4.306853419703471,0.00182111496265467,10.0,1.0,3.573032304732266,-3.573032304732266,dB,FindHistory,4.1529681557,0.0469665492,"[10.8549515738, 10.9692142219, 11.08347687, 11.1977395182, 11.3120021663, 11.4262648145, 11.5405274626, 11.6547901108, 11.7690527589, 11.8833154071, 11.9975780552]" +4,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Cr,"[-9.46050143, -9.46998265, -9.47715786, -9.48214154, -9.4850486, -9.48599044, -9.4850603, -9.48236428, -9.47798393, -9.47201401, -9.46453833]",PBE,4.306853419703471,0.00182111496265467,54.0,1.0,0.1620194170423346,-0.1620194170423346,dB,FindHistory,4.2998754809,0.0168606015,"[10.8302162974, 10.9442185742, 11.058220851, 11.1722231279, 11.2862254047, 11.4002276815, 11.5142299583, 11.6282322351, 11.7422345119, 11.8562367887, 11.9702390656]" +5,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Cr,"[-9.46054961, -9.47001087, -9.477165, -9.48212948, -9.48502093, -9.48594467, -9.48499896, -9.48228664, -9.47789277, -9.4719111, -9.46441983]",PBE,4.306853419703471,0.00182111496265467,34.0,1.0,0.2025307586175446,-0.2025307586175446,dB,FindHistory,4.2981307168,0.015434553,"[10.8312904913, 10.9453040754, 11.0593176595, 11.1733312437, 11.2873448278, 11.4013584119, 11.515371996, 11.6293855801, 11.7433991642, 11.8574127484, 11.9714263325]" +6,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Cr,"[-9.46050264, -9.46998596, -9.47715945, -9.48214386, -9.48505086, -9.48599168, -9.48506601, -9.48236565, -9.47799002, -9.47201809, -9.46454207]",PBE,4.306853419703471,0.00182111496265467,52.0,1.0,0.22837615876299994,-0.22837615876299994,dB,FindHistory,4.2970175933,0.0144591171,"[10.8301608468, 10.9441625399, 11.058164233, 11.1721659261, 11.2861676193, 11.4001693124, 11.5141710055, 11.6281726986, 11.7421743918, 11.8561760849, 11.970177778]" +7,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Cr,"[-9.46062184, -9.47000991, -9.47708984, -9.48198828, -9.48481107, -9.48567251, -9.48466683, -9.48189278, -9.47744353, -9.47140914, -9.46386849]",PBE,4.306853419703471,0.00182111496265467,20.0,1.0,0.0347519488283685,0.0347519488283685,dB,FindHistory,4.3083501351999995,0.017995157600000002,"[10.8349469889, 10.9489990625, 11.0630511361, 11.1771032096, 11.2911552832, 11.4052073568, 11.5192594304, 11.6333115039, 11.7473635775, 11.8614156511, 11.9754677246]" +8,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Cr,"[-9.46049311, -9.46997783, -9.47715106, -9.48213677, -9.4850507, -9.48599395, -9.48506454, -9.48236864, -9.47799191, -9.47202674, -9.46455256]",PBE,4.306853419703471,0.00182111496265467,58.0,1.0,0.1579324773941194,-0.1579324773941194,dB,FindHistory,4.3000514994,0.0196434009,"[10.8300886885, 10.9440896221, 11.0580905557, 11.1720914892, 11.2860924228, 11.4000933564, 11.514094289900001, 11.6280952235, 11.7420961571, 11.8560970906, 11.9700980242]" +9,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Cr,"[-9.452924490000001, -9.46199675, -9.46877611, -9.47338323, -9.4759399, -9.47653187, -9.47528705, -9.472277590000001, -9.46761404, -9.46135736, -9.45361178]",PBE,4.306853419703471,0.00182111496265467,6.0,1.0,0.31315775786026095,-0.31315775786026095,dB,FindHistory,4.2933661741,0.0146258154,"[10.8430031514, 10.9571400267, 11.071276902, 11.1854137772, 11.2995506525, 11.4136875278, 11.5278244031, 11.6419612784, 11.7560981536, 11.8702350289, 11.9843719042]" +10,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Cr,"[-9.45763634, -9.46687933, -9.47381659, -9.47855912, -9.48122394, -9.48192675, -9.48076092, -9.47781924, -9.47320553, -9.46700622, -9.45930224]",PBE,4.306853419703471,0.00182111496265467,8.0,1.0,0.9004254943786473,0.9004254943786473,dB,FindHistory,4.3456334259,0.0214222746,"[10.8524475372, 10.9666838271, 11.080920117, 11.1951564068, 11.3093926967, 11.4236289865, 11.5378652764, 11.6521015663, 11.7663378561, 11.880574146, 11.9948104359]" +11,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Cr,"[-9.46055092, -9.47001938, -9.47717862, -9.48215165, -9.48504646, -9.48597449, -9.48503344, -9.48232559, -9.47793955, -9.47196079, -9.46447287]",PBE,4.306853419703471,0.00182111496265467,36.0,1.0,0.11508118852608659,-0.11508118852608659,dB,FindHistory,4.3018970416,0.0133080347,"[10.830816227, 10.9448248189, 11.0588334108, 11.1728420026, 11.2868505945, 11.4008591864, 11.5148677782, 11.6288763701, 11.7428849619, 11.856893553799999, 11.9709021457]" +12,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Cr,"[-9.46060194, -9.47005081, -9.47718999, -9.48214122, -9.48501834, -9.48592665, -9.48497032, -9.48224623, -9.47784603, -9.47185143, -9.46435348]",PBE,4.306853419703471,0.00182111496265467,30.0,1.0,0.12141794686126885,0.12141794686126885,dB,FindHistory,4.3120827127,0.0123217559,"[10.831865348000001, 10.9458849832, 11.0599046184, 11.1739242537, 11.2879438889, 11.4019635242, 11.5159831594, 11.6300027947, 11.7440224299, 11.8580420651, 11.9720617004]" +13,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Cr,"[-9.46055201, -9.46998398, -9.47710969, -9.4820439, -9.48490639, -9.48580136, -9.48483169, -9.48208809, -9.47766719, -9.47165805, -9.46414109]",PBE,4.306853419703471,0.00182111496265467,24.0,1.0,0.17609872137217686,-0.17609872137217686,dB,FindHistory,4.2992691059,0.0161542228,"[10.8331814044, 10.9472148929, 11.0612483814, 11.1752818698, 11.2893153583, 11.4033488468, 11.5173823352, 11.6314158237, 11.7454493122, 11.8594828006, 11.9735162891]" +14,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Cr,"[-9.4606968, -9.47005767, -9.47711719, -9.48198511, -9.48478662, -9.48561913, -9.48459012, -9.48179385, -9.47731972, -9.47126231, -9.46369498]",PBE,4.306853419703471,0.00182111496265467,16.0,1.0,0.025014995671744037,0.025014995671744037,dB,FindHistory,4.3079307788999985,0.0147445888,"[10.836257764, 10.9503236352, 11.0643895064, 11.1784553776, 11.2925212488, 11.40658712, 11.5206529913, 11.6347188625, 11.748784733699999, 11.8628506049, 11.9769164761]" +15,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Cr,"[-9.46048033, -9.46996766, -9.47714337, -9.48213407, -9.48504854, -9.48599231, -9.48506691, -9.482373280000001, -9.4779988, -9.47203538, -9.46456274]",PBE,4.306853419703471,0.00182111496265467,68.0,1.0,0.12708338478462913,-0.12708338478462913,dB,FindHistory,4.3013801246,0.0180393176,"[10.8299316879, 10.9439309689, 11.0579302498, 11.1719295307, 11.2859288116, 11.3999280926, 11.5139273735, 11.6279266544, 11.7419259353, 11.8559252163, 11.969924497200001]" +16,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Cr,"[-9.46059483, -9.47005529, -9.47720991, -9.48217673, -9.48506453, -9.48598623, -9.48503967, -9.48232304, -9.47792716, -9.47194366, -9.46444884]",PBE,4.306853419703471,0.00182111496265467,32.0,1.0,0.08257030033114868,-0.08257030033114868,dB,FindHistory,4.3032972379,0.0167437858,"[10.831267328300001, 10.9452806686, 11.0592940089, 11.1733073492, 11.2873206895, 11.4013340298, 11.5153473701, 11.6293607104, 11.7433740507, 11.857387391, 11.9714007312]" +17,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Cr,"[-9.46049183, -9.46997893, -9.47715925, -9.48214444, -9.48505799, -9.48600073, -9.48507568, -9.4823777, -9.47800478, -9.47203893, -9.46456561]",PBE,4.306853419703471,0.00182111496265467,62.0,1.0,0.09249980457432457,0.09249980457432457,dB,FindHistory,4.3108372507,0.016169286499999998,"[10.8299682171, 10.9439678825, 11.057967548, 11.1719672134, 11.2859668788, 11.3999665443, 11.5139662097, 11.6279658752, 11.7419655406, 11.8559652061, 11.9699648715]" +18,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Cr,"[-9.46049697, -9.46998277, -9.4771552, -9.48214233, -9.4850498, -9.48599179, -9.48506684, -9.48236912, -9.47799472, -9.4720276, -9.46455283]",PBE,4.306853419703471,0.00182111496265467,60.0,1.0,0.09528598732190631,-0.09528598732190631,dB,FindHistory,4.3027495919,0.0133162617,"[10.8300941567, 10.9440951478, 11.0580961389, 11.17209713, 11.2860981212, 11.4000991123, 11.5141001034, 11.6281010945, 11.742102085700001, 11.8561030768, 11.9701040679]" +19,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Cr,"[-9.46065003, -9.47009403, -9.47722945, -9.4821751, -9.48504663, -9.48595501, -9.48499405, -9.48226448, -9.47785569, -9.47185912, -9.4643532]",PBE,4.306853419703471,0.00182111496265467,26.0,1.0,0.12554587018759836,-0.12554587018759836,dB,FindHistory,4.3014463431,0.0133996524,"[10.8319579349, 10.945978544799999, 11.0599991546, 11.1740197644, 11.2880403743, 11.4020609841, 11.516081594, 11.6301022038, 11.7441228136, 11.8581434235, 11.9721640333]" +20,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Cr,"[-9.46048409, -9.46997226, -9.47714705, -9.48213671, -9.48504801, -9.48599023, -9.48506708, -9.48237237, -9.47799819, -9.47203366, -9.46455869]",PBE,4.306853419703471,0.00182111496265467,64.0,1.0,0.14435946148125728,-0.14435946148125728,dB,FindHistory,4.3006360693,0.0131071626,"[10.8300144345, 10.9440145864, 11.0580147383, 11.1720148903, 11.2860150422, 11.4000151942, 11.5140153461, 11.628015498, 11.74201565, 11.8560158019, 11.9700159539]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Cr,"[-9.46055862, -9.47003149, -9.47719187, -9.48216237, -9.48506386, -9.48599104, -9.48505253, -9.48234206, -9.47795677, -9.47197966, -9.46449544]",PBE,4.306853419703471,0.00182111496265467,40.0,1.0,0.09844710937064313,0.09844710937064313,dB,FindHistory,4.3110933924,0.0168603882,"[10.830808776, 10.9448172894, 11.0588258028, 11.1728343163, 11.2868428297, 11.4008513431, 11.5148598566, 11.62886837, 11.7428768834, 11.8568853968, 11.9708939103]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Cr,"[-9.46039675, -9.46978504, -9.47686093, -9.48175378, -9.48457131, -9.48542354, -9.48441605, -9.48168149, -9.47722778, -9.4711817, -9.4636356]",PBE,4.306853419703471,0.00182111496265467,18.0,1.0,1.0173294220560791,-1.0173294220560791,dB,FindHistory,4.2630385326999995,0.0399881097,"[10.8356737575, 10.9497334812, 11.063793205, 11.1778529288, 11.2919126525, 11.4059723763, 11.5200321001, 11.6340918238, 11.7481515476, 11.8622112713, 11.9762709951]" +23,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Cr,"[-9.46048596, -9.46997491, -9.47715558, -9.48214411, -9.48505422, -9.48599864, -9.48507779, -9.48238107, -9.47800769, -9.47204424, -9.46457034]",PBE,4.306853419703471,0.00182111496265467,70.0,1.0,0.03563781830852467,0.03563781830852467,dB,FindHistory,4.3083882883,0.0134752794,"[10.8299355949, 10.943934917, 11.057934239, 11.1719335611, 11.2859328831, 11.3999322052, 11.5139315272, 11.6279308493, 11.7419301713, 11.8559294934, 11.9699288154]" +24,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Cr,"[-9.46048909, -9.46997553, -9.47715253, -9.48214038, -9.4850541, -9.48599694, -9.48507267, -9.48237551, -9.47800339, -9.47203841, -9.46456569]",PBE,4.306853419703471,0.00182111496265467,66.0,1.0,0.05090111247904789,-0.05090111247904789,dB,FindHistory,4.3046611834,0.0167799961,"[10.8299692653, 10.9439689418, 11.0579686183, 11.1719682947, 11.2859679712, 11.3999676477, 11.5139673242, 11.6279670007, 11.7419666771, 11.8559663536, 11.9699660301]" +25,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Cr,"[-9.459616, -9.46894762, -9.47596922, -9.48080426, -9.48356937, -9.48436883, -9.48330715, -9.48047339, -9.47597069, -9.46987863, -9.46227688]",PBE,4.306853419703471,0.00182111496265467,14.0,1.0,0.16706028033395523,0.16706028033395523,dB,FindHistory,4.3140484611000005,0.010746427,"[10.8404878116, 10.9545982096, 11.0687086076, 11.1828190056, 11.2969294037, 11.4110398017, 11.5251501997, 11.6392605977, 11.7533709957, 11.8674813937, 11.9815917918]" +26,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Cr,"[-9.46051799, -9.46999709, -9.47716853, -9.48214991, -9.48505664, -9.48599362, -9.48506126, -9.48236201, -9.47798285, -9.47201307, -9.46453265]",PBE,4.306853419703471,0.00182111496265467,48.0,1.0,0.10050390346855445,-0.10050390346855445,dB,FindHistory,4.3025248639,0.0145008215,"[10.8303520264, 10.944355732, 11.0583594375, 11.172363143, 11.2863668486, 11.4003705541, 11.5143742597, 11.6283779652, 11.7423816708, 11.8563853763, 11.9703890818]" +27,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Cr,"[-9.46050438, -9.46998692, -9.47716127, -9.48214602, -9.48505476, -9.48599603, -9.48506712, -9.48237164, -9.47799266, -9.47202396, -9.46454997]",PBE,4.306853419703471,0.00182111496265467,56.0,1.0,0.10681726437274013,-0.10681726437274013,dB,FindHistory,4.3022529567,0.0168611329,"[10.8301362915, 10.9441377261, 11.0581391608, 11.1721405954, 11.2861420301, 11.4001434647, 11.5141448993, 11.628146334, 11.7421477686, 11.8561492033, 11.9701506379]" +28,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Cr,"[-9.46068595, -9.47010937, -9.47722725, -9.48215527, -9.48501244, -9.4859008, -9.48492596, -9.48217438, -9.47774723, -9.47173031, -9.46420739]",PBE,4.306853419703471,0.00182111496265467,22.0,1.0,0.3927571118646457,-0.3927571118646457,dB,FindHistory,4.2899379466,0.0187729269,"[10.8331561417, 10.9471893642, 11.0612225868, 11.1752558093, 11.2892890318, 11.4033222544, 11.5173554769, 11.6313886995, 11.745421922, 11.8594551446, 11.9734883671]" +29,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Cr,"[-9.46052492, -9.47000422, -9.4771731, -9.48215388, -9.48505587, -9.48599026, -9.4850576, -9.48235406, -9.47797269, -9.4720015, -9.46452034]",PBE,4.306853419703471,0.00182111496265467,46.0,1.0,0.1507064360917106,0.1507064360917106,dB,FindHistory,4.313344125,0.0139848992,"[10.8304047966, 10.9444090576, 11.0584133187, 11.1724175797, 11.2864218407, 11.4004261017, 11.5144303627, 11.6284346237, 11.7424388848, 11.8564431458, 11.9704474068]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Cr,"[-9.46051487, -9.469994, -9.47716203, -9.48214523, -9.48504962, -9.48598826, -9.48506044, -9.48235761, -9.47797982, -9.47200594, -9.46452937]",PBE,4.306853419703471,0.00182111496265467,50.0,1.0,0.3204785085168197,-0.3204785085168197,dB,FindHistory,4.2930508801,0.0168796708,"[10.8303585149, 10.9443622888, 11.0583660626, 11.1723698364, 11.2863736103, 11.4003773841, 11.514381158, 11.6283849318, 11.7423887057, 11.8563924795, 11.9703962533]" +0,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Cr,"[-9.461096359999999, -9.47035887, -9.47731284, -9.48209123, -9.48479582, -9.48554223, -9.48442129, -9.481542, -9.47698245, -9.47084336, -9.46320268]",PBE,11.3995442866376,1.31412309677803e-05,12.0,1.0,0.003919157874788432,-0.003919157874788432,v0,FindHistory,11.3990975205,7.14703e-05,"[10.8409801975, 10.9550957785, 11.0692113595, 11.1833269406, 11.2974425216, 11.4115581026, 11.5256736836, 11.6397892647, 11.7539048457, 11.8680204267, 11.9821360077]" +1,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Cr,"[-9.46059886, -9.47004524, -9.47718848, -9.48214283, -9.48501989, -9.48593046, -9.48497575, -9.48224935, -9.47784306, -9.47184857, -9.46434957]",PBE,11.3995442866376,1.31412309677803e-05,28.0,1.0,0.0008927502700076007,0.0008927502700076007,v0,FindHistory,11.399646056099998,7.13605e-05,"[10.8319370943, 10.945957484800001, 11.0599778752, 11.1739982657, 11.2880186562, 11.4020390466, 11.516059437100001, 11.6300798276, 11.744100218, 11.8581206085, 11.972140999]" +2,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Cr,"[-9.4605384, -9.47000795, -9.47717083, -9.4821427, -9.48504025, -9.48596808, -9.48502925, -9.4823193, -9.47793365, -9.47195208, -9.4644677]",PBE,11.3995442866376,1.31412309677803e-05,38.0,1.0,0.0001831596235255071,0.0001831596235255071,v0,FindHistory,11.399565165999999,5.9144e-05,"[10.8308412838, 10.9448501394, 11.0588589951, 11.1728678507, 11.2868767063, 11.400885561900001, 11.5148944175, 11.6289032731, 11.7429121288, 11.8569209844, 11.97092984]" +3,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Cr,"[-9.45627727, -9.46544538, -9.47234749, -9.47709366, -9.4797722, -9.48048222, -9.47933142, -9.47641781, -9.47183322, -9.46566043, -9.45797825]",PBE,11.3995442866376,1.31412309677803e-05,10.0,1.0,0.11045951702789096,0.11045951702789096,v0,FindHistory,11.4121361682,0.00017278919999999998,"[10.8549515738, 10.9692142219, 11.08347687, 11.1977395182, 11.3120021663, 11.4262648145, 11.5405274626, 11.6547901108, 11.7690527589, 11.8833154071, 11.9975780552]" +4,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Cr,"[-9.46050143, -9.46998265, -9.47715786, -9.48214154, -9.4850486, -9.48599044, -9.4850603, -9.48236428, -9.47798393, -9.47201401, -9.46453833]",PBE,11.3995442866376,1.31412309677803e-05,54.0,1.0,0.0003461749119925624,0.0003461749119925624,v0,FindHistory,11.399583749000001,6.18649e-05,"[10.8302162974, 10.9442185742, 11.058220851, 11.1722231279, 11.2862254047, 11.4002276815, 11.5142299583, 11.6282322351, 11.7422345119, 11.8562367887, 11.9702390656]" +5,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Cr,"[-9.46054961, -9.47001087, -9.477165, -9.48212948, -9.48502093, -9.48594467, -9.48499896, -9.48228664, -9.47789277, -9.4719111, -9.46441983]",PBE,11.3995442866376,1.31412309677803e-05,34.0,1.0,0.0015249123827278772,0.0015249123827278772,v0,FindHistory,11.399718119700001,5.664560000000001e-05,"[10.8312904913, 10.9453040754, 11.0593176595, 11.1733312437, 11.2873448278, 11.4013584119, 11.515371996, 11.6293855801, 11.7433991642, 11.8574127484, 11.9714263325]" +6,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Cr,"[-9.46050264, -9.46998596, -9.47715945, -9.48214386, -9.48505086, -9.48599168, -9.48506601, -9.48236565, -9.47799002, -9.47201809, -9.46454207]",PBE,11.3995442866376,1.31412309677803e-05,52.0,1.0,6.986649816473732e-05,6.986649816473732e-05,v0,FindHistory,11.3995522511,5.3053900000000004e-05,"[10.8301608468, 10.9441625399, 11.058164233, 11.1721659261, 11.2861676193, 11.4001693124, 11.5141710055, 11.6281726986, 11.7421743918, 11.8561760849, 11.970177778]" +7,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Cr,"[-9.46062184, -9.47000991, -9.47708984, -9.48198828, -9.48481107, -9.48567251, -9.48466683, -9.48189278, -9.47744353, -9.47140914, -9.46386849]",PBE,11.3995442866376,1.31412309677803e-05,20.0,1.0,0.0016540675456679942,0.0016540675456679942,v0,FindHistory,11.399732842799999,6.60842e-05,"[10.8349469889, 10.9489990625, 11.0630511361, 11.1771032096, 11.2911552832, 11.4052073568, 11.5192594304, 11.6333115039, 11.7473635775, 11.8614156511, 11.9754677246]" +8,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Cr,"[-9.46049311, -9.46997783, -9.47715106, -9.48213677, -9.4850507, -9.48599395, -9.48506454, -9.48236864, -9.47799191, -9.47202674, -9.46455256]",PBE,11.3995442866376,1.31412309677803e-05,58.0,1.0,0.0003786735795207439,0.0003786735795207439,v0,FindHistory,11.399587453699999,7.207450000000001e-05,"[10.8300886885, 10.9440896221, 11.0580905557, 11.1720914892, 11.2860924228, 11.4000933564, 11.514094289900001, 11.6280952235, 11.7420961571, 11.8560970906, 11.9700980242]" +9,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Cr,"[-9.452924490000001, -9.46199675, -9.46877611, -9.47338323, -9.4759399, -9.47653187, -9.47528705, -9.472277590000001, -9.46761404, -9.46135736, -9.45361178]",PBE,11.3995442866376,1.31412309677803e-05,6.0,1.0,0.05996500707148749,-0.05996500707148749,v0,FindHistory,11.3927085491,5.36932e-05,"[10.8430031514, 10.9571400267, 11.071276902, 11.1854137772, 11.2995506525, 11.4136875278, 11.5278244031, 11.6419612784, 11.7560981536, 11.8702350289, 11.9843719042]" +10,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Cr,"[-9.45763634, -9.46687933, -9.47381659, -9.47855912, -9.48122394, -9.48192675, -9.48076092, -9.47781924, -9.47320553, -9.46700622, -9.45930224]",PBE,11.3995442866376,1.31412309677803e-05,8.0,1.0,0.07680475238525293,0.07680475238525293,v0,FindHistory,11.408299678399999,7.877950000000001e-05,"[10.8524475372, 10.9666838271, 11.080920117, 11.1951564068, 11.3093926967, 11.4236289865, 11.5378652764, 11.6521015663, 11.7663378561, 11.880574146, 11.9948104359]" +11,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Cr,"[-9.46055092, -9.47001938, -9.47717862, -9.48215165, -9.48504646, -9.48597449, -9.48503344, -9.48232559, -9.47793955, -9.47196079, -9.46447287]",PBE,11.3995442866376,1.31412309677803e-05,36.0,1.0,0.000227663816601007,-0.000227663816601007,v0,FindHistory,11.399518334000001,4.883900000000001e-05,"[10.830816227, 10.9448248189, 11.0588334108, 11.1728420026, 11.2868505945, 11.4008591864, 11.5148677782, 11.6288763701, 11.7428849619, 11.856893553799999, 11.9709021457]" +12,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Cr,"[-9.46060194, -9.47005081, -9.47718999, -9.48214122, -9.48501834, -9.48592665, -9.48497032, -9.48224623, -9.47784603, -9.47185143, -9.46435348]",PBE,11.3995442866376,1.31412309677803e-05,30.0,1.0,4.504511294106921e-05,-4.504511294106921e-05,v0,FindHistory,11.3995391517,4.52269e-05,"[10.831865348000001, 10.9458849832, 11.0599046184, 11.1739242537, 11.2879438889, 11.4019635242, 11.5159831594, 11.6300027947, 11.7440224299, 11.8580420651, 11.9720617004]" +13,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Cr,"[-9.46055201, -9.46998398, -9.47710969, -9.4820439, -9.48490639, -9.48580136, -9.48483169, -9.48208809, -9.47766719, -9.47165805, -9.46414109]",PBE,11.3995442866376,1.31412309677803e-05,24.0,1.0,0.0038618979086334645,0.0038618979086334645,v0,FindHistory,11.399984525399999,5.930940000000001e-05,"[10.8331814044, 10.9472148929, 11.0612483814, 11.1752818698, 11.2893153583, 11.4033488468, 11.5173823352, 11.6314158237, 11.7454493122, 11.8594828006, 11.9735162891]" +14,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Cr,"[-9.4606968, -9.47005767, -9.47711719, -9.48198511, -9.48478662, -9.48561913, -9.48459012, -9.48179385, -9.47731972, -9.47126231, -9.46369498]",PBE,11.3995442866376,1.31412309677803e-05,16.0,1.0,0.0005273760151162597,0.0005273760151162597,v0,FindHistory,11.3996044051,5.41557e-05,"[10.836257764, 10.9503236352, 11.0643895064, 11.1784553776, 11.2925212488, 11.40658712, 11.5206529913, 11.6347188625, 11.748784733699999, 11.8628506049, 11.9769164761]" +15,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Cr,"[-9.46048033, -9.46996766, -9.47714337, -9.48213407, -9.48504854, -9.48599231, -9.48506691, -9.482373280000001, -9.4779988, -9.47203538, -9.46456274]",PBE,11.3995442866376,1.31412309677803e-05,68.0,1.0,0.00011439810287768621,0.00011439810287768621,v0,FindHistory,11.3995573275,6.61884e-05,"[10.8299316879, 10.9439309689, 11.0579302498, 11.1719295307, 11.2859288116, 11.3999280926, 11.5139273735, 11.6279266544, 11.7419259353, 11.8559252163, 11.969924497200001]" +16,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Cr,"[-9.46059483, -9.47005529, -9.47720991, -9.48217673, -9.48506453, -9.48598623, -9.48503967, -9.48232304, -9.47792716, -9.47194366, -9.46444884]",PBE,11.3995442866376,1.31412309677803e-05,32.0,1.0,0.0002257569404006273,0.0002257569404006273,v0,FindHistory,11.3995700219,6.14536e-05,"[10.831267328300001, 10.9452806686, 11.0592940089, 11.1733073492, 11.2873206895, 11.4013340298, 11.5153473701, 11.6293607104, 11.7433740507, 11.857387391, 11.9714007312]" +17,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Cr,"[-9.46049183, -9.46997893, -9.47715925, -9.48214444, -9.48505799, -9.48600073, -9.48507568, -9.4823777, -9.47800478, -9.47203893, -9.46456561]",PBE,11.3995442866376,1.31412309677803e-05,62.0,1.0,0.00040616832072668115,-0.00040616832072668115,v0,FindHistory,11.3994979853,5.93269e-05,"[10.8299682171, 10.9439678825, 11.057967548, 11.1719672134, 11.2859668788, 11.3999665443, 11.5139662097, 11.6279658752, 11.7419655406, 11.8559652061, 11.9699648715]" +18,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Cr,"[-9.46049697, -9.46998277, -9.4771552, -9.48214233, -9.4850498, -9.48599179, -9.48506684, -9.48236912, -9.47799472, -9.4720276, -9.46455283]",PBE,11.3995442866376,1.31412309677803e-05,60.0,1.0,0.00014063774828447048,0.00014063774828447048,v0,FindHistory,11.399560318699999,4.88592e-05,"[10.8300941567, 10.9440951478, 11.0580961389, 11.17209713, 11.2860981212, 11.4000991123, 11.5141001034, 11.6281010945, 11.742102085700001, 11.8561030768, 11.9701040679]" +19,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Cr,"[-9.46065003, -9.47009403, -9.47722945, -9.4821751, -9.48504663, -9.48595501, -9.48499405, -9.48226448, -9.47785569, -9.47185912, -9.4643532]",PBE,11.3995442866376,1.31412309677803e-05,26.0,1.0,0.0013722955380286908,-0.0013722955380286908,v0,FindHistory,11.399387851199998,4.918520000000001e-05,"[10.8319579349, 10.945978544799999, 11.0599991546, 11.1740197644, 11.2880403743, 11.4020609841, 11.516081594, 11.6301022038, 11.7441228136, 11.8581434235, 11.9721640333]" +20,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Cr,"[-9.46048409, -9.46997226, -9.47714705, -9.48213671, -9.48504801, -9.48599023, -9.48506708, -9.48237237, -9.47799819, -9.47203366, -9.46455869]",PBE,11.3995442866376,1.31412309677803e-05,64.0,1.0,0.0004975081544925263,0.0004975081544925263,v0,FindHistory,11.3996010003,4.80904e-05,"[10.8300144345, 10.9440145864, 11.0580147383, 11.1720148903, 11.2860150422, 11.4000151942, 11.5140153461, 11.628015498, 11.74201565, 11.8560158019, 11.9700159539]" +21,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Cr,"[-9.46055862, -9.47003149, -9.47719187, -9.48216237, -9.48506386, -9.48599104, -9.48505253, -9.48234206, -9.47795677, -9.47197966, -9.46449544]",PBE,11.3995442866376,1.31412309677803e-05,40.0,1.0,3.866261923570182e-05,3.866261923570182e-05,v0,FindHistory,11.399548694000002,6.18727e-05,"[10.830808776, 10.9448172894, 11.0588258028, 11.1728343163, 11.2868428297, 11.4008513431, 11.5148598566, 11.62886837, 11.7428768834, 11.8568853968, 11.9708939103]" +22,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Cr,"[-9.46039675, -9.46978504, -9.47686093, -9.48175378, -9.48457131, -9.48542354, -9.48441605, -9.48168149, -9.47722778, -9.4711817, -9.4636356]",PBE,11.3995442866376,1.31412309677803e-05,18.0,1.0,0.00989282759068452,0.00989282759068452,v0,FindHistory,11.4006720239,0.0001468617,"[10.8356737575, 10.9497334812, 11.063793205, 11.1778529288, 11.2919126525, 11.4059723763, 11.5200321001, 11.6340918238, 11.7481515476, 11.8622112713, 11.9762709951]" +23,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Cr,"[-9.46048596, -9.46997491, -9.47715558, -9.48214411, -9.48505422, -9.48599864, -9.48507779, -9.48238107, -9.47800769, -9.47204424, -9.46457034]",PBE,11.3995442866376,1.31412309677803e-05,70.0,1.0,3.177440701625796e-05,-3.177440701625796e-05,v0,FindHistory,11.3995406645,4.9441300000000004e-05,"[10.8299355949, 10.943934917, 11.057934239, 11.1719335611, 11.2859328831, 11.3999322052, 11.5139315272, 11.6279308493, 11.7419301713, 11.8559294934, 11.9699288154]" +24,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Cr,"[-9.459616, -9.46894762, -9.47596922, -9.48080426, -9.48356937, -9.48436883, -9.48330715, -9.48047339, -9.47597069, -9.46987863, -9.46227688]",PBE,11.3995442866376,1.31412309677803e-05,14.0,1.0,0.021219394403643108,0.021219394403643108,v0,FindHistory,11.4019632009,3.94891e-05,"[10.8404878116, 10.9545982096, 11.0687086076, 11.1828190056, 11.2969294037, 11.4110398017, 11.5251501997, 11.6392605977, 11.7533709957, 11.8674813937, 11.9815917918]" +25,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Cr,"[-9.46048909, -9.46997553, -9.47715253, -9.48214038, -9.4850541, -9.48599694, -9.48507267, -9.48237551, -9.47800339, -9.47203841, -9.46456569]",PBE,11.3995442866376,1.31412309677803e-05,66.0,1.0,2.7781482481760227e-05,2.7781482481760227e-05,v0,FindHistory,11.399547453599999,6.15688e-05,"[10.8299692653, 10.9439689418, 11.0579686183, 11.1719682947, 11.2859679712, 11.3999676477, 11.5139673242, 11.6279670007, 11.7419666771, 11.8559663536, 11.9699660301]" +26,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Cr,"[-9.46051799, -9.46999709, -9.47716853, -9.48214991, -9.48505664, -9.48599362, -9.48506126, -9.48236201, -9.47798285, -9.47201307, -9.46453265]",PBE,11.3995442866376,1.31412309677803e-05,48.0,1.0,0.0003848764590579092,0.0003848764590579092,v0,FindHistory,11.399588160799999,5.32108e-05,"[10.8303520264, 10.944355732, 11.0583594375, 11.172363143, 11.2863668486, 11.4003705541, 11.5143742597, 11.6283779652, 11.7423816708, 11.8563853763, 11.9703890818]" +27,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Cr,"[-9.46050438, -9.46998692, -9.47716127, -9.48214602, -9.48505476, -9.48599603, -9.48506712, -9.48237164, -9.47799266, -9.47202396, -9.46454997]",PBE,11.3995442866376,1.31412309677803e-05,56.0,1.0,2.2281922286110136e-05,-2.2281922286110136e-05,v0,FindHistory,11.3995417466,6.18667e-05,"[10.8301362915, 10.9441377261, 11.0581391608, 11.1721405954, 11.2861420301, 11.4001434647, 11.5141448993, 11.628146334, 11.7421477686, 11.8561492033, 11.9701506379]" +28,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Cr,"[-9.46068595, -9.47010937, -9.47722725, -9.48215527, -9.48501244, -9.4859008, -9.48492596, -9.48217438, -9.47774723, -9.47173031, -9.46420739]",PBE,11.3995442866376,1.31412309677803e-05,22.0,1.0,0.00037356986674266085,0.00037356986674266085,v0,FindHistory,11.3995868719,6.89225e-05,"[10.8331561417, 10.9471893642, 11.0612225868, 11.1752558093, 11.2892890318, 11.4033222544, 11.5173554769, 11.6313886995, 11.745421922, 11.8594551446, 11.9734883671]" +29,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Cr,"[-9.46052492, -9.47000422, -9.4771731, -9.48215388, -9.48505587, -9.48599026, -9.4850576, -9.48235406, -9.47797269, -9.4720015, -9.46452034]",PBE,11.3995442866376,1.31412309677803e-05,46.0,1.0,0.00062889301359754,-0.00062889301359754,v0,FindHistory,11.399472595699999,5.131450000000001e-05,"[10.8304047966, 10.9444090576, 11.0584133187, 11.1724175797, 11.2864218407, 11.4004261017, 11.5144303627, 11.6284346237, 11.7424388848, 11.8564431458, 11.9704474068]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Cr,"[-9.46051487, -9.469994, -9.47716203, -9.48214523, -9.48504962, -9.48598826, -9.48506044, -9.48235761, -9.47797982, -9.47200594, -9.46452937]",PBE,11.3995442866376,1.31412309677803e-05,50.0,1.0,0.0007326008856284653,0.0007326008856284653,v0,FindHistory,11.399627799800001,6.19387e-05,"[10.8303585149, 10.9443622888, 11.0583660626, 11.1723698364, 11.2863736103, 11.4003773841, 11.514381158, 11.6283849318, 11.7423887057, 11.8563924795, 11.9703962533]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Fe,"[-8.21843389, -8.22541163, -8.23067453, -8.23432338, -8.2364472, -8.23714161, -8.23649097, -8.23457822, -8.23148637, -8.22729679, -8.2220862]",PBE,188.632729870587,0.0199642284234006,62.0,1.0,0.007360699981674524,0.007360699981674524,B,FindHistory,188.64661455990003,0.11296994,"[10.7873008603, 10.9008513957, 11.014401931, 11.1279524664, 11.2415030018, 11.3550535372, 11.4686040725, 11.5821546079, 11.6957051433, 11.8092556787, 11.922806214]" +1,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Fe,"[-8.218461, -8.22544219, -8.23069858, -8.23434279, -8.23646324, -8.23715235, -8.23648528, -8.23456141, -8.23146653, -8.22727658, -8.22207463]",PBE,188.632729870587,0.0199642284234006,38.0,1.0,0.0012886165696949575,0.0012886165696949575,B,FindHistory,188.6351606232,0.1452060227,"[10.787567278000001, 10.9011206178, 11.0146739575, 11.1282272973, 11.2417806371, 11.3553339768, 11.4688873166, 11.5824406564, 11.6959939961, 11.8095473359, 11.9231006757]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Fe,"[-8.19038668, -8.19795351, -8.20409141, -8.20888265, -8.21244237, -8.21486998, -8.2162663, -8.21659753, -8.21513477, -8.20013682, -8.19395421]",PBE,188.632729870587,0.0199642284234006,4.0,1.0,65.45115134595957,65.45115134595957,B,FindHistory,312.0950233862,28.220256418,"[10.8017654626, 10.9154682569, 11.0291710512, 11.1428738456, 11.2565766399, 11.3702794343, 11.4839822286, 11.597685023, 11.7113878173, 11.8250906116, 11.938793406]" +3,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Fe,"[-8.21843198, -8.22540908, -8.2306797, -8.2343239, -8.23644724, -8.23713524, -8.23648131, -8.23456819, -8.23148176, -8.22729154, -8.22208504]",PBE,188.632729870587,0.0199642284234006,46.0,1.0,0.017475163991774158,-0.017475163991774158,B,FindHistory,188.59976599169997,0.1093858074,"[10.7872931081, 10.9008435619, 11.0143940157, 11.1279444694, 11.2414949232, 11.355045377, 11.4685958307, 11.5821462845, 11.6956967383, 11.8092471921, 11.9227976458]" +4,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Fe,"[-8.21836612, -8.22533231, -8.230612, -8.2342731, -8.23640773, -8.23709551, -8.23643988, -8.23452733, -8.23145859, -8.22728899, -8.22209218]",PBE,188.632729870587,0.0199642284234006,24.0,1.0,0.13193492887357064,-0.13193492887357064,B,FindHistory,188.38385741259998,0.17743855,"[10.7880297885, 10.9015879968, 11.0151462051, 11.1287044134, 11.2422626217, 11.35582083, 11.4693790383, 11.5829372466, 11.696495455, 11.8100536633, 11.9236118716]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Fe,"[-8.21845315, -8.22543068, -8.23069173, -8.23433307, -8.23644611, -8.23713954, -8.23648176, -8.23456064, -8.23147199, -8.22727645, -8.22206295]",PBE,188.632729870587,0.0199642284234006,40.0,1.0,0.002763316321913904,0.002763316321913904,B,FindHistory,188.6379423896,0.100530768,"[10.7876478625, 10.9012020505, 11.0147562385, 11.1283104265, 11.2418646146, 11.3554188026, 11.4689729906, 11.5825271786, 11.6960813667, 11.8096355547, 11.9231897427]" +6,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Fe,"[-8.21846379, -8.22542836, -8.23069293, -8.23434244, -8.2364667, -8.2371465, -8.23647235, -8.2345615, -8.23145651, -8.22724294, -8.22202265]",PBE,188.632729870587,0.0199642284234006,30.0,1.0,0.178836716854187,0.178836716854187,B,FindHistory,188.9700744516,0.1519719864,"[10.7876924722, 10.9012471298, 11.0148017874, 11.128356445, 11.2419111026, 11.3554657602, 11.4690204178, 11.5825750754, 11.696129733, 11.8096843906, 11.9232390482]" +7,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Fe,"[-8.21777143, -8.22476353, -8.23003344, -8.23365215, -8.23594074, -8.23679667, -8.2363104, -8.23455745, -8.23161414, -8.22756755, -8.22221926]",PBE,188.632729870587,0.0199642284234006,12.0,1.0,0.7808185776654317,-0.7808185776654317,B,FindHistory,187.15985047220002,0.5307076674,"[10.7853585395, 10.8988886294, 11.0124187192, 11.1259488091, 11.239478899, 11.3530089889, 11.4665390788, 11.5800691687, 11.6935992586, 11.8071293485, 11.9206594384]" +8,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Fe,"[-8.21846231, -8.22543433, -8.23068748, -8.23432143, -8.23644068, -8.23713076, -8.23647419, -8.23455406, -8.23146114, -8.22726985, -8.2220506]",PBE,188.632729870587,0.0199642284234006,32.0,1.0,0.03612370150914126,-0.03612370150914126,B,FindHistory,188.56458874630002,0.0978439403,"[10.7880989258, 10.9016578619, 11.015216798, 11.128775734, 11.2423346701, 11.3558936061, 11.4694525422, 11.5830114783, 11.6965704143, 11.8101293504, 11.9236882865]" +9,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Fe,"[-8.21833713, -8.225296610000001, -8.23056074, -8.23420215, -8.23633782, -8.23704737, -8.23640893, -8.23449771, -8.2313989, -8.2272187, -8.22201971]",PBE,188.632729870587,0.0199642284234006,26.0,1.0,0.0823437435770552,-0.0823437435770552,B,FindHistory,188.47740261919998,0.17202455879999998,"[10.78781455, 10.9013704926, 11.0149264353, 11.1284823779, 11.2420383205, 11.3555942632, 11.4691502058, 11.5827061484, 11.6962620911, 11.809818033700001, 11.9233739763]" +10,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Fe,"[-8.21843136, -8.22540973, -8.23067272, -8.23432091, -8.23644575, -8.23713455, -8.23648147, -8.23457032, -8.23148008, -8.22729433, -8.22208859]",PBE,188.632729870587,0.0199642284234006,56.0,1.0,0.03506575387653809,-0.03506575387653809,B,FindHistory,188.5665843818,0.1155774619,"[10.7873138721, 10.900864544400001, 11.0144152167, 11.1279658891, 11.2415165614, 11.3550672337, 11.4686179061, 11.5821685784, 11.6957192507, 11.8092699231, 11.9228205954]" +11,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Fe,"[-8.2180999, -8.22525299, -8.23067544, -8.23444397, -8.23667165, -8.23751097, -8.23682273, -8.23483192, -8.23111165, -8.22698013, -8.22171817]",PBE,188.632729870587,0.0199642284234006,10.0,1.0,4.279350902386352,4.279350902386352,B,FindHistory,196.7049862985,1.6969612511,"[10.7848789268, 10.8984039681, 11.0119290094, 11.1254540508, 11.2389790921, 11.3525041334, 11.4660291748, 11.5795542161, 11.6930792574, 11.8066042988, 11.9201293401]" +12,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Fe,"[-8.21842952, -8.22540705, -8.2306706, -8.23431514, -8.23644577, -8.23713781, -8.23648886, -8.23457259, -8.23148011, -8.22729403, -8.2220888]",PBE,188.632729870587,0.0199642284234006,58.0,1.0,0.011540964975653876,-0.011540964975653876,B,FindHistory,188.61095983330003,0.1307461053,"[10.7872153246, 10.9007649596, 11.0143145946, 11.1278642296, 11.2414138646, 11.3549634996, 11.4685131346, 11.5820627696, 11.6956124046, 11.8091620396, 11.9227116746]" +13,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Fe,"[-8.21846292, -8.22541946, -8.2306807, -8.23431919, -8.23643497, -8.23711827, -8.23647168, -8.23456498, -8.23147621, -8.22728835, -8.22208404]",PBE,188.632729870587,0.0199642284234006,36.0,1.0,0.162352914892933,-0.162352914892933,B,FindHistory,188.3264791352,0.10695074730000001,"[10.7875053565, 10.9010580444, 11.0146107324, 11.1281634203, 11.2417161083, 11.3552687963, 11.4688214842, 11.5823741722, 11.6959268602, 11.8094795481, 11.9230322361]" +14,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Fe,"[-8.21876306, -8.22587862, -8.23115225, -8.23478811, -8.23694947, -8.23772017, -8.23713539, -8.23526508, -8.2321956, -8.22802104, -8.22284621]",PBE,188.632729870587,0.0199642284234006,14.0,1.0,0.014381575459147743,-0.014381575459147743,B,FindHistory,188.60560151220002,0.31192314200000004,"[10.7863984831, 10.8999395198, 11.0134805564, 11.1270215931, 11.2405626297, 11.3541036664, 11.4676447031, 11.5811857397, 11.6947267764, 11.8082678131, 11.9218088497]" +15,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Fe,"[-8.21841369, -8.22539143, -8.23065947, -8.23430972, -8.23643063, -8.23712857, -8.2364829, -8.23456894, -8.23147424, -8.22728518, -8.22206625]",PBE,188.632729870587,0.0199642284234006,34.0,1.0,0.054839487073075725,0.054839487073075725,B,FindHistory,188.73617509209998,0.1051308109,"[10.7875597449, 10.901113005300001, 11.0146662658, 11.1282195263, 11.2417727867, 11.3553260472, 11.4688793077, 11.5824325682, 11.6959858286, 11.8095390891, 11.923092349600001]" +16,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Fe,"[-8.23319101, -8.24106044, -8.24712648, -8.2515015, -8.25428922, -8.25557426, -8.25545266, -8.25401402, -8.2513226, -8.24746694, -8.242517]",PBE,188.632729870587,0.0199642284234006,6.0,1.0,2.7052480493782496,2.7052480493782496,B,FindHistory,193.7357131159,0.0508826871,"[10.8051622349, 10.9189007847, 11.0326393346, 11.1463778844, 11.2601164342, 11.3738549841, 11.4875935339, 11.6013320838, 11.7150706336, 11.8288091834, 11.9425477333]" +17,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Fe,"[-8.21838862, -8.22539847, -8.23067443, -8.23432902, -8.23647014, -8.23716736, -8.23653711, -8.23464946, -8.23157253, -8.22737463, -8.22214035]",PBE,188.632729870587,0.0199642284234006,22.0,1.0,0.14148366622064026,0.14148366622064026,B,FindHistory,188.8996143725,0.036105202,"[10.7864469119, 10.8999884584, 11.0135300048, 11.1270715513, 11.2406130977, 11.3541546442, 11.4676961906, 11.581237737, 11.6947792835, 11.8083208299, 11.9218623764]" +18,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Fe,"[-8.21803527, -8.22500684, -8.23034228, -8.23403924, -8.23619875, -8.2369227, -8.23632237, -8.23442881, -8.23136114, -8.22722739, -8.22202775]",PBE,188.632729870587,0.0199642284234006,18.0,1.0,0.005147258905518304,-0.005147258905518304,B,FindHistory,188.62302045560003,0.22884890870000002,"[10.7872077747, 10.9007573302, 11.0143068857, 11.1278564412, 11.2414059967, 11.3549555523, 11.4685051078, 11.5820546633, 11.6956042188, 11.8091537744, 11.9227033299]" +19,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Fe,"[-8.21855533, -8.22546179, -8.23063208, -8.23418723, -8.23624533, -8.23693543, -8.23629291, -8.2343835, -8.23129125, -8.2270701, -8.22187667]",PBE,188.632729870587,0.0199642284234006,20.0,1.0,0.8187681811881781,-0.8187681811881781,B,FindHistory,187.0882650991,0.19371569460000002,"[10.7888132443, 10.9023796995, 11.0159461548, 11.12951261, 11.2430790652, 11.3566455204, 11.4702119756, 11.5837784308, 11.697344886, 11.8109113412, 11.9244777964]" +20,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Fe,"[-8.21841919, -8.22539895, -8.23066382, -8.23431394, -8.23644107, -8.23713609, -8.23648263, -8.23457742, -8.23148764, -8.22730286, -8.22209318]",PBE,188.632729870587,0.0199642284234006,44.0,1.0,0.01832266103062471,-0.01832266103062471,B,FindHistory,188.5981673349,0.10791165380000001,"[10.7870890616, 10.9006373675, 11.0141856734, 11.1277339793, 11.2412822853, 11.3548305912, 11.4683788971, 11.581927203, 11.6954755089, 11.8090238148, 11.9225721207]" +21,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Fe,"[-8.21842576, -8.22539586, -8.23066479, -8.23431923, -8.23644491, -8.23713715, -8.2364894, -8.23457718, -8.23147967, -8.22729119, -8.22207623]",PBE,188.632729870587,0.0199642284234006,42.0,1.0,0.05749271119989492,0.05749271119989492,B,FindHistory,188.7411799412,0.1320901162,"[10.7872504765, 10.9008004815, 11.0143504865, 11.1279004916, 11.2414504966, 11.3550005016, 11.4685505066, 11.5821005116, 11.6956505166, 11.8092005217, 11.9227505267]" +22,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Fe,"[-8.21809367, -8.22506861, -8.2302769, -8.23401739, -8.23623698, -8.23697482, -8.23636427, -8.23454873, -8.23156234, -8.22747918, -8.22237401]",PBE,188.632729870587,0.0199642284234006,16.0,1.0,1.1676372749300084,-1.1676372749300084,B,FindHistory,186.4301838039,0.3543369075,"[10.7890187626, 10.9025873812, 11.0161559997, 11.1297246183, 11.2432932369, 11.3568618554, 11.470430474, 11.583999092500001, 11.6975677111, 11.8111363296, 11.9247049482]" +23,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Fe,"[-8.21512409, -8.2219299, -8.22610502, -8.228318550000001, -8.23071738, -8.23185147, -8.23169306, -8.23031722, -8.22780215, -8.22423678, -8.21969412]",PBE,188.632729870587,0.0199642284234006,8.0,1.0,15.902264233501048,-15.902264233501048,B,FindHistory,158.6358547357,4.3958447028,"[10.8075562434, 10.9213199933, 11.0350837432, 11.1488474932, 11.2626112431, 11.376374993, 11.490138743, 11.6039024929, 11.7176662428, 11.8314299928, 11.9451937427]" +24,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Fe,"[-8.2184384, -8.22541237, -8.23067763, -8.23432475, -8.23644697, -8.23714045, -8.2364883, -8.23457701, -8.23148289, -8.22729275, -8.22208134]",PBE,188.632729870587,0.0199642284234006,60.0,1.0,0.008781725538478207,0.008781725538478207,B,FindHistory,188.6492950792,0.113694325,"[10.7873039745, 10.9008545426, 11.0144051108, 11.1279556789, 11.2415062471, 11.3550568152, 11.4686073834, 11.5821579515, 11.6957085197, 11.8092590878, 11.922809656]" +25,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Fe,"[-8.21841191, -8.22539022, -8.23065754, -8.23431043, -8.23643989, -8.23713521, -8.23648738, -8.2345749, -8.23148672, -8.2272973, -8.22208929]",PBE,188.632729870587,0.0199642284234006,50.0,1.0,0.023197834354104985,0.023197834354104985,B,FindHistory,188.67648857880002,0.1230978181,"[10.7870381585, 10.9005859286, 11.0141336987, 11.1276814688, 11.2412292388, 11.3547770089, 11.468324779, 11.5818725491, 11.6954203192, 11.8089680893, 11.9225158594]" +26,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Fe,"[-8.21839598, -8.2253822, -8.23065341, -8.23430821, -8.23643776, -8.23713749, -8.23649142, -8.23458688, -8.23149808, -8.227312359999999, -8.22210592]",PBE,188.632729870587,0.0199642284234006,52.0,1.0,0.021139218225991407,0.021139218225991407,B,FindHistory,188.672605355,0.1083467801,"[10.7868014453, 10.9003467236, 11.013892002, 11.1274372804, 11.2409825587, 11.354527837100001, 11.4680731155, 11.5816183938, 11.6951636722, 11.8087089506, 11.922254229]" +27,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Fe,"[-8.21847676, -8.22543847, -8.23068407, -8.23429697, -8.23639233, -8.23705089, -8.2363878, -8.23446408, -8.23136895, -8.22717713, -8.22197835]",PBE,188.632729870587,0.0199642284234006,28.0,1.0,0.25751369516853084,-0.25751369516853084,B,FindHistory,188.1469747576,0.0822987919,"[10.7882473399, 10.9018078382, 11.0153683365, 11.1289288348, 11.2424893331, 11.3560498314, 11.4696103297, 11.5831708281, 11.6967313264, 11.8102918247, 11.923852323]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Fe,"[-8.21843546, -8.22541033, -8.23067354, -8.23432212, -8.23644404, -8.23713858, -8.23648677, -8.23457362, -8.23148352, -8.22729349, -8.22208433]",PBE,188.632729870587,0.0199642284234006,54.0,1.0,0.010325781003326606,-0.010325781003326606,B,FindHistory,188.61325206799998,0.1150010139,"[10.7873516243, 10.900902694, 11.0144537638, 11.1280048335, 11.2415559032, 11.355106973, 11.4686580427, 11.5822091124, 11.6957601821, 11.8093112519, 11.9228623216]" +29,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Fe,"[-8.21843517, -8.22540819, -8.23067383, -8.23432114, -8.23644382, -8.23713203, -8.23647797, -8.23455868, -8.23146938, -8.2272843, -8.22208139]",PBE,188.632729870587,0.0199642284234006,48.0,1.0,0.03830391599410553,-0.03830391599410553,B,FindHistory,188.5604761482,0.1354872623,"[10.7873614526, 10.9009126258, 11.014463799, 11.1280149722, 11.2415661454, 11.3551173186, 11.4686684918, 11.582219665, 11.6957708381, 11.8093220113, 11.9228731845]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Fe,"[-8.21843389, -8.22541163, -8.23067453, -8.23432338, -8.2364472, -8.23714161, -8.23649097, -8.23457822, -8.23148637, -8.22729679, -8.2220862]",PBE,-8.23713055926855,1.34006206838018e-06,62.0,1.0,-6.42494914906533e-06,6.42494914906533e-06,E0,FindHistory,-8.2371310885,5.245499999999998e-06,"[10.7873008603, 10.9008513957, 11.014401931, 11.1279524664, 11.2415030018, 11.3550535372, 11.4686040725, 11.5821546079, 11.6957051433, 11.8092556787, 11.922806214]" +1,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Fe,"[-8.218461, -8.22544219, -8.23069858, -8.23434279, -8.23646324, -8.23715235, -8.23648528, -8.23456141, -8.23146653, -8.22727658, -8.22207463]",PBE,-8.23713055926855,1.34006206838018e-06,38.0,1.0,-4.801710282899922e-05,4.801710282899922e-05,E0,FindHistory,-8.237134514500001,6.748200000000002e-06,"[10.787567278000001, 10.9011206178, 11.0146739575, 11.1282272973, 11.2417806371, 11.3553339768, 11.4688873166, 11.5824406564, 11.6959939961, 11.8095473359, 11.9231006757]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Fe,"[-8.19038668, -8.19795351, -8.20409141, -8.20888265, -8.21244237, -8.21486998, -8.2162663, -8.21659753, -8.21513477, -8.20013682, -8.19395421]",PBE,-8.23713055926855,1.34006206838018e-06,4.0,1.0,-0.24659813053096283,-0.24659813053096283,E0,FindHistory,-8.2168179493,0.0010255746,"[10.8017654626, 10.9154682569, 11.0291710512, 11.1428738456, 11.2565766399, 11.3702794343, 11.4839822286, 11.597685023, 11.7113878173, 11.8250906116, 11.938793406]" +3,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Fe,"[-8.21843198, -8.22540908, -8.2306797, -8.2343239, -8.23644724, -8.23713524, -8.23648131, -8.23456819, -8.23148176, -8.22729154, -8.22208504]",PBE,-8.23713055926855,1.34006206838018e-06,46.0,1.0,-5.315040860369403e-05,-5.315040860369403e-05,E0,FindHistory,-8.2371261812,5.0798e-06,"[10.7872931081, 10.9008435619, 11.0143940157, 11.1279444694, 11.2414949232, 11.355045377, 11.4685958307, 11.5821462845, 11.6956967383, 11.8092471921, 11.9227976458]" +4,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Fe,"[-8.21836612, -8.22533231, -8.230612, -8.2342731, -8.23640773, -8.23709551, -8.23643988, -8.23452733, -8.23145859, -8.22728899, -8.22209218]",PBE,-8.23713055926855,1.34006206838018e-06,24.0,1.0,-0.0006005534110934684,-0.0006005534110934684,E0,FindHistory,-8.2370810909,8.2325e-06,"[10.7880297885, 10.9015879968, 11.0151462051, 11.1287044134, 11.2422626217, 11.35582083, 11.4693790383, 11.5829372466, 11.696495455, 11.8100536633, 11.9236118716]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Fe,"[-8.21845315, -8.22543068, -8.23069173, -8.23433307, -8.23644611, -8.23713954, -8.23648176, -8.23456064, -8.23147199, -8.22727645, -8.22206295]",PBE,-8.23713055926855,1.34006206838018e-06,40.0,1.0,-3.4197206535729584e-05,-3.4197206535729584e-05,E0,FindHistory,-8.2371277424,4.6711e-06,"[10.7876478625, 10.9012020505, 11.0147562385, 11.1283104265, 11.2418646146, 11.3554188026, 11.4689729906, 11.5825271786, 11.6960813667, 11.8096355547, 11.9231897427]" +6,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Fe,"[-8.21846231, -8.22543433, -8.23068748, -8.23432143, -8.23644068, -8.23713076, -8.23647419, -8.23455406, -8.23146114, -8.22726985, -8.2220506]",PBE,-8.23713055926855,1.34006206838018e-06,32.0,1.0,-0.00013615504172970007,-0.00013615504172970007,E0,FindHistory,-8.237119344,4.5472e-06,"[10.7880989258, 10.9016578619, 11.015216798, 11.128775734, 11.2423346701, 11.3558936061, 11.4694525422, 11.5830114783, 11.6965704143, 11.8101293504, 11.9236882865]" +7,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Fe,"[-8.21846379, -8.22542836, -8.23069293, -8.23434244, -8.2364667, -8.2371465, -8.23647235, -8.2345615, -8.23145651, -8.22724294, -8.22202265]",PBE,-8.23713055926855,1.34006206838018e-06,30.0,1.0,-3.6080907398565466e-05,3.6080907398565466e-05,E0,FindHistory,-8.2371335313,7.0656000000000014e-06,"[10.7876924722, 10.9012471298, 11.0148017874, 11.128356445, 11.2419111026, 11.3554657602, 11.4690204178, 11.5825750754, 11.696129733, 11.8096843906, 11.9232390482]" +8,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Fe,"[-8.21777143, -8.22476353, -8.23003344, -8.23365215, -8.23594074, -8.23679667, -8.2363104, -8.23455745, -8.23161414, -8.22756755, -8.22221926]",PBE,-8.23713055926855,1.34006206838018e-06,12.0,1.0,-0.003818260088119515,-0.003818260088119515,E0,FindHistory,-8.2368160442,2.41329e-05,"[10.7853585395, 10.8988886294, 11.0124187192, 11.1259488091, 11.239478899, 11.3530089889, 11.4665390788, 11.5800691687, 11.6935992586, 11.8071293485, 11.9206594384]" +9,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Fe,"[-8.21833713, -8.225296610000001, -8.23056074, -8.23420215, -8.23633782, -8.23704737, -8.23640893, -8.23449771, -8.2313989, -8.2272187, -8.22201971]",PBE,-8.23713055926855,1.34006206838018e-06,26.0,1.0,-0.0012050224023530582,-0.0012050224023530582,E0,FindHistory,-8.2370313,7.9817e-06,"[10.78781455, 10.9013704926, 11.0149264353, 11.1284823779, 11.2420383205, 11.3555942632, 11.4691502058, 11.5827061484, 11.6962620911, 11.809818033700001, 11.9233739763]" +10,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Fe,"[-8.21843136, -8.22540973, -8.23067272, -8.23432091, -8.23644575, -8.23713455, -8.23648147, -8.23457032, -8.23148008, -8.22729433, -8.22208859]",PBE,-8.23713055926855,1.34006206838018e-06,56.0,1.0,-7.166413725088386e-05,-7.166413725088386e-05,E0,FindHistory,-8.2371246562,5.3667e-06,"[10.7873138721, 10.900864544400001, 11.0144152167, 11.1279658891, 11.2415165614, 11.3550672337, 11.4686179061, 11.5821685784, 11.6957192507, 11.8092699231, 11.9228205954]" +11,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Fe,"[-8.2180999, -8.22525299, -8.23067544, -8.23444397, -8.23667165, -8.23751097, -8.23682273, -8.23483192, -8.23111165, -8.22698013, -8.22171817]",PBE,-8.23713055926855,1.34006206838018e-06,10.0,1.0,-0.0031180752763484225,0.0031180752763484225,E0,FindHistory,-8.2373873992,7.90157e-05,"[10.7848789268, 10.8984039681, 11.0119290094, 11.1254540508, 11.2389790921, 11.3525041334, 11.4660291748, 11.5795542161, 11.6930792574, 11.8066042988, 11.9201293401]" +12,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Fe,"[-8.21846292, -8.22541946, -8.2306807, -8.23431919, -8.23643497, -8.23711827, -8.23647168, -8.23456498, -8.23147621, -8.22728835, -8.22208404]",PBE,-8.23713055926855,1.34006206838018e-06,36.0,1.0,-0.00019344440925518394,-0.00019344440925518394,E0,FindHistory,-8.237114625,4.9676000000000005e-06,"[10.7875053565, 10.9010580444, 11.0146107324, 11.1281634203, 11.2417161083, 11.3552687963, 11.4688214842, 11.5823741722, 11.6959268602, 11.8094795481, 11.9230322361]" +13,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Fe,"[-8.21842952, -8.22540705, -8.2306706, -8.23431514, -8.23644577, -8.23713781, -8.23648886, -8.23457259, -8.23148011, -8.22729403, -8.2220888]",PBE,-8.23713055926855,1.34006206838018e-06,58.0,1.0,-5.240985946125687e-05,-5.240985946125687e-05,E0,FindHistory,-8.2371262422,6.0705000000000014e-06,"[10.7872153246, 10.9007649596, 11.0143145946, 11.1278642296, 11.2414138646, 11.3549634996, 11.4685131346, 11.5820627696, 11.6956124046, 11.8091620396, 11.9227116746]" +14,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Fe,"[-8.21876306, -8.22587862, -8.23115225, -8.23478811, -8.23694947, -8.23772017, -8.23713539, -8.23526508, -8.2321956, -8.22802104, -8.22284621]",PBE,-8.23713055926855,1.34006206838018e-06,14.0,1.0,-0.0071232843431211675,0.0071232843431211675,E0,FindHistory,-8.237717313500001,1.43959e-05,"[10.7863984831, 10.8999395198, 11.0134805564, 11.1270215931, 11.2405626297, 11.3541036664, 11.4676447031, 11.5811857397, 11.6947267764, 11.8082678131, 11.9218088497]" +15,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Fe,"[-8.21841369, -8.22539143, -8.23065947, -8.23430972, -8.23643063, -8.23712857, -8.2364829, -8.23456894, -8.23147424, -8.22728518, -8.22206625]",PBE,-8.23713055926855,1.34006206838018e-06,34.0,1.0,-0.00012884424343950353,-0.00012884424343950353,E0,FindHistory,-8.2371199462,4.8812e-06,"[10.7875597449, 10.901113005300001, 11.0146662658, 11.1282195263, 11.2417727867, 11.3553260472, 11.4688793077, 11.5824325682, 11.6959858286, 11.8095390891, 11.923092349600001]" +16,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Fe,"[-8.23319101, -8.24106044, -8.24712648, -8.2515015, -8.25428922, -8.25557426, -8.25545266, -8.25401402, -8.2513226, -8.24746694, -8.242517]",PBE,-8.23713055926855,1.34006206838018e-06,6.0,1.0,-0.22528359478979618,0.22528359478979618,E0,FindHistory,-8.2556874631,2.085e-06,"[10.8051622349, 10.9189007847, 11.0326393346, 11.1463778844, 11.2601164342, 11.3738549841, 11.4875935339, 11.6013320838, 11.7150706336, 11.8288091834, 11.9425477333]" +17,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Fe,"[-8.21838862, -8.22539847, -8.23067443, -8.23432902, -8.23647014, -8.23716736, -8.23653711, -8.23464946, -8.23157253, -8.22737463, -8.22214035]",PBE,-8.23713055926855,1.34006206838018e-06,22.0,1.0,-0.0005087527889571073,0.0005087527889571073,E0,FindHistory,-8.2371724659,1.6735000000000004e-06,"[10.7864469119, 10.8999884584, 11.0135300048, 11.1270715513, 11.2406130977, 11.3541546442, 11.4676961906, 11.581237737, 11.6947792835, 11.8083208299, 11.9218623764]" +18,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Fe,"[-8.21803527, -8.22500684, -8.23034228, -8.23403924, -8.23619875, -8.2369227, -8.23632237, -8.23442881, -8.23136114, -8.22722739, -8.22202775]",PBE,-8.23713055926855,1.34006206838018e-06,18.0,1.0,-0.0025937377951369307,-0.0025937377951369307,E0,FindHistory,-8.2369169097,1.05693e-05,"[10.7872077747, 10.9007573302, 11.0143068857, 11.1278564412, 11.2414059967, 11.3549555523, 11.4685051078, 11.5820546633, 11.6956042188, 11.8091537744, 11.9227033299]" +19,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Fe,"[-8.21842576, -8.22539586, -8.23066479, -8.23431923, -8.23644491, -8.23713715, -8.2364894, -8.23457718, -8.23147967, -8.22729119, -8.22207623]",PBE,-8.23713055926855,1.34006206838018e-06,42.0,1.0,-2.966043249732956e-05,-2.966043249732956e-05,E0,FindHistory,-8.237128116100001,6.1328e-06,"[10.7872504765, 10.9008004815, 11.0143504865, 11.1279004916, 11.2414504966, 11.3550005016, 11.4685505066, 11.5821005116, 11.6956505166, 11.8092005217, 11.9227505267]" +20,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Fe,"[-8.21855533, -8.22546179, -8.23063208, -8.23418723, -8.23624533, -8.23693543, -8.23629291, -8.2343835, -8.23129125, -8.2270701, -8.22187667]",PBE,-8.23713055926855,1.34006206838018e-06,20.0,1.0,-0.002343144462273017,-0.002343144462273017,E0,FindHistory,-8.2369375514,9.0268e-06,"[10.7888132443, 10.9023796995, 11.0159461548, 11.12951261, 11.2430790652, 11.3566455204, 11.4702119756, 11.5837784308, 11.697344886, 11.8109113412, 11.9244777964]" +21,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Fe,"[-8.21841919, -8.22539895, -8.23066382, -8.23431394, -8.23644107, -8.23713609, -8.23648263, -8.23457742, -8.23148764, -8.22730286, -8.22209318]",PBE,-8.23713055926855,1.34006206838018e-06,44.0,1.0,-6.802330628690953e-05,-6.802330628690953e-05,E0,FindHistory,-8.2371249561,5.0090000000000015e-06,"[10.7870890616, 10.9006373675, 11.0141856734, 11.1277339793, 11.2412822853, 11.3548305912, 11.4683788971, 11.581927203, 11.6954755089, 11.8090238148, 11.9225721207]" +22,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Fe,"[-8.21809367, -8.22506861, -8.2302769, -8.23401739, -8.23623698, -8.23697482, -8.23636427, -8.23454873, -8.23156234, -8.22747918, -8.22237401]",PBE,-8.23713055926855,1.34006206838018e-06,16.0,1.0,-0.002214318047268938,-0.002214318047268938,E0,FindHistory,-8.236948163,1.62769e-05,"[10.7890187626, 10.9025873812, 11.0161559997, 11.1297246183, 11.2432932369, 11.3568618554, 11.470430474, 11.583999092500001, 11.6975677111, 11.8111363296, 11.9247049482]" +23,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Fe,"[-8.21512409, -8.2219299, -8.22610502, -8.228318550000001, -8.23071738, -8.23185147, -8.23169306, -8.23031722, -8.22780215, -8.22423678, -8.21969412]",PBE,-8.23713055926855,1.34006206838018e-06,8.0,1.0,-0.06389776914035031,-0.06389776914035031,E0,FindHistory,-8.2318672166,0.0001953309,"[10.8075562434, 10.9213199933, 11.0350837432, 11.1488474932, 11.2626112431, 11.376374993, 11.490138743, 11.6039024929, 11.7176662428, 11.8314299928, 11.9451937427]" +24,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Fe,"[-8.2184384, -8.22541237, -8.23067763, -8.23432475, -8.23644697, -8.23714045, -8.2364883, -8.23457701, -8.23148289, -8.22729275, -8.22208134]",PBE,-8.23713055926855,1.34006206838018e-06,60.0,1.0,-4.004653657962006e-06,-4.004653657962006e-06,E0,FindHistory,-8.2371302294,5.2797000000000005e-06,"[10.7873039745, 10.9008545426, 11.0144051108, 11.1279556789, 11.2415062471, 11.3550568152, 11.4686073834, 11.5821579515, 11.6957085197, 11.8092590878, 11.922809656]" +25,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Fe,"[-8.21841191, -8.22539022, -8.23065754, -8.23431043, -8.23643989, -8.23713521, -8.23648738, -8.2345749, -8.23148672, -8.2272973, -8.22208929]",PBE,-8.23713055926855,1.34006206838018e-06,50.0,1.0,-7.357985291772338e-05,-7.357985291772338e-05,E0,FindHistory,-8.2371244984,5.7136e-06,"[10.7870381585, 10.9005859286, 11.0141336987, 11.1276814688, 11.2412292388, 11.3547770089, 11.468324779, 11.5818725491, 11.6954203192, 11.8089680893, 11.9225158594]" +26,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Fe,"[-8.21839598, -8.2253822, -8.23065341, -8.23430821, -8.23643776, -8.23713749, -8.23649142, -8.23458688, -8.23149808, -8.227312359999999, -8.22210592]",PBE,-8.23713055926855,1.34006206838018e-06,52.0,1.0,-3.4522562559265345e-05,-3.4522562559265345e-05,E0,FindHistory,-8.2371277156,5.0268e-06,"[10.7868014453, 10.9003467236, 11.013892002, 11.1274372804, 11.2409825587, 11.354527837100001, 11.4680731155, 11.5816183938, 11.6951636722, 11.8087089506, 11.922254229]" +27,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Fe,"[-8.21847676, -8.22543847, -8.23068407, -8.23429697, -8.23639233, -8.23705089, -8.2363878, -8.23446408, -8.23136895, -8.22717713, -8.22197835]",PBE,-8.23713055926855,1.34006206838018e-06,28.0,1.0,-0.0009748572997880804,-0.0009748572997880804,E0,FindHistory,-8.237050259,3.8309e-06,"[10.7882473399, 10.9018078382, 11.0153683365, 11.1289288348, 11.2424893331, 11.3560498314, 11.4696103297, 11.5831708281, 11.6967313264, 11.8102918247, 11.923852323]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Fe,"[-8.21843546, -8.22541033, -8.23067354, -8.23432212, -8.23644404, -8.23713858, -8.23648677, -8.23457362, -8.23148352, -8.22729349, -8.22208433]",PBE,-8.23713055926855,1.34006206838018e-06,54.0,1.0,-3.6071645689384644e-05,-3.6071645689384644e-05,E0,FindHistory,-8.237127588,5.3401e-06,"[10.7873516243, 10.900902694, 11.0144537638, 11.1280048335, 11.2415559032, 11.355106973, 11.4686580427, 11.5822091124, 11.6957601821, 11.8093112519, 11.9228623216]" +29,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Fe,"[-8.21843517, -8.22540819, -8.23067383, -8.23432114, -8.23644382, -8.23713203, -8.23647797, -8.23455868, -8.23146938, -8.2272843, -8.22208139]",PBE,-8.23713055926855,1.34006206838018e-06,48.0,1.0,-0.0001261139237095136,-0.0001261139237095136,E0,FindHistory,-8.2371201711,6.292600000000001e-06,"[10.7873614526, 10.9009126258, 11.014463799, 11.1280149722, 11.2415661454, 11.3551173186, 11.4686684918, 11.582219665, 11.6957708381, 11.8093220113, 11.9228731845]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Fe,"[-8.21843389, -8.22541163, -8.23067453, -8.23432338, -8.2364472, -8.23714161, -8.23649097, -8.23457822, -8.23148637, -8.22729679, -8.2220862]",PBE,5.373663724163588,0.00893690372979657,62.0,1.0,0.17059814372763546,-0.17059814372763546,dB,FindHistory,5.3644963536,0.0648489942,"[10.7873008603, 10.9008513957, 11.014401931, 11.1279524664, 11.2415030018, 11.3550535372, 11.4686040725, 11.5821546079, 11.6957051433, 11.8092556787, 11.922806214]" +1,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Fe,"[-8.218461, -8.22544219, -8.23069858, -8.23434279, -8.23646324, -8.23715235, -8.23648528, -8.23456141, -8.23146653, -8.22727658, -8.22207463]",PBE,5.373663724163588,0.00893690372979657,38.0,1.0,1.771427685516897,1.771427685516897,dB,FindHistory,5.4688542911,0.0834486822,"[10.787567278000001, 10.9011206178, 11.0146739575, 11.1282272973, 11.2417806371, 11.3553339768, 11.4688873166, 11.5824406564, 11.6959939961, 11.8095473359, 11.9231006757]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Fe,"[-8.19038668, -8.19795351, -8.20409141, -8.20888265, -8.21244237, -8.21486998, -8.2162663, -8.21659753, -8.21513477, -8.20013682, -8.19395421]",PBE,5.373663724163588,0.00893690372979657,4.0,1.0,556.7312415556885,-556.7312415556885,dB,FindHistory,-24.5432010444,9.3611082941,"[10.8017654626, 10.9154682569, 11.0291710512, 11.1428738456, 11.2565766399, 11.3702794343, 11.4839822286, 11.597685023, 11.7113878173, 11.8250906116, 11.938793406]" +3,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Fe,"[-8.21843198, -8.22540908, -8.2306797, -8.2343239, -8.23644724, -8.23713524, -8.23648131, -8.23456819, -8.23148176, -8.22729154, -8.22208504]",PBE,5.373663724163588,0.00893690372979657,46.0,1.0,0.8816550452044819,0.8816550452044819,dB,FindHistory,5.4210409015,0.0628177595,"[10.7872931081, 10.9008435619, 11.0143940157, 11.1279444694, 11.2414949232, 11.355045377, 11.4685958307, 11.5821462845, 11.6956967383, 11.8092471921, 11.9227976458]" +4,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Fe,"[-8.21836612, -8.22533231, -8.230612, -8.2342731, -8.23640773, -8.23709551, -8.23643988, -8.23452733, -8.23145859, -8.22728899, -8.22209218]",PBE,5.373663724163588,0.00893690372979657,24.0,1.0,1.7431894168441238,1.7431894168441238,dB,FindHistory,5.4673368615,0.1018647455,"[10.7880297885, 10.9015879968, 11.0151462051, 11.1287044134, 11.2422626217, 11.35582083, 11.4693790383, 11.5829372466, 11.696495455, 11.8100536633, 11.9236118716]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Fe,"[-8.21845315, -8.22543068, -8.23069173, -8.23433307, -8.23644611, -8.23713954, -8.23648176, -8.23456064, -8.23147199, -8.22727645, -8.22206295]",PBE,5.373663724163588,0.00893690372979657,40.0,1.0,0.5235520918419566,0.5235520918419566,dB,FindHistory,5.401797652999999,0.0577696355,"[10.7876478625, 10.9012020505, 11.0147562385, 11.1283104265, 11.2418646146, 11.3554188026, 11.4689729906, 11.5825271786, 11.6960813667, 11.8096355547, 11.9231897427]" +6,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Fe,"[-8.21846379, -8.22542836, -8.23069293, -8.23434244, -8.2364667, -8.2371465, -8.23647235, -8.2345615, -8.23145651, -8.22724294, -8.22202265]",PBE,5.373663724163588,0.00893690372979657,30.0,1.0,0.33973598648341125,-0.33973598648341125,dB,FindHistory,5.3554074547,0.0872529031,"[10.7876924722, 10.9012471298, 11.0148017874, 11.128356445, 11.2419111026, 11.3554657602, 11.4690204178, 11.5825750754, 11.696129733, 11.8096843906, 11.9232390482]" +7,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Fe,"[-8.21777143, -8.22476353, -8.23003344, -8.23365215, -8.23594074, -8.23679667, -8.2363104, -8.23455745, -8.23161414, -8.22756755, -8.22221926]",PBE,5.373663724163588,0.00893690372979657,12.0,1.0,27.54613731051783,-27.54613731051783,dB,FindHistory,3.8934269361,0.29922524300000003,"[10.7853585395, 10.8988886294, 11.0124187192, 11.1259488091, 11.239478899, 11.3530089889, 11.4665390788, 11.5800691687, 11.6935992586, 11.8071293485, 11.9206594384]" +8,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Fe,"[-8.21846231, -8.22543433, -8.23068748, -8.23432143, -8.23644068, -8.23713076, -8.23647419, -8.23455406, -8.23146114, -8.22726985, -8.2220506]",PBE,5.373663724163588,0.00893690372979657,32.0,1.0,0.2605470714631989,-0.2605470714631989,dB,FindHistory,5.3596628007,0.0562572041,"[10.7880989258, 10.9016578619, 11.015216798, 11.128775734, 11.2423346701, 11.3558936061, 11.4694525422, 11.5830114783, 11.6965704143, 11.8101293504, 11.9236882865]" +9,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Fe,"[-8.21833713, -8.225296610000001, -8.23056074, -8.23420215, -8.23633782, -8.23704737, -8.23640893, -8.23449771, -8.2313989, -8.2272187, -8.22201971]",PBE,5.373663724163588,0.00893690372979657,26.0,1.0,2.14178668170202,-2.14178668170202,dB,FindHistory,5.2585713102,0.0987312519,"[10.78781455, 10.9013704926, 11.0149264353, 11.1284823779, 11.2420383205, 11.3555942632, 11.4691502058, 11.5827061484, 11.6962620911, 11.809818033700001, 11.9233739763]" +10,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Fe,"[-8.21843136, -8.22540973, -8.23067272, -8.23432091, -8.23644575, -8.23713455, -8.23648147, -8.23457032, -8.23148008, -8.22729433, -8.22208859]",PBE,5.373663724163588,0.00893690372979657,56.0,1.0,0.6486347848615597,0.6486347848615597,dB,FindHistory,5.4085191763000005,0.066368024,"[10.7873138721, 10.900864544400001, 11.0144152167, 11.1279658891, 11.2415165614, 11.3550672337, 11.4686179061, 11.5821685784, 11.6957192507, 11.8092699231, 11.9228205954]" +11,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Fe,"[-8.2180999, -8.22525299, -8.23067544, -8.23444397, -8.23667165, -8.23751097, -8.23682273, -8.23483192, -8.23111165, -8.22698013, -8.22171817]",PBE,5.373663724163588,0.00893690372979657,10.0,1.0,1.7923940445041575,-1.7923940445041575,dB,FindHistory,5.2773464956,0.9385927809,"[10.7848789268, 10.8984039681, 11.0119290094, 11.1254540508, 11.2389790921, 11.3525041334, 11.4660291748, 11.5795542161, 11.6930792574, 11.8066042988, 11.9201293401]" +12,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Fe,"[-8.21842952, -8.22540705, -8.2306706, -8.23431514, -8.23644577, -8.23713781, -8.23648886, -8.23457259, -8.23148011, -8.22729403, -8.2220888]",PBE,5.373663724163588,0.00893690372979657,58.0,1.0,0.1273744560091001,0.1273744560091001,dB,FindHistory,5.3805083991,0.0750559422,"[10.7872153246, 10.9007649596, 11.0143145946, 11.1278642296, 11.2414138646, 11.3549634996, 11.4685131346, 11.5820627696, 11.6956124046, 11.8091620396, 11.9227116746]" +13,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Fe,"[-8.21846292, -8.22541946, -8.2306807, -8.23431919, -8.23643497, -8.23711827, -8.23647168, -8.23456498, -8.23147621, -8.22728835, -8.22208404]",PBE,5.373663724163588,0.00893690372979657,36.0,1.0,0.2050502604776134,-0.2050502604776134,dB,FindHistory,5.3626450127,0.06151869500000001,"[10.7875053565, 10.9010580444, 11.0146107324, 11.1281634203, 11.2417161083, 11.3552687963, 11.4688214842, 11.5823741722, 11.6959268602, 11.8094795481, 11.9230322361]" +14,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Fe,"[-8.21876306, -8.22587862, -8.23115225, -8.23478811, -8.23694947, -8.23772017, -8.23713539, -8.23526508, -8.2321956, -8.22802104, -8.22284621]",PBE,5.373663724163588,0.00893690372979657,14.0,1.0,1.1144087690918836,-1.1144087690918836,dB,FindHistory,5.3137791444,0.1775478056,"[10.7863984831, 10.8999395198, 11.0134805564, 11.1270215931, 11.2405626297, 11.3541036664, 11.4676447031, 11.5811857397, 11.6947267764, 11.8082678131, 11.9218088497]" +15,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Fe,"[-8.21841369, -8.22539143, -8.23065947, -8.23430972, -8.23643063, -8.23712857, -8.2364829, -8.23456894, -8.23147424, -8.22728518, -8.22206625]",PBE,5.373663724163588,0.00893690372979657,34.0,1.0,0.7273865647347002,-0.7273865647347002,dB,FindHistory,5.3345764162,0.0603109841,"[10.7875597449, 10.901113005300001, 11.0146662658, 11.1282195263, 11.2417727867, 11.3553260472, 11.4688793077, 11.5824325682, 11.6959858286, 11.8095390891, 11.923092349600001]" +16,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Fe,"[-8.23319101, -8.24106044, -8.24712648, -8.2515015, -8.25428922, -8.25557426, -8.25545266, -8.25401402, -8.2513226, -8.24746694, -8.242517]",PBE,5.373663724163588,0.00893690372979657,6.0,1.0,4.0400495808356505,-4.0400495808356505,dB,FindHistory,5.1565650454,0.023945539900000003,"[10.8051622349, 10.9189007847, 11.0326393346, 11.1463778844, 11.2601164342, 11.3738549841, 11.4875935339, 11.6013320838, 11.7150706336, 11.8288091834, 11.9425477333]" +17,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Fe,"[-8.21838862, -8.22539847, -8.23067443, -8.23432902, -8.23647014, -8.23716736, -8.23653711, -8.23464946, -8.23157253, -8.22737463, -8.22214035]",PBE,5.373663724163588,0.00893690372979657,22.0,1.0,2.146229386200377,-2.146229386200377,dB,FindHistory,5.2583325742,0.0206510507,"[10.7864469119, 10.8999884584, 11.0135300048, 11.1270715513, 11.2406130977, 11.3541546442, 11.4676961906, 11.581237737, 11.6947792835, 11.8083208299, 11.9218623764]" +18,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Fe,"[-8.21803527, -8.22500684, -8.23034228, -8.23403924, -8.23619875, -8.2369227, -8.23632237, -8.23442881, -8.23136114, -8.22722739, -8.22202775]",PBE,5.373663724163588,0.00893690372979657,18.0,1.0,1.4104162588883489,-1.4104162588883489,dB,FindHistory,5.2978726973,0.1303763337,"[10.7872077747, 10.9007573302, 11.0143068857, 11.1278564412, 11.2414059967, 11.3549555523, 11.4685051078, 11.5820546633, 11.6956042188, 11.8091537744, 11.9227033299]" +19,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Fe,"[-8.21855533, -8.22546179, -8.23063208, -8.23418723, -8.23624533, -8.23693543, -8.23629291, -8.2343835, -8.23129125, -8.2270701, -8.22187667]",PBE,5.373663724163588,0.00893690372979657,20.0,1.0,4.539151816790589,-4.539151816790589,dB,FindHistory,5.1297449696,0.1127205937,"[10.7888132443, 10.9023796995, 11.0159461548, 11.12951261, 11.2430790652, 11.3566455204, 11.4702119756, 11.5837784308, 11.697344886, 11.8109113412, 11.9244777964]" +20,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Fe,"[-8.21841919, -8.22539895, -8.23066382, -8.23431394, -8.23644107, -8.23713609, -8.23648263, -8.23457742, -8.23148764, -8.22730286, -8.22209318]",PBE,5.373663724163588,0.00893690372979657,44.0,1.0,0.0351923982125623,0.0351923982125623,dB,FindHistory,5.3755548453,0.06192603920000001,"[10.7870890616, 10.9006373675, 11.0141856734, 11.1277339793, 11.2412822853, 11.3548305912, 11.4683788971, 11.581927203, 11.6954755089, 11.8090238148, 11.9225721207]" +21,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Fe,"[-8.21842576, -8.22539586, -8.23066479, -8.23431923, -8.23644491, -8.23713715, -8.2364894, -8.23457718, -8.23147967, -8.22729119, -8.22207623]",PBE,5.373663724163588,0.00893690372979657,42.0,1.0,0.6944673276777719,-0.6944673276777719,dB,FindHistory,5.3363453853,0.0757805129,"[10.7872504765, 10.9008004815, 11.0143504865, 11.1279004916, 11.2414504966, 11.3550005016, 11.4685505066, 11.5821005116, 11.6956505166, 11.8092005217, 11.9227505267]" +22,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Fe,"[-8.21809367, -8.22506861, -8.2302769, -8.23401739, -8.23623698, -8.23697482, -8.23636427, -8.23454873, -8.23156234, -8.22747918, -8.22237401]",PBE,5.373663724163588,0.00893690372979657,16.0,1.0,3.0360386402664687,-3.0360386402664687,dB,FindHistory,5.2105172171,0.2026628468,"[10.7890187626, 10.9025873812, 11.0161559997, 11.1297246183, 11.2432932369, 11.3568618554, 11.470430474, 11.583999092500001, 11.6975677111, 11.8111363296, 11.9247049482]" +23,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Fe,"[-8.21512409, -8.2219299, -8.22610502, -8.228318550000001, -8.23071738, -8.23185147, -8.23169306, -8.23031722, -8.22780215, -8.22423678, -8.21969412]",PBE,5.373663724163588,0.00893690372979657,8.0,1.0,65.23865111245404,-65.23865111245404,dB,FindHistory,1.8679579952,2.8528323858,"[10.8075562434, 10.9213199933, 11.0350837432, 11.1488474932, 11.2626112431, 11.376374993, 11.490138743, 11.6039024929, 11.7176662428, 11.8314299928, 11.9451937427]" +24,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Fe,"[-8.2184384, -8.22541237, -8.23067763, -8.23432475, -8.23644697, -8.23714045, -8.2364883, -8.23457701, -8.23148289, -8.22729275, -8.22208134]",PBE,5.373663724163588,0.00893690372979657,60.0,1.0,0.19177439439033805,-0.19177439439033805,dB,FindHistory,5.3633584131,0.06527581040000001,"[10.7873039745, 10.9008545426, 11.0144051108, 11.1279556789, 11.2415062471, 11.3550568152, 11.4686073834, 11.5821579515, 11.6957085197, 11.8092590878, 11.922809656]" +25,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Fe,"[-8.21841191, -8.22539022, -8.23065754, -8.23431043, -8.23643989, -8.23713521, -8.23648738, -8.2345749, -8.23148672, -8.2272973, -8.22208929]",PBE,5.373663724163588,0.00893690372979657,50.0,1.0,0.2785176265550188,-0.2785176265550188,dB,FindHistory,5.3586971235,0.0706078468,"[10.7870381585, 10.9005859286, 11.0141336987, 11.1276814688, 11.2412292388, 11.3547770089, 11.468324779, 11.5818725491, 11.6954203192, 11.8089680893, 11.9225158594]" +26,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Fe,"[-8.21839598, -8.2253822, -8.23065341, -8.23430821, -8.23643776, -8.23713749, -8.23649142, -8.23458688, -8.23149808, -8.227312359999999, -8.22210592]",PBE,5.373663724163588,0.00893690372979657,52.0,1.0,0.11515426311034192,-0.11515426311034192,dB,FindHistory,5.3674757213,0.0621144888,"[10.7868014453, 10.9003467236, 11.013892002, 11.1274372804, 11.2409825587, 11.354527837100001, 11.4680731155, 11.5816183938, 11.6951636722, 11.8087089506, 11.922254229]" +27,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Fe,"[-8.21847676, -8.22543847, -8.23068407, -8.23429697, -8.23639233, -8.23705089, -8.2363878, -8.23446408, -8.23136895, -8.22717713, -8.22197835]",PBE,5.373663724163588,0.00893690372979657,28.0,1.0,3.2599157340028424,3.2599157340028424,dB,FindHistory,5.5488406334,0.0475261138,"[10.7882473399, 10.9018078382, 11.0153683365, 11.1289288348, 11.2424893331, 11.3560498314, 11.4696103297, 11.5831708281, 11.6967313264, 11.8102918247, 11.923852323]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Fe,"[-8.21843546, -8.22541033, -8.23067354, -8.23432212, -8.23644404, -8.23713858, -8.23648677, -8.23457362, -8.23148352, -8.22729349, -8.22208433]",PBE,5.373663724163588,0.00893690372979657,54.0,1.0,0.08857279517112475,-0.08857279517112475,dB,FindHistory,5.36890412,0.0660261177,"[10.7873516243, 10.900902694, 11.0144537638, 11.1280048335, 11.2415559032, 11.355106973, 11.4686580427, 11.5822091124, 11.6957601821, 11.8093112519, 11.9228623216]" +29,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Fe,"[-8.21843517, -8.22540819, -8.23067383, -8.23432114, -8.23644382, -8.23713203, -8.23647797, -8.23455868, -8.23146938, -8.2272843, -8.22208139]",PBE,5.373663724163588,0.00893690372979657,48.0,1.0,1.0482621062258597,1.0482621062258597,dB,FindHistory,5.4299938047000005,0.07782899139999999,"[10.7873614526, 10.9009126258, 11.014463799, 11.1280149722, 11.2415661454, 11.3551173186, 11.4686684918, 11.582219665, 11.6957708381, 11.8093220113, 11.9228731845]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Fe,"[-8.21843389, -8.22541163, -8.23067453, -8.23432338, -8.2364472, -8.23714161, -8.23649097, -8.23457822, -8.23148637, -8.22729679, -8.2220862]",PBE,11.355604240748,3.3873538399912394e-05,62.0,1.0,0.0008198987039776749,0.0008198987039776749,v0,FindHistory,11.3556973452,0.0002367721,"[10.7873008603, 10.9008513957, 11.014401931, 11.1279524664, 11.2415030018, 11.3550535372, 11.4686040725, 11.5821546079, 11.6957051433, 11.8092556787, 11.922806214]" +1,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Fe,"[-8.218461, -8.22544219, -8.23069858, -8.23434279, -8.23646324, -8.23715235, -8.23648528, -8.23456141, -8.23146653, -8.22727658, -8.22207463]",PBE,11.355604240748,3.3873538399912394e-05,38.0,1.0,0.004008685388730251,-0.004008685388730251,v0,FindHistory,11.3551490303,0.0003046958,"[10.787567278000001, 10.9011206178, 11.0146739575, 11.1282272973, 11.2417806371, 11.3553339768, 11.4688873166, 11.5824406564, 11.6959939961, 11.8095473359, 11.9231006757]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Fe,"[-8.19038668, -8.19795351, -8.20409141, -8.20888265, -8.21244237, -8.21486998, -8.2162663, -8.21659753, -8.21513477, -8.20013682, -8.19395421]",PBE,11.355604240748,3.3873538399912394e-05,4.0,1.0,1.1489179966649283,1.1489179966649283,v0,FindHistory,11.4860708215,0.029917983300000006,"[10.8017654626, 10.9154682569, 11.0291710512, 11.1428738456, 11.2565766399, 11.3702794343, 11.4839822286, 11.597685023, 11.7113878173, 11.8250906116, 11.938793406]" +3,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Fe,"[-8.21843198, -8.22540908, -8.2306797, -8.2343239, -8.23644724, -8.23713524, -8.23648131, -8.23456819, -8.23148176, -8.22729154, -8.22208504]",PBE,11.355604240748,3.3873538399912394e-05,46.0,1.0,0.0013453740088319672,-0.0013453740088319672,v0,FindHistory,11.3554514654,0.0002293493,"[10.7872931081, 10.9008435619, 11.0143940157, 11.1279444694, 11.2414949232, 11.355045377, 11.4685958307, 11.5821462845, 11.6956967383, 11.8092471921, 11.9227976458]" +4,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Fe,"[-8.21836612, -8.22533231, -8.230612, -8.2342731, -8.23640773, -8.23709551, -8.23643988, -8.23452733, -8.23145859, -8.22728899, -8.22209218]",PBE,11.355604240748,3.3873538399912394e-05,24.0,1.0,0.00978803090028812,0.00978803090028812,v0,FindHistory,11.3567157308,0.0003718947,"[10.7880297885, 10.9015879968, 11.0151462051, 11.1287044134, 11.2422626217, 11.35582083, 11.4693790383, 11.5829372466, 11.696495455, 11.8100536633, 11.9236118716]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Fe,"[-8.21845315, -8.22543068, -8.23069173, -8.23433307, -8.23644611, -8.23713954, -8.23648176, -8.23456064, -8.23147199, -8.22727645, -8.22206295]",PBE,11.355604240748,3.3873538399912394e-05,40.0,1.0,0.0006249270976267185,-0.0006249270976267185,v0,FindHistory,11.355533276500001,0.0002109402,"[10.7876478625, 10.9012020505, 11.0147562385, 11.1283104265, 11.2418646146, 11.3554188026, 11.4689729906, 11.5825271786, 11.6960813667, 11.8096355547, 11.9231897427]" +6,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Fe,"[-8.21846379, -8.22542836, -8.23069293, -8.23434244, -8.2364667, -8.2371465, -8.23647235, -8.2345615, -8.23145651, -8.22724294, -8.22202265]",PBE,11.355604240748,3.3873538399912394e-05,30.0,1.0,0.0023625492955858646,-0.0023625492955858646,v0,FindHistory,11.355335959000001,0.0003186135,"[10.7876924722, 10.9012471298, 11.0148017874, 11.128356445, 11.2419111026, 11.3554657602, 11.4690204178, 11.5825750754, 11.696129733, 11.8096843906, 11.9232390482]" +7,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Fe,"[-8.21846231, -8.22543433, -8.23068748, -8.23432143, -8.23644068, -8.23713076, -8.23647419, -8.23455406, -8.23146114, -8.22726985, -8.2220506]",PBE,11.355604240748,3.3873538399912394e-05,32.0,1.0,0.0038013190918459207,0.0038013190918459207,v0,FindHistory,11.356035903499999,0.000205431,"[10.7880989258, 10.9016578619, 11.015216798, 11.128775734, 11.2423346701, 11.3558936061, 11.4694525422, 11.5830114783, 11.6965704143, 11.8101293504, 11.9236882865]" +8,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Fe,"[-8.21777143, -8.22476353, -8.23003344, -8.23365215, -8.23594074, -8.23679667, -8.2363104, -8.23455745, -8.23161414, -8.22756755, -8.22221926]",PBE,11.355604240748,3.3873538399912394e-05,12.0,1.0,0.10712034687110196,0.10712034687110196,v0,FindHistory,11.3677684034,0.0010894171000000001,"[10.7853585395, 10.8988886294, 11.0124187192, 11.1259488091, 11.239478899, 11.3530089889, 11.4665390788, 11.5800691687, 11.6935992586, 11.8071293485, 11.9206594384]" +9,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Fe,"[-8.21833713, -8.225296610000001, -8.23056074, -8.23420215, -8.23633782, -8.23704737, -8.23640893, -8.23449771, -8.2313989, -8.2272187, -8.22201971]",PBE,11.355604240748,3.3873538399912394e-05,26.0,1.0,0.012191190557988747,0.012191190557988747,v0,FindHistory,11.356988624100001,0.00036049400000000016,"[10.78781455, 10.9013704926, 11.0149264353, 11.1284823779, 11.2420383205, 11.3555942632, 11.4691502058, 11.5827061484, 11.6962620911, 11.809818033700001, 11.9233739763]" +10,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Fe,"[-8.21843136, -8.22540973, -8.23067272, -8.23432091, -8.23644575, -8.23713455, -8.23648147, -8.23457032, -8.23148008, -8.22729433, -8.22208859]",PBE,11.355604240748,3.3873538399912394e-05,56.0,1.0,0.000360106315216858,-0.000360106315216858,v0,FindHistory,11.355563348499999,0.000242323,"[10.7873138721, 10.900864544400001, 11.0144152167, 11.1279658891, 11.2415165614, 11.3550672337, 11.4686179061, 11.5821685784, 11.6957192507, 11.8092699231, 11.9228205954]" +11,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Fe,"[-8.2180999, -8.22525299, -8.23067544, -8.23444397, -8.23667165, -8.23751097, -8.23682273, -8.23483192, -8.23111165, -8.22698013, -8.22171817]",PBE,11.355604240748,3.3873538399912394e-05,10.0,1.0,0.036970920780558345,-0.036970920780558345,v0,FindHistory,11.3514059693,0.0034270943,"[10.7848789268, 10.8984039681, 11.0119290094, 11.1254540508, 11.2389790921, 11.3525041334, 11.4660291748, 11.5795542161, 11.6930792574, 11.8066042988, 11.9201293401]" +12,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Fe,"[-8.21842952, -8.22540705, -8.2306706, -8.23431514, -8.23644577, -8.23713781, -8.23648886, -8.23457259, -8.23148011, -8.22729403, -8.2220888]",PBE,11.355604240748,3.3873538399912394e-05,58.0,1.0,0.00014626564688185976,-0.00014626564688185976,v0,FindHistory,11.3555876314,0.000274025,"[10.7872153246, 10.9007649596, 11.0143145946, 11.1278642296, 11.2414138646, 11.3549634996, 11.4685131346, 11.5820627696, 11.6956124046, 11.8091620396, 11.9227116746]" +13,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Fe,"[-8.21846292, -8.22541946, -8.2306807, -8.23431919, -8.23643497, -8.23711827, -8.23647168, -8.23456498, -8.23147621, -8.22728835, -8.22208404]",PBE,11.355604240748,3.3873538399912394e-05,36.0,1.0,0.0011069102914650648,0.0011069102914650648,v0,FindHistory,11.3557299371,0.0002246158,"[10.7875053565, 10.9010580444, 11.0146107324, 11.1281634203, 11.2417161083, 11.3552687963, 11.4688214842, 11.5823741722, 11.6959268602, 11.8094795481, 11.9230322361]" +14,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Fe,"[-8.21876306, -8.22587862, -8.23115225, -8.23478811, -8.23694947, -8.23772017, -8.23713539, -8.23526508, -8.2321956, -8.22802104, -8.22284621]",PBE,11.355604240748,3.3873538399912394e-05,14.0,1.0,0.024057890659807676,0.024057890659807676,v0,FindHistory,11.3583361596,0.0006477277,"[10.7863984831, 10.8999395198, 11.0134805564, 11.1270215931, 11.2405626297, 11.3541036664, 11.4676447031, 11.5811857397, 11.6947267764, 11.8082678131, 11.9218088497]" +15,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Fe,"[-8.21841369, -8.22539143, -8.23065947, -8.23430972, -8.23643063, -8.23712857, -8.2364829, -8.23456894, -8.23147424, -8.22728518, -8.22206625]",PBE,11.355604240748,3.3873538399912394e-05,34.0,1.0,0.004432003276352445,0.004432003276352445,v0,FindHistory,11.3561075215,0.0002202065,"[10.7875597449, 10.901113005300001, 11.0146662658, 11.1282195263, 11.2417727867, 11.3553260472, 11.4688793077, 11.5824325682, 11.6959858286, 11.8095390891, 11.923092349600001]" +16,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Fe,"[-8.23319101, -8.24106044, -8.24712648, -8.2515015, -8.25428922, -8.25557426, -8.25545266, -8.25401402, -8.2513226, -8.24746694, -8.242517]",PBE,11.355604240748,3.3873538399912394e-05,6.0,1.0,0.5718969407102424,0.5718969407102424,v0,FindHistory,11.420546594000001,8.549170000000001e-05,"[10.8051622349, 10.9189007847, 11.0326393346, 11.1463778844, 11.2601164342, 11.3738549841, 11.4875935339, 11.6013320838, 11.7150706336, 11.8288091834, 11.9425477333]" +17,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Fe,"[-8.21838862, -8.22539847, -8.23067443, -8.23432902, -8.23647014, -8.23716736, -8.23653711, -8.23464946, -8.23157253, -8.22737463, -8.22214035]",PBE,11.355604240748,3.3873538399912394e-05,22.0,1.0,0.0043950972701944585,0.0043950972701944585,v0,FindHistory,11.3561033306,7.53826e-05,"[10.7864469119, 10.8999884584, 11.0135300048, 11.1270715513, 11.2406130977, 11.3541546442, 11.4676961906, 11.581237737, 11.6947792835, 11.8083208299, 11.9218623764]" +18,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Fe,"[-8.21803527, -8.22500684, -8.23034228, -8.23403924, -8.23619875, -8.2369227, -8.23632237, -8.23442881, -8.23136114, -8.22722739, -8.22202775]",PBE,11.355604240748,3.3873538399912394e-05,18.0,1.0,0.028967067557675676,0.028967067557675676,v0,FindHistory,11.3588936263,0.0004757383,"[10.7872077747, 10.9007573302, 11.0143068857, 11.1278564412, 11.2414059967, 11.3549555523, 11.4685051078, 11.5820546633, 11.6956042188, 11.8091537744, 11.9227033299]" +19,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Fe,"[-8.21855533, -8.22546179, -8.23063208, -8.23418723, -8.23624533, -8.23693543, -8.23629291, -8.2343835, -8.23129125, -8.2270701, -8.22187667]",PBE,11.355604240748,3.3873538399912394e-05,20.0,1.0,0.0008042183406774072,0.0008042183406774072,v0,FindHistory,11.3556955646,0.000411802,"[10.7888132443, 10.9023796995, 11.0159461548, 11.12951261, 11.2430790652, 11.3566455204, 11.4702119756, 11.5837784308, 11.697344886, 11.8109113412, 11.9244777964]" +20,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Fe,"[-8.21842576, -8.22539586, -8.23066479, -8.23431923, -8.23644491, -8.23713715, -8.2364894, -8.23457718, -8.23147967, -8.22729119, -8.22207623]",PBE,11.355604240748,3.3873538399912394e-05,42.0,1.0,0.0014175683529310983,0.0014175683529310983,v0,FindHistory,11.355765214200002,0.0002766805,"[10.7872504765, 10.9008004815, 11.0143504865, 11.1279004916, 11.2414504966, 11.3550005016, 11.4685505066, 11.5821005116, 11.6956505166, 11.8092005217, 11.9227505267]" +21,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Fe,"[-8.21841919, -8.22539895, -8.23066382, -8.23431394, -8.23644107, -8.23713609, -8.23648263, -8.23457742, -8.23148764, -8.22730286, -8.22209318]",PBE,11.355604240748,3.3873538399912394e-05,44.0,1.0,0.0001572628952376269,0.0001572628952376269,v0,FindHistory,11.355622098900001,0.0002260986,"[10.7870890616, 10.9006373675, 11.0141856734, 11.1277339793, 11.2412822853, 11.3548305912, 11.4683788971, 11.581927203, 11.6954755089, 11.8090238148, 11.9225721207]" +22,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Fe,"[-8.21809367, -8.22506861, -8.2302769, -8.23401739, -8.23623698, -8.23697482, -8.23636427, -8.23454873, -8.23156234, -8.22747918, -8.22237401]",PBE,11.355604240748,3.3873538399912394e-05,16.0,1.0,0.07327987023480867,0.07327987023480867,v0,FindHistory,11.3639256128,0.0007391572,"[10.7890187626, 10.9025873812, 11.0161559997, 11.1297246183, 11.2432932369, 11.3568618554, 11.470430474, 11.583999092500001, 11.6975677111, 11.8111363296, 11.9247049482]" +23,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Fe,"[-8.21512409, -8.2219299, -8.22610502, -8.228318550000001, -8.23071738, -8.23185147, -8.23169306, -8.23031722, -8.22780215, -8.22423678, -8.21969412]",PBE,11.355604240748,3.3873538399912394e-05,8.0,1.0,0.437561993167243,0.437561993167243,v0,FindHistory,11.405292049000002,0.0103544807,"[10.8075562434, 10.9213199933, 11.0350837432, 11.1488474932, 11.2626112431, 11.376374993, 11.490138743, 11.6039024929, 11.7176662428, 11.8314299928, 11.9451937427]" +24,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Fe,"[-8.2184384, -8.22541237, -8.23067763, -8.23432475, -8.23644697, -8.23714045, -8.2364883, -8.23457701, -8.23148289, -8.22729275, -8.22208134]",PBE,11.355604240748,3.3873538399912394e-05,60.0,1.0,0.00025208303664877457,0.00025208303664877457,v0,FindHistory,11.3556328663,0.0002383319,"[10.7873039745, 10.9008545426, 11.0144051108, 11.1279556789, 11.2415062471, 11.3550568152, 11.4686073834, 11.5821579515, 11.6957085197, 11.8092590878, 11.922809656]" +25,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Fe,"[-8.21841191, -8.22539022, -8.23065754, -8.23431043, -8.23643989, -8.23713521, -8.23648738, -8.2345749, -8.23148672, -8.2272973, -8.22208929]",PBE,11.355604240748,3.3873538399912394e-05,50.0,1.0,0.0004696830821793089,0.0004696830821793089,v0,FindHistory,11.355657576099999,0.0002577847,"[10.7870381585, 10.9005859286, 11.0141336987, 11.1276814688, 11.2412292388, 11.3547770089, 11.468324779, 11.5818725491, 11.6954203192, 11.8089680893, 11.9225158594]" +26,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Fe,"[-8.21839598, -8.2253822, -8.23065341, -8.23430821, -8.23643776, -8.23713749, -8.23649142, -8.23458688, -8.23149808, -8.227312359999999, -8.22210592]",PBE,11.355604240748,3.3873538399912394e-05,52.0,1.0,0.00028260981378504214,0.00028260981378504214,v0,FindHistory,11.3556363328,0.0002267619,"[10.7868014453, 10.9003467236, 11.013892002, 11.1274372804, 11.2409825587, 11.354527837100001, 11.4680731155, 11.5816183938, 11.6951636722, 11.8087089506, 11.922254229]" +27,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Fe,"[-8.21847676, -8.22543847, -8.23068407, -8.23429697, -8.23639233, -8.23705089, -8.2363878, -8.23446408, -8.23136895, -8.22717713, -8.22197835]",PBE,11.355604240748,3.3873538399912394e-05,28.0,1.0,0.008532470201131221,-0.008532470201131221,v0,FindHistory,11.3546353272,0.00017356889999999998,"[10.7882473399, 10.9018078382, 11.0153683365, 11.1289288348, 11.2424893331, 11.3560498314, 11.4696103297, 11.5831708281, 11.6967313264, 11.8102918247, 11.923852323]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Fe,"[-8.21843546, -8.22541033, -8.23067354, -8.23432212, -8.23644404, -8.23713858, -8.23648677, -8.23457362, -8.23148352, -8.22729349, -8.22208433]",PBE,11.355604240748,3.3873538399912394e-05,54.0,1.0,0.0009330366729343955,0.0009330366729343955,v0,FindHistory,11.3557101927,0.00024107110000000002,"[10.7873516243, 10.900902694, 11.0144537638, 11.1280048335, 11.2415559032, 11.355106973, 11.4686580427, 11.5822091124, 11.6957601821, 11.8093112519, 11.9228623216]" +29,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Fe,"[-8.21843517, -8.22540819, -8.23067383, -8.23432114, -8.23644382, -8.23713203, -8.23647797, -8.23455868, -8.23146938, -8.2272843, -8.22208139]",PBE,11.355604240748,3.3873538399912394e-05,48.0,1.0,0.0015632241511426585,-0.0015632241511426585,v0,FindHistory,11.355426727200001,0.0002841621,"[10.7873614526, 10.9009126258, 11.014463799, 11.1280149722, 11.2415661454, 11.3551173186, 11.4686684918, 11.582219665, 11.6957708381, 11.8093220113, 11.9228731845]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.4833091184735706,-0.4833091184735706,B,bcc,8.1746905834,0.010023115,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,8.214391486481281,0.0311850545258783,48.0,1.0,0.39705524106559076,0.39705524106559076,B,bcc,8.2470071584,0.0180749845,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.47920230422499555,-0.47920230422499555,B,bcc,8.1750279332,0.0091009365,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,8.214391486481281,0.0311850545258783,68.0,1.0,0.14168023158422918,-0.14168023158422918,B,bcc,8.2027533176,0.0074217726,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,8.214391486481281,0.0311850545258783,60.0,1.0,0.8753121985609031,0.8753121985609031,B,bcc,8.2862930572,0.0288565236,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,8.214391486481281,0.0311850545258783,56.0,1.0,0.2825310154681151,-0.2825310154681151,B,bcc,8.191183282799999,0.008037049400000001,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.4833091184735706,-0.4833091184735706,B,bcc,8.1746905834,0.010023115,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,8.214391486481281,0.0311850545258783,48.0,1.0,0.39705524106559076,0.39705524106559076,B,bcc,8.2470071584,0.0180749845,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,8.214391486481281,0.0311850545258783,58.0,1.0,0.47920230422499555,-0.47920230422499555,B,bcc,8.1750279332,0.0091009365,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,8.214391486481281,0.0311850545258783,68.0,1.0,0.14168023158422918,-0.14168023158422918,B,bcc,8.2027533176,0.0074217726,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,8.214391486481281,0.0311850545258783,60.0,1.0,0.8753121985609031,0.8753121985609031,B,bcc,8.2862930572,0.0288565236,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,8.214391486481281,0.0311850545258783,56.0,1.0,0.2825310154681151,-0.2825310154681151,B,bcc,8.191183282799999,0.008037049400000001,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,-0.0025055521676263888,0.0025055521676263888,E0,bcc,-0.18079779710000002,8.993000000000002e-07,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,-0.180793267230374,2.03295697320801e-06,48.0,1.0,-0.009251212659758978,0.009251212659758978,E0,bcc,-0.1808099928,1.7245e-06,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,-0.0025670588828317635,0.0025670588828317635,E0,bcc,-0.1807979083,8.338000000000002e-07,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,-0.180793267230374,2.03295697320801e-06,68.0,1.0,-0.0018968458718243504,0.0018968458718243504,E0,bcc,-0.1807966966,6.623999999999999e-07,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,-0.180793267230374,2.03295697320801e-06,60.0,1.0,-0.005757719734517407,0.005757719734517407,E0,bcc,-0.1808036768,2.5704000000000004e-06,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,-0.180793267230374,2.03295697320801e-06,56.0,1.0,-0.0026690538314361203,0.0026690538314361203,E0,bcc,-0.1807980927,9.242e-07,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,-0.0025055521676263888,0.0025055521676263888,E0,bcc,-0.18079779710000002,8.993000000000002e-07,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,-0.180793267230374,2.03295697320801e-06,48.0,1.0,-0.009251212659758978,0.009251212659758978,E0,bcc,-0.1808099928,1.7245e-06,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,-0.180793267230374,2.03295697320801e-06,58.0,1.0,-0.0025670588828317635,0.0025670588828317635,E0,bcc,-0.1807979083,8.338000000000002e-07,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,-0.180793267230374,2.03295697320801e-06,68.0,1.0,-0.0018968458718243504,0.0018968458718243504,E0,bcc,-0.1807966966,6.623999999999999e-07,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,-0.180793267230374,2.03295697320801e-06,60.0,1.0,-0.005757719734517407,0.005757719734517407,E0,bcc,-0.1808036768,2.5704000000000004e-06,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,-0.180793267230374,2.03295697320801e-06,56.0,1.0,-0.0026690538314361203,0.0026690538314361203,E0,bcc,-0.1807980927,9.242e-07,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.508864091450386,8.508864091450386,dB,bcc,10.8542642494,0.0836830051,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,10.0031129625061,0.283952435481955,48.0,1.0,10.21664187263023,10.21664187263023,dB,bcc,11.02509519,0.1637188148,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.595006349688381,8.595006349688381,dB,bcc,10.8628811568,0.0783839709,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,10.0031129625061,0.283952435481955,68.0,1.0,3.013115505379532,3.013115505379532,dB,bcc,10.3045183102,0.06157828570000001,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,10.0031129625061,0.283952435481955,60.0,1.0,0.8631195530583071,0.8631195530583071,dB,bcc,10.0894517864,0.2368326717,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,10.0031129625061,0.283952435481955,56.0,1.0,0.4590875337110568,0.4590875337110568,dB,bcc,10.0490360071,0.0969029534,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.508864091450386,8.508864091450386,dB,bcc,10.8542642494,0.0836830051,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,10.0031129625061,0.283952435481955,48.0,1.0,10.21664187263023,10.21664187263023,dB,bcc,11.02509519,0.1637188148,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,10.0031129625061,0.283952435481955,58.0,1.0,8.595006349688381,8.595006349688381,dB,bcc,10.8628811568,0.0783839709,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,10.0031129625061,0.283952435481955,68.0,1.0,3.013115505379532,3.013115505379532,dB,bcc,10.3045183102,0.06157828570000001,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,10.0031129625061,0.283952435481955,60.0,1.0,0.8631195530583071,0.8631195530583071,dB,bcc,10.0894517864,0.2368326717,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,10.0031129625061,0.283952435481955,56.0,1.0,0.4590875337110568,0.4590875337110568,dB,bcc,10.0490360071,0.0969029534,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,29.766286227319608,0.00312870271438846,58.0,1.0,0.02745522789506773,-0.02745522789506773,v0,bcc,29.7581138256,0.0007377050000000001,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,29.766286227319608,0.00312870271438846,48.0,1.0,0.04115093977819007,-0.04115093977819007,v0,bcc,29.7540371208,0.0014756462,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,29.766286227319608,0.00312870271438846,58.0,1.0,0.027796812327938954,-0.027796812327938954,v0,bcc,29.758012148600002,0.0006964897,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,29.766286227319608,0.00312870271438846,68.0,1.0,0.01008807748695708,-0.01008807748695708,v0,bcc,29.763283381300006,0.0005415612,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,29.766286227319608,0.00312870271438846,60.0,1.0,0.007252382118219612,-0.007252382118219612,v0,bcc,29.7641274625,0.0020809602000000003,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,29.766286227319608,0.00312870271438846,56.0,1.0,0.002447296497877135,0.002447296497877135,v0,bcc,29.767014696599997,0.0009169379,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767679, -0.17876143, -0.17958645, -0.18017792, -0.18056095, -0.18075904, -0.18079149, -0.18067962, -0.18044262, -0.18008918000000002, -0.17963207]",PBE,29.766286227319608,0.00312870271438846,58.0,1.0,0.02745522789506773,-0.02745522789506773,v0,bcc,29.7581138256,0.0007377050000000001,"[28.0666716702, 28.3621103194, 28.6575489685, 28.9529876177, 29.2484262668, 29.543864916, 29.8393035652, 30.1347422143, 30.4301808635, 30.7256195126, 31.0210581618]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17783063000000002, -0.17888713, -0.17968714, -0.18025404, -0.18061347, -0.18078875, -0.18079683, -0.18066217, -0.18040028, -0.18002612, -0.17955716]",PBE,29.766286227319608,0.00312870271438846,48.0,1.0,0.04115093977819007,-0.04115093977819007,v0,bcc,29.7540371208,0.0014756462,"[28.1058884098, 28.4017398667, 28.6975913236, 28.9934427806, 29.2892942375, 29.5851456945, 29.8809971514, 30.1768486084, 30.4727000653, 30.7685515223, 31.0644029792]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17773609999999998, -0.17880799, -0.17962132, -0.18020199, -0.18057538, -0.18076455, -0.18078916, -0.18067048, -0.18042691, -0.18006723, -0.17960479999999998]",PBE,29.766286227319608,0.00312870271438846,58.0,1.0,0.027796812327938954,-0.027796812327938954,v0,bcc,29.758012148600002,0.0006964897,"[28.081040363, 28.3766302616, 28.6722201601, 28.9678100587, 29.2633999573, 29.5589898558, 29.8545797544, 30.1501696529, 30.4457595515, 30.7413494501, 31.0369393486]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17767257, -0.17875476, -0.17957682, -0.18016642, -0.18055008, -0.1807513, -0.18079331, -0.18068553, -0.18044646, -0.18009017, -0.17963014]",PBE,29.766286227319608,0.00312870271438846,68.0,1.0,0.01008807748695708,-0.01008807748695708,v0,bcc,29.763283381300006,0.0005415612,"[28.0651406245, 28.3605631574, 28.6559856903, 28.9514082232, 29.246830756, 29.5422532889, 29.8376758218, 30.1330983547, 30.4285208876, 30.7239434205, 31.0193659534]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Hg,"[-0.17765773, -0.17873452, -0.17956304, -0.18016565, -0.18055859999999999, -0.18076289, -0.18080081, -0.18068969000000001, -0.18044674, -0.18008834, -0.17963189000000002]",PBE,29.766286227319608,0.00312870271438846,60.0,1.0,0.007252382118219612,-0.007252382118219612,v0,bcc,29.7641274625,0.0020809602000000003,"[28.0635919412, 28.3589981722, 28.6544044031, 28.9498106341, 29.2452168651, 29.540623096, 29.836029327, 30.1314355579, 30.4268417889, 30.7222480199, 31.0176542508]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17837488, -0.1792936, -0.17996962, -0.1804288, -0.18070053, -0.18079941, -0.18074188, -0.18054526, -0.18022467, -0.17979516, -0.17926999]",PBE,29.766286227319608,0.00312870271438846,56.0,1.0,0.002447296497877135,0.002447296497877135,v0,bcc,29.767014696599997,0.0009169379,"[28.2469726875, 28.5443092421, 28.8416457968, 29.1389823514, 29.436318906, 29.7336554606, 30.0309920152, 30.3283285698, 30.6256651244, 30.923001679, 31.2203382336]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,6.62531415108176,0.0314460516869529,60.0,1.0,0.22858004274058066,0.22858004274058066,B,fcc,6.640458297,0.0195490522,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,6.62531415108176,0.0314460516869529,58.0,1.0,0.1941301865080753,0.1941301865080753,B,fcc,6.638175885800001,0.019671988,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,6.62531415108176,0.0314460516869529,68.0,1.0,0.032422521148037516,-0.032422521148037516,B,fcc,6.6231660572000015,0.0046093727,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,6.62531415108176,0.0314460516869529,70.0,1.0,0.22063795293168642,0.22063795293168642,B,fcc,6.6399321086,0.0176702385,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,6.62531415108176,0.0314460516869529,60.0,1.0,0.22858004274058066,0.22858004274058066,B,fcc,6.640458297,0.0195490522,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,6.62531415108176,0.0314460516869529,58.0,1.0,0.1941301865080753,0.1941301865080753,B,fcc,6.638175885800001,0.019671988,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,6.62531415108176,0.0314460516869529,68.0,1.0,0.032422521148037516,-0.032422521148037516,B,fcc,6.6231660572000015,0.0046093727,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,6.62531415108176,0.0314460516869529,70.0,1.0,0.22063795293168642,0.22063795293168642,B,fcc,6.6399321086,0.0176702385,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,-0.17538820820867798,9.403298840808581e-07,60.0,1.0,-0.00016659690237055057,0.00016659690237055057,E0,fcc,-0.17538850039999998,1.6943e-06,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,-0.17538820820867798,9.403298840808581e-07,58.0,1.0,-0.00011876016302533845,0.00011876016302533845,E0,fcc,-0.17538841649999998,1.7056e-06,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,-0.17538820820867798,9.403298840808581e-07,68.0,1.0,-0.00011603327272886012,-0.00011603327272886012,E0,fcc,-0.17538800470000002,4.946e-07,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,-0.17538820820867798,9.403298840808581e-07,70.0,1.0,-0.00018296060225012132,0.00018296060225012132,E0,fcc,-0.1753885291,1.5321000000000001e-06,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,-0.17538820820867798,9.403298840808581e-07,60.0,1.0,-0.00016659690237055057,0.00016659690237055057,E0,fcc,-0.17538850039999998,1.6943e-06,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,-0.17538820820867798,9.403298840808581e-07,58.0,1.0,-0.00011876016302533845,0.00011876016302533845,E0,fcc,-0.17538841649999998,1.7056e-06,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,-0.17538820820867798,9.403298840808581e-07,68.0,1.0,-0.00011603327272886012,-0.00011603327272886012,E0,fcc,-0.17538800470000002,4.946e-07,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,-0.17538820820867798,9.403298840808581e-07,70.0,1.0,-0.00018296060225012132,0.00018296060225012132,E0,fcc,-0.1753885291,1.5321000000000001e-06,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,7.208116039089051,0.885329880349548,60.0,1.0,6.823233046220567,-6.823233046220567,dB,fcc,6.7162894835000015,0.17321166300000002,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,7.208116039089051,0.885329880349548,58.0,1.0,6.662544002964508,-6.662544002964508,dB,fcc,6.7278721362,0.1744201222,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,7.208116039089051,0.885329880349548,68.0,1.0,0.1587567243492235,0.1587567243492235,dB,fcc,7.219559407999999,0.0548874736,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,7.208116039089051,0.885329880349548,70.0,1.0,6.179459055231053,-6.179459055231053,dB,fcc,6.7626934598,0.15656526380000002,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,7.208116039089051,0.885329880349548,60.0,1.0,6.823233046220567,-6.823233046220567,dB,fcc,6.7162894835000015,0.17321166300000002,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,7.208116039089051,0.885329880349548,58.0,1.0,6.662544002964508,-6.662544002964508,dB,fcc,6.7278721362,0.1744201222,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,7.208116039089051,0.885329880349548,68.0,1.0,0.1587567243492235,0.1587567243492235,dB,fcc,7.219559407999999,0.0548874736,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,7.208116039089051,0.885329880349548,70.0,1.0,6.179459055231053,-6.179459055231053,dB,fcc,6.7626934598,0.15656526380000002,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,32.924754280772,0.00530097376419055,60.0,1.0,0.009437508026648729,0.009437508026648729,v0,fcc,32.9278615571,0.0015811391,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,32.924754280772,0.00530097376419055,58.0,1.0,0.009486980225779944,0.009486980225779944,v0,fcc,32.9278778457,0.0015924881,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,32.924754280772,0.00530097376419055,68.0,1.0,0.0003269408514872085,-0.0003269408514872085,v0,fcc,32.924646636300004,0.0005494748,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,32.924754280772,0.00530097376419055,70.0,1.0,0.008640406861481457,0.008640406861481457,v0,fcc,32.9275991135,0.0014295956,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243681, -0.17337022, -0.17411907000000001, -0.17468136, -0.17507113, -0.17530291, -0.17538782, -0.17533762, -0.17516344, -0.17487467, -0.17448172]",PBE,32.924754280772,0.00530097376419055,60.0,1.0,0.009437508026648729,0.009437508026648729,v0,fcc,32.9278615571,0.0015811391,"[30.9322899199, 31.2578929717, 31.5834960234, 31.9090990752, 32.234702127, 32.5603051788, 32.8859082306, 33.2115112824, 33.5371143342, 33.862717386, 34.1883204377]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243808, -0.17337118, -0.17411992, -0.17468189, -0.17507162, -0.17530301, -0.17538761, -0.1753373, -0.17516343, -0.17487439999999999, -0.17448154]",PBE,32.924754280772,0.00530097376419055,58.0,1.0,0.009486980225779944,0.009486980225779944,v0,fcc,32.9278778457,0.0015924881,"[30.9326367103, 31.2582434126, 31.5838501148, 31.909456817, 32.2350635192, 32.5606702214, 32.8862769236, 33.2118836258, 33.5374903281, 33.8630970303, 34.1887037325]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17291104000000002, -0.17376473, -0.17442263, -0.17489855, -0.17520824000000002, -0.17536411000000002, -0.17537833, -0.17526114, -0.17502399, -0.17467636, -0.17422944]",PBE,32.924754280772,0.00530097376419055,68.0,1.0,0.0003269408514872085,-0.0003269408514872085,v0,fcc,32.924646636300004,0.0005494748,"[31.0916004036, 31.4188804078, 31.7461604121, 32.0734404163, 32.4007204206, 32.7280004248, 33.0552804291, 33.3825604333, 33.7098404376, 34.0371204418, 34.3644004461]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Hg,"[-0.17243526, -0.17337052, -0.17411962, -0.1746816, -0.17507142, -0.17530264, -0.17538795000000001, -0.17533786, -0.17516341, -0.17487428, -0.17448148]",PBE,32.924754280772,0.00530097376419055,70.0,1.0,0.008640406861481457,0.008640406861481457,v0,fcc,32.9275991135,0.0014295956,"[30.9325317398, 31.2581373371, 31.5837429344, 31.9093485316, 32.2349541289, 32.5605597261, 32.8861653234, 33.2117709207, 33.5373765179, 33.8629821152, 34.1885877124]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,7.663903494820629,0.000598274317071123,16.0,1.0,0.021230834658476926,0.021230834658476926,B,hcp,7.6655306055,0.0056891409,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,7.663903494820629,0.000598274317071123,22.0,1.0,0.014475415564928632,0.014475415564928632,B,hcp,7.6650128767,0.004299184,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,7.663903494820629,0.000598274317071123,26.0,1.0,0.0048221943410479955,-0.0048221943410479955,B,hcp,7.663533926499999,0.0037051777000000003,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,7.663903494820629,0.000598274317071123,24.0,1.0,0.01238312930236718,0.01238312930236718,B,hcp,7.6648525259000015,0.0051004795,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,7.663903494820629,0.000598274317071123,20.0,1.0,0.007956640125259215,-0.007956640125259215,B,hcp,7.663293705599999,0.0050793379000000005,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,7.663903494820629,0.000598274317071123,20.0,1.0,0.012405970681541938,-0.012405970681541938,B,hcp,7.6629527132,0.0044598026,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,7.663903494820629,0.000598274317071123,18.0,1.0,0.013766533220856584,-0.013766533220856584,B,hcp,7.662848441,0.0038263186,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,7.663903494820629,0.000598274317071123,16.0,1.0,0.021230834658476926,0.021230834658476926,B,hcp,7.6655306055,0.0056891409,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,7.663903494820629,0.000598274317071123,22.0,1.0,0.014475415564928632,0.014475415564928632,B,hcp,7.6650128767,0.004299184,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,7.663903494820629,0.000598274317071123,26.0,1.0,0.0048221943410479955,-0.0048221943410479955,B,hcp,7.663533926499999,0.0037051777000000003,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,7.663903494820629,0.000598274317071123,24.0,1.0,0.01238312930236718,0.01238312930236718,B,hcp,7.6648525259000015,0.0051004795,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,7.663903494820629,0.000598274317071123,20.0,1.0,0.007956640125259215,-0.007956640125259215,B,hcp,7.663293705599999,0.0050793379000000005,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,7.663903494820629,0.000598274317071123,20.0,1.0,0.012405970681541938,-0.012405970681541938,B,hcp,7.6629527132,0.0044598026,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,7.663903494820629,0.000598274317071123,18.0,1.0,0.013766533220856584,-0.013766533220856584,B,hcp,7.662848441,0.0038263186,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,-0.37824131944020795,7.36749540478661e-07,16.0,1.0,-0.0015342163612657176,-0.0015342163612657176,E0,hcp,-0.3782355164,1.0489e-06,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,-0.37824131944020795,7.36749540478661e-07,22.0,1.0,-0.0007194983911308773,-0.0007194983911308773,E0,hcp,-0.378238598,7.863e-07,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,-0.37824131944020795,7.36749540478661e-07,26.0,1.0,-0.0005234859615261078,-0.0005234859615261078,E0,hcp,-0.3782393394,6.837e-07,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,-0.37824131944020795,7.36749540478661e-07,24.0,1.0,-0.0010565319023922628,-0.0010565319023922628,E0,hcp,-0.37823732320000003,9.364e-07,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,-0.37824131944020795,7.36749540478661e-07,20.0,1.0,-0.0012404092220237308,-0.0012404092220237308,E0,hcp,-0.3782366277000001,9.243e-07,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,-0.37824131944020795,7.36749540478661e-07,20.0,1.0,-0.0018353733056558719,-0.0018353733056558719,E0,hcp,-0.3782343773,8.453e-07,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,-0.37824131944020795,7.36749540478661e-07,18.0,1.0,-0.0013773059526256955,-0.0013773059526256955,E0,hcp,-0.3782361099,7.022e-07,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,-0.37824131944020795,7.36749540478661e-07,16.0,1.0,-0.0015342163612657176,-0.0015342163612657176,E0,hcp,-0.3782355164,1.0489e-06,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,-0.37824131944020795,7.36749540478661e-07,22.0,1.0,-0.0007194983911308773,-0.0007194983911308773,E0,hcp,-0.378238598,7.863e-07,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,-0.37824131944020795,7.36749540478661e-07,26.0,1.0,-0.0005234859615261078,-0.0005234859615261078,E0,hcp,-0.3782393394,6.837e-07,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,-0.37824131944020795,7.36749540478661e-07,24.0,1.0,-0.0010565319023922628,-0.0010565319023922628,E0,hcp,-0.37823732320000003,9.364e-07,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,-0.37824131944020795,7.36749540478661e-07,20.0,1.0,-0.0012404092220237308,-0.0012404092220237308,E0,hcp,-0.3782366277000001,9.243e-07,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,-0.37824131944020795,7.36749540478661e-07,20.0,1.0,-0.0018353733056558719,-0.0018353733056558719,E0,hcp,-0.3782343773,8.453e-07,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,-0.37824131944020795,7.36749540478661e-07,18.0,1.0,-0.0013773059526256955,-0.0013773059526256955,E0,hcp,-0.3782361099,7.022e-07,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,7.69298352254751,0.00775131326962496,16.0,1.0,0.09626354236669041,0.09626354236669041,dB,hcp,7.700389061,0.0497179713,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,7.69298352254751,0.00775131326962496,22.0,1.0,0.09323329149825642,0.09323329149825642,dB,hcp,7.7001559443,0.03714766,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,7.69298352254751,0.00775131326962496,26.0,1.0,0.14646389556751302,0.14646389556751302,dB,hcp,7.7042509659,0.032428061200000004,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,7.69298352254751,0.00775131326962496,24.0,1.0,0.04557706301116742,-0.04557706301116742,dB,hcp,7.6894772866,0.0443184598,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,7.69298352254751,0.00775131326962496,20.0,1.0,0.07026057233383726,0.07026057233383726,dB,hcp,7.6983886568,0.0435853142,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,7.69298352254751,0.00775131326962496,20.0,1.0,0.2582993372369737,0.2582993372369737,dB,hcp,7.712854448,0.0405485104,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,7.69298352254751,0.00775131326962496,18.0,1.0,0.6822866056927261,0.6822866056927261,dB,hcp,7.7454717187,0.0332158428,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,7.69298352254751,0.00775131326962496,16.0,1.0,0.09626354236669041,0.09626354236669041,dB,hcp,7.700389061,0.0497179713,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,7.69298352254751,0.00775131326962496,22.0,1.0,0.09323329149825642,0.09323329149825642,dB,hcp,7.7001559443,0.03714766,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,7.69298352254751,0.00775131326962496,26.0,1.0,0.14646389556751302,0.14646389556751302,dB,hcp,7.7042509659,0.032428061200000004,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,7.69298352254751,0.00775131326962496,24.0,1.0,0.04557706301116742,-0.04557706301116742,dB,hcp,7.6894772866,0.0443184598,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,7.69298352254751,0.00775131326962496,20.0,1.0,0.07026057233383726,0.07026057233383726,dB,hcp,7.6983886568,0.0435853142,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,7.69298352254751,0.00775131326962496,20.0,1.0,0.2582993372369737,0.2582993372369737,dB,hcp,7.712854448,0.0405485104,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,7.69298352254751,0.00775131326962496,18.0,1.0,0.6822866056927261,0.6822866056927261,dB,hcp,7.7454717187,0.0332158428,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,63.3402109976334,0.0006671162487011928,16.0,1.0,0.0039476042583702735,0.0039476042583702735,v0,hcp,63.3427114185,0.0009168621,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,63.3402109976334,0.0006671162487011928,22.0,1.0,0.00042943252369107937,0.00042943252369107937,v0,hcp,63.3404830011,0.0006826188999999999,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,63.3402109976334,0.0006671162487011928,26.0,1.0,0.0010598470115984018,-0.0010598470115984018,v0,hcp,63.3395396883,0.0005982116000000001,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,63.3402109976334,0.0006671162487011928,24.0,1.0,0.0028473494246233433,-0.0028473494246233433,v0,hcp,63.3384074805,0.0008157219,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,63.3402109976334,0.0006671162487011928,20.0,1.0,0.0028925619358450582,-0.0028925619358450582,v0,hcp,63.3383788428,0.0007990925999999999,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,63.3402109976334,0.0006671162487011928,20.0,1.0,0.005727571595128796,-0.005727571595128796,v0,hcp,63.336583141700004,0.0007565526000000001,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,63.3402109976334,0.0006671162487011928,18.0,1.0,0.003319277596773222,-0.003319277596773222,v0,hcp,63.338108560200006,0.0006112986,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37211523, -0.37415434000000003, -0.37574084, -0.37691051000000003, -0.37768847, -0.37812185, -0.37823252, -0.37804686, -0.37759719, -0.37689216000000003, -0.37596137]",PBE,63.3402109976334,0.0006671162487011928,16.0,1.0,0.0039476042583702735,0.0039476042583702735,v0,hcp,63.3427114185,0.0009168621,"[59.6608428254, 60.2888516973, 60.9168605691, 61.544869441, 62.1728783128, 62.8008871847, 63.4288960565, 64.0569049284, 64.6849138002, 65.3129226721, 65.9409315439]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.3720764, -0.37412439999999997, -0.37571774, -0.37689452, -0.37767989, -0.37812008, -0.37823637, -0.3780589, -0.37760859, -0.37691249, -0.37598642]",PBE,63.3402109976334,0.0006671162487011928,22.0,1.0,0.00042943252369107937,0.00042943252369107937,v0,hcp,63.3404830011,0.0006826188999999999,"[59.6470862157, 60.2749502811, 60.9028143466, 61.530678412, 62.1585424774, 62.7864065428, 63.4142706083, 64.0421346737, 64.6699987391, 65.2978628046, 65.92572687]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37212539, -0.3741632, -0.37574799000000003, -0.37691567, -0.377695, -0.37812604, -0.37823646, -0.3780519, -0.37759713, -0.37689489, -0.37596406]",PBE,63.3402109976334,0.0006671162487011928,26.0,1.0,0.0010598470115984018,-0.0010598470115984018,v0,hcp,63.3395396883,0.0005982116000000001,"[59.6591837425, 60.2871751503, 60.9151665582, 61.543157966, 62.1711493738, 62.7991407816, 63.4271321894, 64.0551235972, 64.6831150051, 65.3111064129, 65.9390978207]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37209751, -0.37413881, -0.37572956, -0.37690225, -0.37768486, -0.37812141, -0.37823452, -0.37805446, -0.37760173, -0.37690322, -0.37597518]",PBE,63.3402109976334,0.0006671162487011928,24.0,1.0,0.0028473494246233433,-0.0028473494246233433,v0,hcp,63.3384074805,0.0008157219,"[59.6506144438, 60.2785156484, 60.9064168531, 61.5343180578, 62.1622192624, 62.7901204671, 63.4180216718, 64.0459228765, 64.6738240811, 65.3017252858, 65.9296264905]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Hg,"[-0.37204992000000003, -0.37410065000000003, -0.37570056, -0.37688054, -0.37767112, -0.37811528, -0.37823502000000003, -0.37806048000000003, -0.37761368, -0.37692115, -0.37599877]",PBE,63.3402109976334,0.0006671162487011928,20.0,1.0,0.0028925619358450582,-0.0028925619358450582,v0,hcp,63.3383788428,0.0007990925999999999,"[59.6377230973, 60.2654886036, 60.8932541099, 61.5210196162, 62.1487851224, 62.7765506287, 63.404316135, 64.0320816413, 64.6598471476, 65.2876126539, 65.9153781602]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37226057, -0.37426899, -0.37582939, -0.37697162, -0.37772741, -0.37813816, -0.37822817000000003, -0.37802534, -0.37755202, -0.37683442, -0.3758883]",PBE,63.3402109976334,0.0006671162487011928,20.0,1.0,0.005727571595128796,-0.005727571595128796,v0,hcp,63.336583141700004,0.0007565526000000001,"[59.6951928663, 60.3235633175, 60.9519337687, 61.5803042199, 62.2086746711, 62.8370451224, 63.4654155736, 64.0937860248, 64.722156476, 65.3505269273, 65.9788973785]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Hg,"[-0.37208909, -0.37413603, -0.37572754, -0.37689983, -0.37768301, -0.37811808, -0.37823507, -0.3780533, -0.37760165, -0.37690341, -0.37597586]",PBE,63.3402109976334,0.0006671162487011928,18.0,1.0,0.003319277596773222,-0.003319277596773222,v0,hcp,63.338108560200006,0.0006112986,"[59.6502287208, 60.2781258653, 60.9060230097, 61.5339201541, 62.1618172986, 62.789714443, 63.4176115874, 64.0455087319, 64.6734058763, 65.3013030207, 65.9292001651]" +0,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ir,"[-9.0266305, -9.04306783, -9.0554226, -9.06388796, -9.06869188, -9.07010365, -9.06833539, -9.06347216, -9.05581827, -9.04543816, -9.03258171]",PBE,348.905956340527,0.00620599129263109,4.0,1.0,3.0111535668423106,3.0111535668423106,B,FindHistory,359.41205048980004,0.1246969929,"[13.6516934442, 13.7953954804, 13.9390975167, 14.082799553, 14.2265015892, 14.3702036255, 14.5139056617, 14.657607698, 14.8013097342, 14.9450117705, 15.0887138067]" +1,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ir,"[-8.80443282, -8.82088922, -8.8332964, -8.84189239, -8.84690338, -8.848546259999999, -8.84701982, -8.84251268, -8.83520791, -8.82526699, -8.81285929]",PBE,348.905956340527,0.00620599129263109,66.0,1.0,0.0008043749256799698,-0.0008043749256799698,B,FindHistory,348.9031498285,0.06310261610000001,"[13.7920871048, 13.9372669691, 14.0824468333, 14.2276266976, 14.3728065619, 14.5179864261, 14.6631662904, 14.8083461546, 14.9535260189, 15.0987058832, 15.2438857474]" +2,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ir,"[-8.80393777, -8.82040502, -8.83282756, -8.84143299, -8.84645806, -8.8481121, -8.84659679, -8.84210039, -8.83480571, -8.824875070000001, -8.81247712]",PBE,348.905956340527,0.00620599129263109,24.0,1.0,0.006563526563743512,-0.006563526563743512,B,FindHistory,348.8830558054001,0.0656717112,"[13.7919626464, 13.9371412006, 14.0823197547, 14.2274983089, 14.3726768631, 14.5178554172, 14.6630339714, 14.8082125256, 14.9533910798, 15.0985696339, 15.2437481881]" +3,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ir,"[-8.80446085, -8.82093271, -8.83335647, -8.84196362, -8.84698611, -8.84864034, -8.84712551, -8.84262753, -8.83533011, -8.82540143, -8.81299877]",PBE,348.905956340527,0.00620599129263109,42.0,1.0,0.011398666273895039,0.011398666273895039,B,FindHistory,348.9457269661,0.0597350919,"[13.7914799794, 13.9366534529, 14.0818269264, 14.2270003998, 14.3721738733, 14.5173473468, 14.6625208202, 14.8076942937, 14.9528677672, 15.0980412406, 15.2432147141]" +4,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ir,"[-8.80049197, -8.81702375, -8.82949459, -8.83816127, -8.84323481, -8.84493565, -8.84346704, -8.83901801, -8.83176241, -8.82187787, -8.80951778]",PBE,348.905956340527,0.00620599129263109,14.0,1.0,0.005846984582043093,0.005846984582043093,B,FindHistory,348.92635681800004,0.06397393850000001,"[13.7885078482, 13.9336500361, 14.078792224, 14.2239344119, 14.3690765997, 14.5142187876, 14.6593609755, 14.8045031634, 14.949645351200001, 15.0947875391, 15.239929727]" +5,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ir,"[-8.80414, -8.82062138, -8.8330582, -8.84168168, -8.84672332, -8.84839142, -8.84688906, -8.84240513, -8.83512513, -8.8252105, -8.81282233]",PBE,348.905956340527,0.00620599129263109,18.0,1.0,0.013073619179639433,-0.013073619179639433,B,FindHistory,348.86034170449994,0.0707068206,"[13.7912745946, 13.9364459061, 14.0816172177, 14.2267885292, 14.3719598407, 14.5171311522, 14.6623024638, 14.8074737753, 14.9526450868, 15.0978163983, 15.2429877098]" +6,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ir,"[-8.81065701, -8.82719456, -8.83967571, -8.84833006, -8.85339983, -8.85509236, -8.85360495, -8.84913329, -8.84186035, -8.8319511, -8.81955104]",PBE,348.905956340527,0.00620599129263109,10.0,1.0,0.17505648730653509,0.17505648730653509,B,FindHistory,349.5167388517,0.053579080700000004,"[13.7868969412, 13.9320221721, 14.0771474031, 14.222272634, 14.367397865000001, 14.512523096, 14.6576483269, 14.8027735579, 14.9478987888, 15.0930240198, 15.2381492508]" +7,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ir,"[-8.8054091, -8.82192176, -8.83438959, -8.84303842, -8.848094679999999, -8.84978192, -8.84828887, -8.84382368, -8.83655303, -8.82664835, -8.81426837]",PBE,348.905956340527,0.00620599129263109,12.0,1.0,0.07160079449295675,0.07160079449295675,B,FindHistory,349.15577577730005,0.0685717262,"[13.7866533713, 13.9317760383, 14.0768987054, 14.2220213725, 14.3671440395, 14.5122667066, 14.6573893737, 14.8025120407, 14.9476347078, 15.0927573749, 15.2378800419]" +8,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ir,"[-8.80440523, -8.82087741, -8.83329582, -8.8419059, -8.84692828, -8.84858155, -8.8470662, -8.84256865, -8.83527387, -8.82534569, -8.81294566]",PBE,348.905956340527,0.00620599129263109,34.0,1.0,0.0013866862514375989,-0.0013866862514375989,B,FindHistory,348.90111810959996,0.0613206519,"[13.791529665, 13.9367036615, 14.081877658, 14.2270516545, 14.3722256509, 14.5173996474, 14.6625736439, 14.8077476403, 14.9529216368, 15.0980956333, 15.2432696298]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ir,"[-8.80445716, -8.82091379, -8.833320669999999, -8.84191676, -8.84692968, -8.84856972, -8.84704, -8.84253481, -8.83522818, -8.82528939, -8.81287934]",PBE,348.905956340527,0.00620599129263109,70.0,1.0,0.0016384198289301015,0.0016384198289301015,B,FindHistory,348.9116728849,0.0635552404,"[13.7920803448, 13.937260137900001, 14.082439931, 14.2276197241, 14.3727995172, 14.5179793103, 14.6631591035, 14.8083388966, 14.953518689700001, 15.0986984828, 15.2438782759]" +10,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ir,"[-8.80446865, -8.82092537, -8.83333216, -8.84192852, -8.84693762, -8.84858075, -8.84705009, -8.842545340000001, -8.835239810000001, -8.82530174, -8.81289113]",PBE,348.905956340527,0.00620599129263109,62.0,1.0,0.002909122112289072,-0.002909122112289072,B,FindHistory,348.8958062402,0.05927865070000001,"[13.7920417151, 13.9372211016, 14.0824004881, 14.2275798746, 14.372759261, 14.5179386475, 14.663118034, 14.8082974205, 14.9534768069, 15.0986561934, 15.2438355799]" +11,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ir,"[-8.80444086, -8.82089854, -8.83330641, -8.841902900000001, -8.84691675, -8.84855739, -8.84703156, -8.84252318, -8.83521862, -8.82528081, -8.81286926]",PBE,348.905956340527,0.00620599129263109,64.0,1.0,0.004307989588555068,0.004307989588555068,B,FindHistory,348.9209871728,0.0621607417,"[13.7920669948, 13.9372466473, 14.0824262999, 14.2276059525, 14.3727856051, 14.5179652576, 14.6631449102, 14.8083245628, 14.9535042154, 15.0986838679, 15.2438635205]" +12,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ir,"[-8.804433509999999, -8.82090619, -8.83332589, -8.841936369999999, -8.84696224, -8.84861684, -8.84709708, -8.84260138, -8.83530071, -8.825372980000001, -8.8129715]",PBE,348.905956340527,0.00620599129263109,32.0,1.0,0.015332211847021111,0.015332211847021111,B,FindHistory,348.9594513409,0.0707771209,"[13.7915945498, 13.9367692293, 14.0819439087, 14.2271185882, 14.3722932677, 14.5174679472, 14.6626426266, 14.8078173061, 14.9529919856, 15.098166665, 15.2433413445]" +13,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ir,"[-8.80570008, -8.82218848, -8.83462655, -8.84324726, -8.84828686, -8.84994753, -8.84844083, -8.84395411, -8.83666522, -8.82674103, -8.81434714]",PBE,348.905956340527,0.00620599129263109,20.0,1.0,0.045680777922129795,0.045680777922129795,B,FindHistory,349.0653392956,0.0639102973,"[13.7893461974, 13.93449721, 14.0796482226, 14.2247992352, 14.3699502478, 14.5151012604, 14.660252273, 14.8054032856, 14.9505542982, 15.0957053108, 15.2408563234]" +14,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ir,"[-8.80447268, -8.82092961, -8.83333696, -8.84193276, -8.84694666, -8.84858598, -8.84705689, -8.84255232, -8.83524338, -8.82530941, -8.81289889]",PBE,348.905956340527,0.00620599129263109,68.0,1.0,0.002228388964326303,-0.002228388964326303,B,FindHistory,348.8981813587,0.0654390574,"[13.7920616631, 13.9372412596, 14.082420856, 14.2276004525, 14.3727800489, 14.5179596454, 14.6631392418, 14.8083188383, 14.9534984347, 15.0986780312, 15.2438576277]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ir,"[-8.80439821, -8.82086763, -8.83328875, -8.84189523, -8.84692055, -8.84857455, -8.84705652, -8.84256232, -8.835264, -8.82533981, -8.81293927]",PBE,348.905956340527,0.00620599129263109,54.0,1.0,0.005964528191283821,-0.005964528191283821,B,FindHistory,348.8851457464,0.0653056092,"[13.7916240983, 13.9367990888, 14.0819740794, 14.2271490699, 14.3723240604, 14.5174990509, 14.6626740414, 14.8078490319, 14.9530240224, 15.0981990129, 15.2433740034]" +16,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ir,"[-8.8042245, -8.82069152, -8.83310986, -8.84171579, -8.84674112, -8.84839357, -8.84687534, -8.84238172, -8.83508099, -8.82514757, -8.81274068]",PBE,348.905956340527,0.00620599129263109,30.0,1.0,0.014567738454818388,0.014567738454818388,B,FindHistory,348.95678404769995,0.0594980998,"[13.7917792642, 13.936955888, 14.0821325119, 14.2273091357, 14.3724857595, 14.5176623834, 14.6628390072, 14.8080156311, 14.9531922549, 15.0983688787, 15.2435455026]" +17,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ir,"[-8.80426798, -8.82073766, -8.83315733, -8.84176525, -8.84678752, -8.84843941, -8.84692483, -8.84242717, -8.83513604, -8.82520737, -8.81280748]",PBE,348.905956340527,0.00620599129263109,44.0,1.0,0.011499134880841588,-0.011499134880841588,B,FindHistory,348.8658351740001,0.0578317465,"[13.7916011286, 13.9367758774, 14.0819506261, 14.2271253748, 14.3723001235, 14.5174748722, 14.662649621, 14.8078243697, 14.9529991184, 15.0981738671, 15.2433486159]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ir,"[-8.80444775, -8.82091858, -8.83334124, -8.84194814, -8.84697333, -8.84862752, -8.84710849, -8.84261294, -8.83531385, -8.82538441, -8.81298324]",PBE,348.905956340527,0.00620599129263109,48.0,1.0,0.011567745130057691,0.011567745130057691,B,FindHistory,348.94631689230005,0.0659928989,"[13.7916049683, 13.9367797574, 14.0819545466, 14.2271293357, 14.3723041249, 14.517478914, 14.6626537031, 14.8078284923, 14.953003281400001, 15.0981780706, 15.2433528597]" +19,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ir,"[-8.80439336, -8.82086378, -8.83328566, -8.84189268, -8.84691793, -8.84857185, -8.847053559999999, -8.8425596, -8.83526131, -8.82533756, -8.81293674]",PBE,348.905956340527,0.00620599129263109,46.0,1.0,0.0041183948470650674,-0.0041183948470650674,B,FindHistory,348.89158701559995,0.06465947600000001,"[13.7916243245, 13.9367993174, 14.0819743102, 14.2271493031, 14.372324296, 14.5174992889, 14.6626742818, 14.8078492747, 14.9530242676, 15.0981992605, 15.2433742534]" +20,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ir,"[-8.80434943, -8.82082146, -8.83324324, -8.841852620000001, -8.8468777, -8.8485316, -8.84701431, -8.84252171, -8.83522549, -8.82530086, -8.81290265]",PBE,348.905956340527,0.00620599129263109,36.0,1.0,0.006626283073381651,-0.006626283073381651,B,FindHistory,348.88283684419997,0.0633861443,"[13.7915362996, 13.9367103659, 14.0818844322, 14.2270584986, 14.3722325649, 14.5174066312, 14.6625806975, 14.8077547638, 14.9529288301, 15.0981028964, 15.2432769627]" +21,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ir,"[-8.80110762, -8.81761341, -8.83006168, -8.83870343, -8.84375886, -8.8454448, -8.84395736, -8.83949568, -8.83222326, -8.82232486, -8.80995012]",PBE,348.905956340527,0.00620599129263109,16.0,1.0,0.03757553310412427,-0.03757553310412427,B,FindHistory,348.7748530674,0.061206884,"[13.7929048482, 13.9380933203, 14.0832817924, 14.2284702645, 14.3736587366, 14.5188472086, 14.6640356807, 14.8092241528, 14.9544126249, 15.099601097, 15.2447895691]" +22,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ir,"[-8.80322301, -8.8196896, -8.83210815, -8.84071598, -8.84573576, -8.84738729, -8.84587474, -8.84137617, -8.83408408, -8.82415613, -8.81175922]",PBE,348.905956340527,0.00620599129263109,22.0,1.0,0.02251739226554191,-0.02251739226554191,B,FindHistory,348.82739181769995,0.0620335755,"[13.7917074467, 13.9368833146, 14.0820591824, 14.2272350503, 14.3724109181, 14.517586786, 14.6627626539, 14.8079385217, 14.9531143896, 15.0982902574, 15.2434661253]" +23,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ir,"[-8.80443785, -8.82090801, -8.83332511, -8.84193428, -8.84695961, -8.84861148, -8.847095490000001, -8.84260158, -8.83530317, -8.82537599, -8.81297481]",PBE,348.905956340527,0.00620599129263109,40.0,1.0,0.0017930016995332048,-0.0017930016995332048,B,FindHistory,348.8997004508,0.0631812491,"[13.7915234124, 13.9366973431, 14.0818712738, 14.2270452044, 14.3722191351, 14.5173930657, 14.6625669964, 14.8077409271, 14.9529148577, 15.0980887884, 15.243262719]" +24,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ir,"[-8.80433723, -8.82080461, -8.83322325, -8.84182993, -8.84685456, -8.84850585, -8.84698987, -8.84249453, -8.83519991, -8.82526798, -8.81286626]",PBE,348.905956340527,0.00620599129263109,38.0,1.0,0.004299132231602512,-0.004299132231602512,B,FindHistory,348.89095641209997,0.0595213221,"[13.7918742401, 13.9370518637, 14.0822294873, 14.2274071109, 14.3725847344, 14.517762358, 14.6629399816, 14.8081176052, 14.9532952288, 15.0984728523, 15.2436504759]" +25,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ir,"[-8.80463643, -8.8211049, -8.83352238, -8.84212954, -8.847153370000001, -8.84880638, -8.84729018, -8.84279301, -8.83549714, -8.82556513, -8.81316474]",PBE,348.905956340527,0.00620599129263109,26.0,1.0,0.00035609857167147866,-0.00035609857167147866,B,FindHistory,348.9047138914,0.063284317,"[13.791685341099999, 13.9368609763, 14.0820366114, 14.2272122466, 14.3723878818, 14.517563517, 14.6627391521, 14.8079147873, 14.9530904225, 15.0982660576, 15.2434416928]" +26,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ir,"[-8.80447132, -8.82094343, -8.83336411, -8.84197332, -8.84699916, -8.84865349, -8.84713402, -8.84263671, -8.83533388, -8.82539804, -8.81299274]",PBE,348.905956340527,0.00620599129263109,28.0,1.0,0.040287803323086895,0.040287803323086895,B,FindHistory,349.046522886,0.06842927780000001,"[13.7914835609, 13.936657072, 14.0818305832, 14.2270040944, 14.3721776055, 14.5173511167, 14.6625246279, 14.807698139, 14.9528716502, 15.0980451614, 15.2432186725]" +27,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ir,"[-8.80444664, -8.82090406, -8.83331064, -8.84190893, -8.84691968, -8.8485637, -8.84703663, -8.84253251, -8.83522389, -8.8252876, -8.81287736]",PBE,348.905956340527,0.00620599129263109,60.0,1.0,0.0009085449862332504,0.0009085449862332504,B,FindHistory,348.9091263081,0.0627513596,"[13.7920589319, 13.9372384996, 14.0824180673, 14.227597635, 14.3727772027, 14.5179567704, 14.6631363381, 14.8083159058, 14.9534954735, 15.0986750412, 15.2438546089]" +28,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ir,"[-8.74280532, -8.75916076, -8.77150234, -8.78003428, -8.78498508, -8.78657881, -8.78501167, -8.78045728, -8.77310222, -8.76313826, -8.75067316]",PBE,348.905956340527,0.00620599129263109,6.0,1.0,0.2822172323323566,-0.2822172323323566,B,FindHistory,347.9212836071,0.0831362029,"[13.8229208065, 13.968425236, 14.1139296656, 14.2594340951, 14.4049385247, 14.5504429542, 14.6959473837, 14.8414518133, 14.9869562428, 15.1324606724, 15.2779651019]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ir,"[-8.80445056, -8.82090873, -8.83331713, -8.84191258, -8.84692664, -8.84856977, -8.84704325, -8.84253547, -8.83522951, -8.825289380000001, -8.8128783]",PBE,348.905956340527,0.00620599129263109,56.0,1.0,0.01099975112937134,0.01099975112937134,B,FindHistory,348.9443351274,0.0626336658,"[13.7920140093, 13.9371931042, 14.082372199, 14.2275512938, 14.3727303887, 14.5179094835, 14.6630885783, 14.8082676732, 14.953446768, 15.0986258628, 15.2438049577]" +30,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ir,"[-8.7623965, -8.77897859, -8.79149866, -8.80020703, -8.80533479, -8.8070853, -8.80566492, -8.80126473, -8.79406265, -8.78422672, -8.77191427]",PBE,348.905956340527,0.00620599129263109,8.0,1.0,0.2534555770563814,-0.2534555770563814,B,FindHistory,348.0216347355,0.0557081426,"[13.8122781859, 13.957670587900001, 14.1030629898, 14.2484553918, 14.393847793700001, 14.5392401957, 14.6846325977, 14.830024999599999, 14.9754174016, 15.1208098035, 15.2662022055]" +31,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ir,"[-8.80437775, -8.820848250000001, -8.83327056, -8.84187787, -8.84690325, -8.84855739, -8.847039, -8.84254404, -8.83524533, -8.82531597, -8.81291499]",PBE,348.905956340527,0.00620599129263109,52.0,1.0,0.009651760671039745,0.009651760671039745,B,FindHistory,348.9396319084,0.0654993368,"[13.7915876175, 13.936762224, 14.0819368305, 14.227111437, 14.3722860435, 14.51746065, 14.6626352565, 14.807809863, 14.9529844695, 15.098159076, 15.2433336825]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ir,"[-8.80444225, -8.82090039, -8.8333083, -8.84190596, -8.84691692, -8.84856173, -8.84703317, -8.8425302, -8.83522695, -8.82529035, -8.81288131]",PBE,348.905956340527,0.00620599129263109,58.0,1.0,0.007722386802890128,-0.007722386802890128,B,FindHistory,348.87901247300005,0.0580368215,"[13.7920416586, 13.9372210444, 14.0824004303, 14.2275798162, 14.3727592021, 14.517938588, 14.6631179738, 14.8082973597, 14.9534767456, 15.0986561315, 15.2438355174]" +33,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ir,"[-8.80443108, -8.82088868, -8.83329321, -8.84189343, -8.84690395, -8.84854804, -8.84701946, -8.84251561, -8.83520931, -8.82527207, -8.812863010000001]",PBE,348.905956340527,0.00620599129263109,50.0,1.0,0.002312143711047809,-0.002312143711047809,B,FindHistory,348.8978891334,0.0641189462,"[13.7920053913, 13.9371843955, 14.0823633996, 14.2275424037, 14.3727214078, 14.5179004119, 14.6630794161, 14.8082584202, 14.9534374243, 15.0986164284, 15.2437954325]" +0,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ir,"[-9.0266305, -9.04306783, -9.0554226, -9.06388796, -9.06869188, -9.07010365, -9.06833539, -9.06347216, -9.05581827, -9.04543816, -9.03258171]",PBE,-8.848571066793243,6.7500478733722e-06,4.0,1.0,-2.5038026663783977,2.5038026663783977,E0,FindHistory,-9.0701218251,7.415700000000002e-06,"[13.6516934442, 13.7953954804, 13.9390975167, 14.082799553, 14.2265015892, 14.3702036255, 14.5139056617, 14.657607698, 14.8013097342, 14.9450117705, 15.0887138067]" +1,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ir,"[-8.80443282, -8.82088922, -8.8332964, -8.84189239, -8.84690338, -8.848546259999999, -8.84701982, -8.84251268, -8.83520791, -8.82526699, -8.81285929]",PBE,-8.848571066793243,6.7500478733722e-06,66.0,1.0,-0.0003630867967590507,-0.0003630867967590507,E0,FindHistory,-8.848538938799997,3.7479e-06,"[13.7920871048, 13.9372669691, 14.0824468333, 14.2276266976, 14.3728065619, 14.5179864261, 14.6631662904, 14.8083461546, 14.9535260189, 15.0987058832, 15.2438857474]" +2,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ir,"[-8.80393777, -8.82040502, -8.83282756, -8.84143299, -8.84645806, -8.8481121, -8.84659679, -8.84210039, -8.83480571, -8.824875070000001, -8.81247712]",PBE,-8.848571066793243,6.7500478733722e-06,24.0,1.0,-0.005270867914405597,-0.005270867914405597,E0,FindHistory,-8.8481046703,3.8977999999999985e-06,"[13.7919626464, 13.9371412006, 14.0823197547, 14.2274983089, 14.3726768631, 14.5178554172, 14.6630339714, 14.8082125256, 14.9533910798, 15.0985696339, 15.2437481881]" +3,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ir,"[-8.80446085, -8.82093271, -8.83335647, -8.84196362, -8.84698611, -8.84864034, -8.84712551, -8.84262753, -8.83533011, -8.82540143, -8.81299877]",PBE,-8.848571066793243,6.7500478733722e-06,42.0,1.0,-0.0007079584520956898,0.0007079584520956898,E0,FindHistory,-8.848633711,3.5455e-06,"[13.7914799794, 13.9366534529, 14.0818269264, 14.2270003998, 14.3721738733, 14.5173473468, 14.6625208202, 14.8076942937, 14.9528677672, 15.0980412406, 15.2432147141]" +4,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ir,"[-8.81065701, -8.82719456, -8.83967571, -8.84833006, -8.85339983, -8.85509236, -8.85360495, -8.84913329, -8.84186035, -8.8319511, -8.81955104]",PBE,-8.848571066793243,6.7500478733722e-06,10.0,1.0,-0.07361070909178948,0.07361070909178948,E0,FindHistory,-8.8550845627,3.1725e-06,"[13.7868969412, 13.9320221721, 14.0771474031, 14.222272634, 14.367397865000001, 14.512523096, 14.6576483269, 14.8027735579, 14.9478987888, 15.0930240198, 15.2381492508]" +5,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ir,"[-8.80049197, -8.81702375, -8.82949459, -8.83816127, -8.84323481, -8.84493565, -8.84346704, -8.83901801, -8.83176241, -8.82187787, -8.80951778]",PBE,-8.848571066793243,6.7500478733722e-06,14.0,1.0,-0.04114549191909707,-0.04114549191909707,E0,FindHistory,-8.8449302787,3.7852e-06,"[13.7885078482, 13.9336500361, 14.078792224, 14.2239344119, 14.3690765997, 14.5142187876, 14.6593609755, 14.8045031634, 14.949645351200001, 15.0947875391, 15.239929727]" +6,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ir,"[-8.80414, -8.82062138, -8.8330582, -8.84168168, -8.84672332, -8.84839142, -8.84688906, -8.84240513, -8.83512513, -8.8252105, -8.81282233]",PBE,-8.848571066793243,6.7500478733722e-06,18.0,1.0,-0.00212436778577039,-0.00212436778577039,E0,FindHistory,-8.848383090599999,4.1929e-06,"[13.7912745946, 13.9364459061, 14.0816172177, 14.2267885292, 14.3719598407, 14.5171311522, 14.6623024638, 14.8074737753, 14.9526450868, 15.0978163983, 15.2429877098]" +7,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ir,"[-8.8054091, -8.82192176, -8.83438959, -8.84303842, -8.848094679999999, -8.84978192, -8.84828887, -8.84382368, -8.83655303, -8.82664835, -8.81426837]",PBE,-8.848571066793243,6.7500478733722e-06,12.0,1.0,-0.01358572584978201,0.01358572584978201,E0,FindHistory,-8.8497732094,4.0609e-06,"[13.7866533713, 13.9317760383, 14.0768987054, 14.2220213725, 14.3671440395, 14.5122667066, 14.6573893737, 14.8025120407, 14.9476347078, 15.0927573749, 15.2378800419]" +8,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ir,"[-8.80440523, -8.82087741, -8.83329582, -8.8419059, -8.84692828, -8.84858155, -8.8470662, -8.84256865, -8.83527387, -8.82534569, -8.81294566]",PBE,-8.848571066793243,6.7500478733722e-06,34.0,1.0,-4.0113897837923346e-05,4.0113897837923346e-05,E0,FindHistory,-8.8485746163,3.6395e-06,"[13.791529665, 13.9367036615, 14.081877658, 14.2270516545, 14.3722256509, 14.5173996474, 14.6625736439, 14.8077476403, 14.9529216368, 15.0980956333, 15.2432696298]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ir,"[-8.80445716, -8.82091379, -8.833320669999999, -8.84191676, -8.84692968, -8.84856972, -8.84704, -8.84253481, -8.83522818, -8.82528939, -8.81287934]",PBE,-8.848571066793243,6.7500478733722e-06,70.0,1.0,-0.00010068171657805088,-0.00010068171657805088,E0,FindHistory,-8.8485621579,3.7749e-06,"[13.7920803448, 13.937260137900001, 14.082439931, 14.2276197241, 14.3727995172, 14.5179793103, 14.6631591035, 14.8083388966, 14.953518689700001, 15.0986984828, 15.2438782759]" +10,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ir,"[-8.80446865, -8.82092537, -8.83333216, -8.84192852, -8.84693762, -8.84858075, -8.84705009, -8.842545340000001, -8.835239810000001, -8.82530174, -8.81289113]",PBE,-8.848571066793243,6.7500478733722e-06,62.0,1.0,-1.591111997248864e-05,1.591111997248864e-05,E0,FindHistory,-8.848572474700001,3.5208e-06,"[13.7920417151, 13.9372211016, 14.0824004881, 14.2275798746, 14.372759261, 14.5179386475, 14.663118034, 14.8082974205, 14.9534768069, 15.0986561934, 15.2438355799]" +11,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ir,"[-8.80444086, -8.82089854, -8.83330641, -8.841902900000001, -8.84691675, -8.84855739, -8.84703156, -8.84252318, -8.83521862, -8.82528081, -8.81286926]",PBE,-8.848571066793243,6.7500478733722e-06,64.0,1.0,-0.00023099767282840607,-0.00023099767282840607,E0,FindHistory,-8.8485506268,3.6918e-06,"[13.7920669948, 13.9372466473, 14.0824262999, 14.2276059525, 14.3727856051, 14.5179652576, 14.6631449102, 14.8083245628, 14.9535042154, 15.0986838679, 15.2438635205]" +12,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ir,"[-8.804433509999999, -8.82090619, -8.83332589, -8.841936369999999, -8.84696224, -8.84861684, -8.84709708, -8.84260138, -8.83530071, -8.825372980000001, -8.8129715]",PBE,-8.848571066793243,6.7500478733722e-06,32.0,1.0,-0.0004093181428267629,0.0004093181428267629,E0,FindHistory,-8.8486072856,4.2009e-06,"[13.7915945498, 13.9367692293, 14.0819439087, 14.2271185882, 14.3722932677, 14.5174679472, 14.6626426266, 14.8078173061, 14.9529919856, 15.098166665, 15.2433413445]" +13,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ir,"[-8.80570008, -8.82218848, -8.83462655, -8.84324726, -8.84828686, -8.84994753, -8.84844083, -8.84395411, -8.83666522, -8.82674103, -8.81434714]",PBE,-8.848571066793243,6.7500478733722e-06,20.0,1.0,-0.015488211558825876,0.015488211558825876,E0,FindHistory,-8.8499415522,3.7904e-06,"[13.7893461974, 13.93449721, 14.0796482226, 14.2247992352, 14.3699502478, 14.5151012604, 14.660252273, 14.8054032856, 14.9505542982, 15.0957053108, 15.2408563234]" +14,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ir,"[-8.80447268, -8.82092961, -8.83333696, -8.84193276, -8.84694666, -8.84858598, -8.84705689, -8.84255232, -8.83524338, -8.82530941, -8.81289889]",PBE,-8.848571066793243,6.7500478733722e-06,68.0,1.0,-8.459791643392796e-05,8.459791643392796e-05,E0,FindHistory,-8.8485785525,3.8866e-06,"[13.7920616631, 13.9372412596, 14.082420856, 14.2276004525, 14.3727800489, 14.5179596454, 14.6631392418, 14.8083188383, 14.9534984347, 15.0986780312, 15.2438576277]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ir,"[-8.80439821, -8.82086763, -8.83328875, -8.84189523, -8.84692055, -8.84857455, -8.84705652, -8.84256232, -8.835264, -8.82533981, -8.81293927]",PBE,-8.848571066793243,6.7500478733722e-06,54.0,1.0,-5.6212389600855595e-05,-5.6212389600855595e-05,E0,FindHistory,-8.8485660928,3.876e-06,"[13.7916240983, 13.9367990888, 14.0819740794, 14.2271490699, 14.3723240604, 14.5174990509, 14.6626740414, 14.8078490319, 14.9530240224, 15.0981990129, 15.2433740034]" +16,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ir,"[-8.8042245, -8.82069152, -8.83310986, -8.84171579, -8.84674112, -8.84839357, -8.84687534, -8.84238172, -8.83508099, -8.82514757, -8.81274068]",PBE,-8.848571066793243,6.7500478733722e-06,30.0,1.0,-0.0020840505416258627,-0.0020840505416258627,E0,FindHistory,-8.848386658099999,3.5317e-06,"[13.7917792642, 13.936955888, 14.0821325119, 14.2273091357, 14.3724857595, 14.5176623834, 14.6628390072, 14.8080156311, 14.9531922549, 15.0983688787, 15.2435455026]" +17,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ir,"[-8.80426798, -8.82073766, -8.83315733, -8.84176525, -8.84678752, -8.84843941, -8.84692483, -8.84242717, -8.83513604, -8.82520737, -8.81280748]",PBE,-8.848571066793243,6.7500478733722e-06,44.0,1.0,-0.001555238605238393,-0.001555238605238393,E0,FindHistory,-8.8484334504,3.4324e-06,"[13.7916011286, 13.9367758774, 14.0819506261, 14.2271253748, 14.3723001235, 14.5174748722, 14.662649621, 14.8078243697, 14.9529991184, 15.0981738671, 15.2433486159]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ir,"[-8.80444775, -8.82091858, -8.83334124, -8.84194814, -8.84697333, -8.84862752, -8.84710849, -8.84261294, -8.83531385, -8.82538441, -8.81298324]",PBE,-8.848571066793243,6.7500478733722e-06,48.0,1.0,-0.0005405924459025076,0.0005405924459025076,E0,FindHistory,-8.8486189015,3.917e-06,"[13.7916049683, 13.9367797574, 14.0819545466, 14.2271293357, 14.3723041249, 14.517478914, 14.6626537031, 14.8078284923, 14.953003281400001, 15.0981780706, 15.2433528597]" +19,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ir,"[-8.80439336, -8.82086378, -8.83328566, -8.84189268, -8.84691793, -8.84857185, -8.847053559999999, -8.8425596, -8.83526131, -8.82533756, -8.81293674]",PBE,-8.848571066793243,6.7500478733722e-06,46.0,1.0,-8.59369629930359e-05,-8.59369629930359e-05,E0,FindHistory,-8.8485634626,3.8377000000000005e-06,"[13.7916243245, 13.9367993174, 14.0819743102, 14.2271493031, 14.372324296, 14.5174992889, 14.6626742818, 14.8078492747, 14.9530242676, 15.0981992605, 15.2433742534]" +20,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ir,"[-8.80434943, -8.82082146, -8.83324324, -8.841852620000001, -8.8468777, -8.8485316, -8.84701431, -8.84252171, -8.83522549, -8.82530086, -8.81290265]",PBE,-8.848571066793243,6.7500478733722e-06,36.0,1.0,-0.0005335007526766603,-0.0005335007526766603,E0,FindHistory,-8.8485238596,3.7619e-06,"[13.7915362996, 13.9367103659, 14.0818844322, 14.2270584986, 14.3722325649, 14.5174066312, 14.6625806975, 14.8077547638, 14.9529288301, 15.0981028964, 15.2432769627]" +21,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ir,"[-8.80110762, -8.81761341, -8.83006168, -8.83870343, -8.84375886, -8.8454448, -8.84395736, -8.83949568, -8.83222326, -8.82232486, -8.80995012]",PBE,-8.848571066793243,6.7500478733722e-06,16.0,1.0,-0.035412940344712665,-0.035412940344712665,E0,FindHistory,-8.8454375276,3.6265e-06,"[13.7929048482, 13.9380933203, 14.0832817924, 14.2284702645, 14.3736587366, 14.5188472086, 14.6640356807, 14.8092241528, 14.9544126249, 15.099601097, 15.2447895691]" +22,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ir,"[-8.80322301, -8.8196896, -8.83210815, -8.84071598, -8.84573576, -8.84738729, -8.84587474, -8.84137617, -8.83408408, -8.82415613, -8.81175922]",PBE,-8.848571066793243,6.7500478733722e-06,22.0,1.0,-0.013438716650034823,-0.013438716650034823,E0,FindHistory,-8.8473819324,3.6819e-06,"[13.7917074467, 13.9368833146, 14.0820591824, 14.2272350503, 14.3724109181, 14.517586786, 14.6627626539, 14.8079385217, 14.9531143896, 15.0982902574, 15.2434661253]" +23,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ir,"[-8.80443785, -8.82090801, -8.83332511, -8.84193428, -8.84695961, -8.84861148, -8.847095490000001, -8.84260158, -8.83530317, -8.82537599, -8.81297481]",PBE,-8.848571066793243,6.7500478733722e-06,40.0,1.0,-0.0003806615384885711,0.0003806615384885711,E0,FindHistory,-8.8486047499,3.7499000000000003e-06,"[13.7915234124, 13.9366973431, 14.0818712738, 14.2270452044, 14.3722191351, 14.5173930657, 14.6625669964, 14.8077409271, 14.9529148577, 15.0980887884, 15.243262719]" +24,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ir,"[-8.80433723, -8.82080461, -8.83322325, -8.84182993, -8.84685456, -8.84850585, -8.84698987, -8.84249453, -8.83519991, -8.82526798, -8.81286626]",PBE,-8.848571066793243,6.7500478733722e-06,38.0,1.0,-0.000806458949177551,-0.000806458949177551,E0,FindHistory,-8.8484997067,3.5329e-06,"[13.7918742401, 13.9370518637, 14.0822294873, 14.2274071109, 14.3725847344, 14.517762358, 14.6629399816, 14.8081176052, 14.9532952288, 15.0984728523, 15.2436504759]" +25,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ir,"[-8.80463643, -8.8211049, -8.83352238, -8.84212954, -8.847153370000001, -8.84880638, -8.84729018, -8.84279301, -8.83549714, -8.82556513, -8.81316474]",PBE,-8.848571066793243,6.7500478733722e-06,26.0,1.0,-0.002576905412588973,0.002576905412588973,E0,FindHistory,-8.8487990861,3.7563e-06,"[13.791685341099999, 13.9368609763, 14.0820366114, 14.2272122466, 14.3723878818, 14.517563517, 14.6627391521, 14.8079147873, 14.9530904225, 15.0982660576, 15.2434416928]" +26,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ir,"[-8.80447132, -8.82094343, -8.83336411, -8.84197332, -8.84699916, -8.84865349, -8.84713402, -8.84263671, -8.83533388, -8.82539804, -8.81299274]",PBE,-8.848571066793243,6.7500478733722e-06,28.0,1.0,-0.0008330283635598237,0.0008330283635598237,E0,FindHistory,-8.848644777899999,4.0618e-06,"[13.7914835609, 13.936657072, 14.0818305832, 14.2270040944, 14.3721776055, 14.5173511167, 14.6625246279, 14.807698139, 14.9528716502, 15.0980451614, 15.2432186725]" +27,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ir,"[-8.80444664, -8.82090406, -8.83331064, -8.84190893, -8.84691968, -8.8485637, -8.84703663, -8.84253251, -8.83522389, -8.8252876, -8.81287736]",PBE,-8.848571066793243,6.7500478733722e-06,60.0,1.0,-0.00016942275911083075,-0.00016942275911083075,E0,FindHistory,-8.8485560753,3.7269e-06,"[13.7920589319, 13.9372384996, 14.0824180673, 14.227597635, 14.3727772027, 14.5179567704, 14.6631363381, 14.8083159058, 14.9534954735, 15.0986750412, 15.2438546089]" +28,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ir,"[-8.74280532, -8.75916076, -8.77150234, -8.78003428, -8.78498508, -8.78657881, -8.78501167, -8.78045728, -8.77310222, -8.76313826, -8.75067316]",PBE,-8.848571066793243,6.7500478733722e-06,6.0,1.0,-0.7006636486868546,-0.7006636486868546,E0,FindHistory,-8.7865723459,4.9626000000000006e-06,"[13.8229208065, 13.968425236, 14.1139296656, 14.2594340951, 14.4049385247, 14.5504429542, 14.6959473837, 14.8414518133, 14.9869562428, 15.1324606724, 15.2779651019]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ir,"[-8.80445056, -8.82090873, -8.83331713, -8.84191258, -8.84692664, -8.84856977, -8.84704325, -8.84253547, -8.83522951, -8.825289380000001, -8.8128783]",PBE,-8.848571066793243,6.7500478733722e-06,56.0,1.0,-0.00010197910120377456,-0.00010197910120377456,E0,FindHistory,-8.8485620431,3.7199e-06,"[13.7920140093, 13.9371931042, 14.082372199, 14.2275512938, 14.3727303887, 14.5179094835, 14.6630885783, 14.8082676732, 14.953446768, 15.0986258628, 15.2438049577]" +30,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ir,"[-8.7623965, -8.77897859, -8.79149866, -8.80020703, -8.80533479, -8.8070853, -8.80566492, -8.80126473, -8.79406265, -8.78422672, -8.77191427]",PBE,-8.848571066793243,6.7500478733722e-06,8.0,1.0,-0.46889256672126,-0.46889256672126,E0,FindHistory,-8.807080774800001,3.2912e-06,"[13.8122781859, 13.957670587900001, 14.1030629898, 14.2484553918, 14.393847793700001, 14.5392401957, 14.6846325977, 14.830024999599999, 14.9754174016, 15.1208098035, 15.2662022055]" +31,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ir,"[-8.80437775, -8.820848250000001, -8.83327056, -8.84187787, -8.84690325, -8.84855739, -8.847039, -8.84254404, -8.83524533, -8.82531597, -8.81291499]",PBE,-8.848571066793243,6.7500478733722e-06,52.0,1.0,-0.00024850219405072585,-0.00024850219405072585,E0,FindHistory,-8.8485490779,3.8876e-06,"[13.7915876175, 13.936762224, 14.0819368305, 14.227111437, 14.3722860435, 14.51746065, 14.6626352565, 14.807809863, 14.9529844695, 15.098159076, 15.2433336825]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ir,"[-8.80444225, -8.82090039, -8.8333083, -8.84190596, -8.84691692, -8.84856173, -8.84703317, -8.8425302, -8.83522695, -8.82529035, -8.81288131]",PBE,-8.848571066793243,6.7500478733722e-06,58.0,1.0,-0.00019687916964507437,-0.00019687916964507437,E0,FindHistory,-8.848553645800001,3.4467e-06,"[13.7920416586, 13.9372210444, 14.0824004303, 14.2275798162, 14.3727592021, 14.517938588, 14.6631179738, 14.8082973597, 14.9534767456, 15.0986561315, 15.2438355174]" +33,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ir,"[-8.80443108, -8.82088868, -8.83329321, -8.84189343, -8.84690395, -8.84854804, -8.84701946, -8.84251561, -8.83520931, -8.82527207, -8.812863010000001]",PBE,-8.848571066793243,6.7500478733722e-06,50.0,1.0,-0.0003540390081610258,-0.0003540390081610258,E0,FindHistory,-8.848539739400001,3.8080000000000002e-06,"[13.7920053913, 13.9371843955, 14.0823633996, 14.2275424037, 14.3727214078, 14.5179004119, 14.6630794161, 14.8082584202, 14.9534374243, 15.0986164284, 15.2437954325]" +0,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ir,"[-9.0266305, -9.04306783, -9.0554226, -9.06388796, -9.06869188, -9.07010365, -9.06833539, -9.06347216, -9.05581827, -9.04543816, -9.03258171]",PBE,5.155868060529331,0.00104496385421771,4.0,1.0,0.7655106815374682,-0.7655106815374682,dB,FindHistory,5.1163993398,0.0382827752,"[13.6516934442, 13.7953954804, 13.9390975167, 14.082799553, 14.2265015892, 14.3702036255, 14.5139056617, 14.657607698, 14.8013097342, 14.9450117705, 15.0887138067]" +1,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ir,"[-8.80443282, -8.82088922, -8.8332964, -8.84189239, -8.84690338, -8.848546259999999, -8.84701982, -8.84251268, -8.83520791, -8.82526699, -8.81285929]",PBE,5.155868060529331,0.00104496385421771,66.0,1.0,0.10621420224567268,-0.10621420224567268,dB,FindHistory,5.1503917964,0.0196040972,"[13.7920871048, 13.9372669691, 14.0824468333, 14.2276266976, 14.3728065619, 14.5179864261, 14.6631662904, 14.8083461546, 14.9535260189, 15.0987058832, 15.2438857474]" +2,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ir,"[-8.80393777, -8.82040502, -8.83282756, -8.84143299, -8.84645806, -8.8481121, -8.84659679, -8.84210039, -8.83480571, -8.824875070000001, -8.81247712]",PBE,5.155868060529331,0.00104496385421771,24.0,1.0,0.14332216888754531,-0.14332216888754531,dB,FindHistory,5.1484785586,0.020382791100000002,"[13.7919626464, 13.9371412006, 14.0823197547, 14.2274983089, 14.3726768631, 14.5178554172, 14.6630339714, 14.8082125256, 14.9533910798, 15.0985696339, 15.2437481881]" +3,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ir,"[-8.80446085, -8.82093271, -8.83335647, -8.84196362, -8.84698611, -8.84864034, -8.84712551, -8.84262753, -8.83533011, -8.82540143, -8.81299877]",PBE,5.155868060529331,0.00104496385421771,42.0,1.0,0.05677754153061653,-0.05677754153061653,dB,FindHistory,5.1529406854,0.018538412,"[13.7914799794, 13.9366534529, 14.0818269264, 14.2270003998, 14.3721738733, 14.5173473468, 14.6625208202, 14.8076942937, 14.9528677672, 15.0980412406, 15.2432147141]" +4,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ir,"[-8.80049197, -8.81702375, -8.82949459, -8.83816127, -8.84323481, -8.84493565, -8.84346704, -8.83901801, -8.83176241, -8.82187787, -8.80951778]",PBE,5.155868060529331,0.00104496385421771,14.0,1.0,0.039781722597458005,-0.039781722597458005,dB,FindHistory,5.1538169674,0.0197708728,"[13.7885078482, 13.9336500361, 14.078792224, 14.2239344119, 14.3690765997, 14.5142187876, 14.6593609755, 14.8045031634, 14.949645351200001, 15.0947875391, 15.239929727]" +5,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ir,"[-8.80414, -8.82062138, -8.8330582, -8.84168168, -8.84672332, -8.84839142, -8.84688906, -8.84240513, -8.83512513, -8.8252105, -8.81282233]",PBE,5.155868060529331,0.00104496385421771,18.0,1.0,0.19611380490393623,-0.19611380490393623,dB,FindHistory,5.1457566915,0.021919514,"[13.7912745946, 13.9364459061, 14.0816172177, 14.2267885292, 14.3719598407, 14.5171311522, 14.6623024638, 14.8074737753, 14.9526450868, 15.0978163983, 15.2429877098]" +6,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ir,"[-8.8054091, -8.82192176, -8.83438959, -8.84303842, -8.848094679999999, -8.84978192, -8.84828887, -8.84382368, -8.83655303, -8.82664835, -8.81426837]",PBE,5.155868060529331,0.00104496385421771,12.0,1.0,0.0975691253463293,0.0975691253463293,dB,FindHistory,5.1608985959,0.0212089919,"[13.7866533713, 13.9317760383, 14.0768987054, 14.2220213725, 14.3671440395, 14.5122667066, 14.6573893737, 14.8025120407, 14.9476347078, 15.0927573749, 15.2378800419]" +7,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ir,"[-8.81065701, -8.82719456, -8.83967571, -8.84833006, -8.85339983, -8.85509236, -8.85360495, -8.84913329, -8.84186035, -8.8319511, -8.81955104]",PBE,5.155868060529331,0.00104496385421771,10.0,1.0,0.13041612295718708,-0.13041612295718708,dB,FindHistory,5.1491439773000005,0.0165498356,"[13.7868969412, 13.9320221721, 14.0771474031, 14.222272634, 14.367397865000001, 14.512523096, 14.6576483269, 14.8027735579, 14.9478987888, 15.0930240198, 15.2381492508]" +8,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ir,"[-8.80440523, -8.82087741, -8.83329582, -8.8419059, -8.84692828, -8.84858155, -8.8470662, -8.84256865, -8.83527387, -8.82534569, -8.81294566]",PBE,5.155868060529331,0.00104496385421771,34.0,1.0,0.02539559030524584,-0.02539559030524584,dB,FindHistory,5.1545586974,0.019031690900000002,"[13.791529665, 13.9367036615, 14.081877658, 14.2270516545, 14.3722256509, 14.5173996474, 14.6625736439, 14.8077476403, 14.9529216368, 15.0980956333, 15.2432696298]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ir,"[-8.80445716, -8.82091379, -8.833320669999999, -8.84191676, -8.84692968, -8.84856972, -8.84704, -8.84253481, -8.83522818, -8.82528939, -8.81287934]",PBE,5.155868060529331,0.00104496385421771,70.0,1.0,0.03163143257709555,-0.03163143257709555,dB,FindHistory,5.1542371856,0.0197448783,"[13.7920803448, 13.937260137900001, 14.082439931, 14.2276197241, 14.3727995172, 14.5179793103, 14.6631591035, 14.8083388966, 14.953518689700001, 15.0986984828, 15.2438782759]" +10,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ir,"[-8.80446865, -8.82092537, -8.83333216, -8.84192852, -8.84693762, -8.84858075, -8.84705009, -8.842545340000001, -8.835239810000001, -8.82530174, -8.81289113]",PBE,5.155868060529331,0.00104496385421771,62.0,1.0,0.020131640630530225,-0.020131640630530225,dB,FindHistory,5.154830099700001,0.0184154305,"[13.7920417151, 13.9372211016, 14.0824004881, 14.2275798746, 14.372759261, 14.5179386475, 14.663118034, 14.8082974205, 14.9534768069, 15.0986561934, 15.2438355799]" +11,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ir,"[-8.80444086, -8.82089854, -8.83330641, -8.841902900000001, -8.84691675, -8.84855739, -8.84703156, -8.84252318, -8.83521862, -8.82528081, -8.81286926]",PBE,5.155868060529331,0.00104496385421771,64.0,1.0,0.08398823589923626,-0.08398823589923626,dB,FindHistory,5.1515377379,0.0193086938,"[13.7920669948, 13.9372466473, 14.0824262999, 14.2276059525, 14.3727856051, 14.5179652576, 14.6631449102, 14.8083245628, 14.9535042154, 15.0986838679, 15.2438635205]" +12,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ir,"[-8.804433509999999, -8.82090619, -8.83332589, -8.841936369999999, -8.84696224, -8.84861684, -8.84709708, -8.84260138, -8.83530071, -8.825372980000001, -8.8129715]",PBE,5.155868060529331,0.00104496385421771,32.0,1.0,0.05910493623100309,-0.05910493623100309,dB,FindHistory,5.152820688,0.0219641487,"[13.7915945498, 13.9367692293, 14.0819439087, 14.2271185882, 14.3722932677, 14.5174679472, 14.6626426266, 14.8078173061, 14.9529919856, 15.098166665, 15.2433413445]" +13,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ir,"[-8.80570008, -8.82218848, -8.83462655, -8.84324726, -8.84828686, -8.84994753, -8.84844083, -8.84395411, -8.83666522, -8.82674103, -8.81434714]",PBE,5.155868060529331,0.00104496385421771,20.0,1.0,3.981619864804566e-05,3.981619864804566e-05,dB,FindHistory,5.1558701134,0.0198080765,"[13.7893461974, 13.93449721, 14.0796482226, 14.2247992352, 14.3699502478, 14.5151012604, 14.660252273, 14.8054032856, 14.9505542982, 15.0957053108, 15.2408563234]" +14,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ir,"[-8.80447268, -8.82092961, -8.83333696, -8.84193276, -8.84694666, -8.84858598, -8.84705689, -8.84255232, -8.83524338, -8.82530941, -8.81289889]",PBE,5.155868060529331,0.00104496385421771,68.0,1.0,0.03116086664375629,0.03116086664375629,dB,FindHistory,5.1574746737,0.0203304767,"[13.7920616631, 13.9372412596, 14.082420856, 14.2276004525, 14.3727800489, 14.5179596454, 14.6631392418, 14.8083188383, 14.9534984347, 15.0986780312, 15.2438576277]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ir,"[-8.80439821, -8.82086763, -8.83328875, -8.84189523, -8.84692055, -8.84857455, -8.84705652, -8.84256232, -8.835264, -8.82533981, -8.81293927]",PBE,5.155868060529331,0.00104496385421771,54.0,1.0,0.03676125352859683,-0.03676125352859683,dB,FindHistory,5.1539726988,0.0202686588,"[13.7916240983, 13.9367990888, 14.0819740794, 14.2271490699, 14.3723240604, 14.5174990509, 14.6626740414, 14.8078490319, 14.9530240224, 15.0981990129, 15.2433740034]" +16,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ir,"[-8.8042245, -8.82069152, -8.83310986, -8.84171579, -8.84674112, -8.84839357, -8.84687534, -8.84238172, -8.83508099, -8.82514757, -8.81274068]",PBE,5.155868060529331,0.00104496385421771,30.0,1.0,0.40795156280960626,-0.40795156280960626,dB,FindHistory,5.1348346162,0.018463948,"[13.7917792642, 13.936955888, 14.0821325119, 14.2273091357, 14.3724857595, 14.5176623834, 14.6628390072, 14.8080156311, 14.9531922549, 15.0983688787, 15.2435455026]" +17,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ir,"[-8.80426798, -8.82073766, -8.83315733, -8.84176525, -8.84678752, -8.84843941, -8.84692483, -8.84242717, -8.83513604, -8.82520737, -8.81280748]",PBE,5.155868060529331,0.00104496385421771,44.0,1.0,0.024899881344101517,-0.024899881344101517,dB,FindHistory,5.1545842555000005,0.0179510773,"[13.7916011286, 13.9367758774, 14.0819506261, 14.2271253748, 14.3723001235, 14.5174748722, 14.662649621, 14.8078243697, 14.9529991184, 15.0981738671, 15.2433486159]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ir,"[-8.80444775, -8.82091858, -8.83334124, -8.84194814, -8.84697333, -8.84862752, -8.84710849, -8.84261294, -8.83531385, -8.82538441, -8.81298324]",PBE,5.155868060529331,0.00104496385421771,48.0,1.0,0.06222277784589671,-0.06222277784589671,dB,FindHistory,5.1526599362,0.0204803515,"[13.7916049683, 13.9367797574, 14.0819545466, 14.2271293357, 14.3723041249, 14.517478914, 14.6626537031, 14.8078284923, 14.953003281400001, 15.0981780706, 15.2433528597]" +19,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ir,"[-8.80439336, -8.82086378, -8.83328566, -8.84189268, -8.84691793, -8.84857185, -8.847053559999999, -8.8425596, -8.83526131, -8.82533756, -8.81293674]",PBE,5.155868060529331,0.00104496385421771,46.0,1.0,0.0039250416863508475,0.0039250416863508475,dB,FindHistory,5.1560704305,0.0200692133,"[13.7916243245, 13.9367993174, 14.0819743102, 14.2271493031, 14.372324296, 14.5174992889, 14.6626742818, 14.8078492747, 14.9530242676, 15.0981992605, 15.2433742534]" +20,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ir,"[-8.80434943, -8.82082146, -8.83324324, -8.841852620000001, -8.8468777, -8.8485316, -8.84701431, -8.84252171, -8.83522549, -8.82530086, -8.81290265]",PBE,5.155868060529331,0.00104496385421771,36.0,1.0,0.04405028491819505,0.04405028491819505,dB,FindHistory,5.1581392351,0.019672082,"[13.7915362996, 13.9367103659, 14.0818844322, 14.2270584986, 14.3722325649, 14.5174066312, 14.6625806975, 14.8077547638, 14.9529288301, 15.0981028964, 15.2432769627]" +21,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ir,"[-8.80110762, -8.81761341, -8.83006168, -8.83870343, -8.84375886, -8.8454448, -8.84395736, -8.83949568, -8.83222326, -8.82232486, -8.80995012]",PBE,5.155868060529331,0.00104496385421771,16.0,1.0,0.23469753661787862,-0.23469753661787862,dB,FindHistory,5.1437673652,0.0189532199,"[13.7929048482, 13.9380933203, 14.0832817924, 14.2284702645, 14.3736587366, 14.5188472086, 14.6640356807, 14.8092241528, 14.9544126249, 15.099601097, 15.2447895691]" +22,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ir,"[-8.80322301, -8.8196896, -8.83210815, -8.84071598, -8.84573576, -8.84738729, -8.84587474, -8.84137617, -8.83408408, -8.82415613, -8.81175922]",PBE,5.155868060529331,0.00104496385421771,22.0,1.0,0.01887177906625612,-0.01887177906625612,dB,FindHistory,5.1548950565,0.019257288600000002,"[13.7917074467, 13.9368833146, 14.0820591824, 14.2272350503, 14.3724109181, 14.517586786, 14.6627626539, 14.8079385217, 14.9531143896, 15.0982902574, 15.2434661253]" +23,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ir,"[-8.80443785, -8.82090801, -8.83332511, -8.84193428, -8.84695961, -8.84861148, -8.847095490000001, -8.84260158, -8.83530317, -8.82537599, -8.81297481]",PBE,5.155868060529331,0.00104496385421771,40.0,1.0,0.1526479990747186,-0.1526479990747186,dB,FindHistory,5.1479977311,0.0196088789,"[13.7915234124, 13.9366973431, 14.0818712738, 14.2270452044, 14.3722191351, 14.5173930657, 14.6625669964, 14.8077409271, 14.9529148577, 15.0980887884, 15.243262719]" +24,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ir,"[-8.80433723, -8.82080461, -8.83322325, -8.84182993, -8.84685456, -8.84850585, -8.84698987, -8.84249453, -8.83519991, -8.82526798, -8.81286626]",PBE,5.155868060529331,0.00104496385421771,38.0,1.0,0.22316149083437872,-0.22316149083437872,dB,FindHistory,5.1443621485,0.018475312,"[13.7918742401, 13.9370518637, 14.0822294873, 14.2274071109, 14.3725847344, 14.517762358, 14.6629399816, 14.8081176052, 14.9532952288, 15.0984728523, 15.2436504759]" +25,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ir,"[-8.80463643, -8.8211049, -8.83352238, -8.84212954, -8.847153370000001, -8.84880638, -8.84729018, -8.84279301, -8.83549714, -8.82556513, -8.81316474]",PBE,5.155868060529331,0.00104496385421771,26.0,1.0,0.20041118407265207,-0.20041118407265207,dB,FindHistory,5.1455351243,0.0196419044,"[13.791685341099999, 13.9368609763, 14.0820366114, 14.2272122466, 14.3723878818, 14.517563517, 14.6627391521, 14.8079147873, 14.9530904225, 15.0982660576, 15.2434416928]" +26,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ir,"[-8.80447132, -8.82094343, -8.83336411, -8.84197332, -8.84699916, -8.84865349, -8.84713402, -8.84263671, -8.83533388, -8.82539804, -8.81299274]",PBE,5.155868060529331,0.00104496385421771,28.0,1.0,0.2757904714084316,-0.2757904714084316,dB,FindHistory,5.1416486677,0.0212315276,"[13.7914835609, 13.936657072, 14.0818305832, 14.2270040944, 14.3721776055, 14.5173511167, 14.6625246279, 14.807698139, 14.9528716502, 15.0980451614, 15.2432186725]" +27,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ir,"[-8.80444664, -8.82090406, -8.83331064, -8.84190893, -8.84691968, -8.8485637, -8.84703663, -8.84253251, -8.83522389, -8.8252876, -8.81287736]",PBE,5.155868060529331,0.00104496385421771,60.0,1.0,0.12832673861424362,-0.12832673861424362,dB,FindHistory,5.1492517032,0.0194926844,"[13.7920589319, 13.9372384996, 14.0824180673, 14.227597635, 14.3727772027, 14.5179567704, 14.6631363381, 14.8083159058, 14.9534954735, 15.0986750412, 15.2438546089]" +28,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ir,"[-8.74280532, -8.75916076, -8.77150234, -8.78003428, -8.78498508, -8.78657881, -8.78501167, -8.78045728, -8.77310222, -8.76313826, -8.75067316]",PBE,5.155868060529331,0.00104496385421771,6.0,1.0,1.1473407471807484,-1.1473407471807484,dB,FindHistory,5.0967126854,0.0260086695,"[13.8229208065, 13.968425236, 14.1139296656, 14.2594340951, 14.4049385247, 14.5504429542, 14.6959473837, 14.8414518133, 14.9869562428, 15.1324606724, 15.2779651019]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ir,"[-8.80445056, -8.82090873, -8.83331713, -8.84191258, -8.84692664, -8.84856977, -8.84704325, -8.84253547, -8.83522951, -8.825289380000001, -8.8128783]",PBE,5.155868060529331,0.00104496385421771,56.0,1.0,0.16208627977328818,-0.16208627977328818,dB,FindHistory,5.1475111058,0.0194546918,"[13.7920140093, 13.9371931042, 14.082372199, 14.2275512938, 14.3727303887, 14.5179094835, 14.6630885783, 14.8082676732, 14.953446768, 15.0986258628, 15.2438049577]" +30,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ir,"[-8.7623965, -8.77897859, -8.79149866, -8.80020703, -8.80533479, -8.8070853, -8.80566492, -8.80126473, -8.79406265, -8.78422672, -8.77191427]",PBE,5.155868060529331,0.00104496385421771,8.0,1.0,0.10017114225378777,-0.10017114225378777,dB,FindHistory,5.1507033686,0.0171813254,"[13.8122781859, 13.957670587900001, 14.1030629898, 14.2484553918, 14.393847793700001, 14.5392401957, 14.6846325977, 14.830024999599999, 14.9754174016, 15.1208098035, 15.2662022055]" +31,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ir,"[-8.80437775, -8.820848250000001, -8.83327056, -8.84187787, -8.84690325, -8.84855739, -8.847039, -8.84254404, -8.83524533, -8.82531597, -8.81291499]",PBE,5.155868060529331,0.00104496385421771,52.0,1.0,0.09209587354806886,-0.09209587354806886,dB,FindHistory,5.1511197188,0.020325618700000003,"[13.7915876175, 13.936762224, 14.0819368305, 14.227111437, 14.3722860435, 14.51746065, 14.6626352565, 14.807809863, 14.9529844695, 15.098159076, 15.2433336825]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ir,"[-8.80444225, -8.82090039, -8.8333083, -8.84190596, -8.84691692, -8.84856173, -8.84703317, -8.8425302, -8.83522695, -8.82529035, -8.81288131]",PBE,5.155868060529331,0.00104496385421771,58.0,1.0,0.05115793302630984,-0.05115793302630984,dB,FindHistory,5.153230425,0.0180296598,"[13.7920416586, 13.9372210444, 14.0824004303, 14.2275798162, 14.3727592021, 14.517938588, 14.6631179738, 14.8082973597, 14.9534767456, 15.0986561315, 15.2438355174]" +33,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ir,"[-8.80443108, -8.82088868, -8.83329321, -8.84189343, -8.84690395, -8.84854804, -8.84701946, -8.84251561, -8.83520931, -8.82527207, -8.812863010000001]",PBE,5.155868060529331,0.00104496385421771,50.0,1.0,0.10682869624801057,-0.10682869624801057,dB,FindHistory,5.1503601139,0.0199180514,"[13.7920053913, 13.9371843955, 14.0823633996, 14.2275424037, 14.3727214078, 14.5179004119, 14.6630794161, 14.8082584202, 14.9534374243, 15.0986164284, 15.2437954325]" +0,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ir,"[-9.0266305, -9.04306783, -9.0554226, -9.06388796, -9.06869188, -9.07010365, -9.06833539, -9.06347216, -9.05581827, -9.04543816, -9.03258171]",PBE,14.519122279277301,1.2244994332439e-05,4.0,1.0,1.0962871054848797,-1.0962871054848797,v0,FindHistory,14.359951013900002,0.00017707459999999998,"[13.6516934442, 13.7953954804, 13.9390975167, 14.082799553, 14.2265015892, 14.3702036255, 14.5139056617, 14.657607698, 14.8013097342, 14.9450117705, 15.0887138067]" +1,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ir,"[-8.80443282, -8.82088922, -8.8332964, -8.84189239, -8.84690338, -8.848546259999999, -8.84701982, -8.84251268, -8.83520791, -8.82526699, -8.81285929]",PBE,14.519122279277301,1.2244994332439e-05,66.0,1.0,0.00040904623266099533,0.00040904623266099533,v0,FindHistory,14.5191816692,9.1525e-05,"[13.7920871048, 13.9372669691, 14.0824468333, 14.2276266976, 14.3728065619, 14.5179864261, 14.6631662904, 14.8083461546, 14.9535260189, 15.0987058832, 15.2438857474]" +2,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ir,"[-8.80393777, -8.82040502, -8.83282756, -8.84143299, -8.84645806, -8.8481121, -8.84659679, -8.84210039, -8.83480571, -8.824875070000001, -8.81247712]",PBE,14.519122279277301,1.2244994332439e-05,24.0,1.0,0.00313544382327299,0.00313544382327299,v0,FindHistory,14.5195775182,9.515290000000001e-05,"[13.7919626464, 13.9371412006, 14.0823197547, 14.2274983089, 14.3726768631, 14.5178554172, 14.6630339714, 14.8082125256, 14.9533910798, 15.0985696339, 15.2437481881]" +3,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ir,"[-8.80446085, -8.82093271, -8.83335647, -8.84196362, -8.84698611, -8.84864034, -8.84712551, -8.84262753, -8.83533011, -8.82540143, -8.81299877]",PBE,14.519122279277301,1.2244994332439e-05,42.0,1.0,0.0006175964054600491,-0.0006175964054600491,v0,FindHistory,14.5190326097,8.654149999999999e-05,"[13.7914799794, 13.9366534529, 14.0818269264, 14.2270003998, 14.3721738733, 14.5173473468, 14.6625208202, 14.8076942937, 14.9528677672, 15.0980412406, 15.2432147141]" +4,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ir,"[-8.80049197, -8.81702375, -8.82949459, -8.83816127, -8.84323481, -8.84493565, -8.84346704, -8.83901801, -8.83176241, -8.82187787, -8.80951778]",PBE,14.519122279277301,1.2244994332439e-05,14.0,1.0,0.006939205813694075,-0.006939205813694075,v0,FindHistory,14.5181147675,9.22445e-05,"[13.7885078482, 13.9336500361, 14.078792224, 14.2239344119, 14.3690765997, 14.5142187876, 14.6593609755, 14.8045031634, 14.949645351200001, 15.0947875391, 15.239929727]" +5,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ir,"[-8.81065701, -8.82719456, -8.83967571, -8.84833006, -8.85339983, -8.85509236, -8.85360495, -8.84913329, -8.84186035, -8.8319511, -8.81955104]",PBE,14.519122279277301,1.2244994332439e-05,10.0,1.0,0.022879452444889987,-0.022879452444889987,v0,FindHistory,14.515800383599998,7.72137e-05,"[13.7868969412, 13.9320221721, 14.0771474031, 14.222272634, 14.367397865000001, 14.512523096, 14.6576483269, 14.8027735579, 14.9478987888, 15.0930240198, 15.2381492508]" +6,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ir,"[-8.80414, -8.82062138, -8.8330582, -8.84168168, -8.84672332, -8.84839142, -8.84688906, -8.84240513, -8.83512513, -8.8252105, -8.81282233]",PBE,14.519122279277301,1.2244994332439e-05,18.0,1.0,0.002795720807982594,0.002795720807982594,v0,FindHistory,14.5195281934,0.0001023138,"[13.7912745946, 13.9364459061, 14.0816172177, 14.2267885292, 14.3719598407, 14.5171311522, 14.6623024638, 14.8074737753, 14.9526450868, 15.0978163983, 15.2429877098]" +7,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ir,"[-8.8054091, -8.82192176, -8.83438959, -8.84303842, -8.848094679999999, -8.84978192, -8.84828887, -8.84382368, -8.83655303, -8.82664835, -8.81426837]",PBE,14.519122279277301,1.2244994332439e-05,12.0,1.0,0.025931515038450842,-0.025931515038450842,v0,FindHistory,14.5153572509,9.89511e-05,"[13.7866533713, 13.9317760383, 14.0768987054, 14.2220213725, 14.3671440395, 14.5122667066, 14.6573893737, 14.8025120407, 14.9476347078, 15.0927573749, 15.2378800419]" +8,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ir,"[-8.80440523, -8.82087741, -8.83329582, -8.8419059, -8.84692828, -8.84858155, -8.8470662, -8.84256865, -8.83527387, -8.82534569, -8.81294566]",PBE,14.519122279277301,1.2244994332439e-05,34.0,1.0,0.00022408845849438683,-0.00022408845849438683,v0,FindHistory,14.519089743599999,8.88434e-05,"[13.791529665, 13.9367036615, 14.081877658, 14.2270516545, 14.3722256509, 14.5173996474, 14.6625736439, 14.8077476403, 14.9529216368, 15.0980956333, 15.2432696298]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ir,"[-8.80445716, -8.82091379, -8.833320669999999, -8.84191676, -8.84692968, -8.84856972, -8.84704, -8.84253481, -8.83522818, -8.82528939, -8.81287934]",PBE,14.519122279277301,1.2244994332439e-05,70.0,1.0,9.046154750436921e-05,9.046154750436921e-05,v0,FindHistory,14.519135413499999,9.21847e-05,"[13.7920803448, 13.937260137900001, 14.082439931, 14.2276197241, 14.3727995172, 14.5179793103, 14.6631591035, 14.8083388966, 14.953518689700001, 15.0986984828, 15.2438782759]" +10,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ir,"[-8.80446865, -8.82092537, -8.83333216, -8.84192852, -8.84693762, -8.84858075, -8.84705009, -8.842545340000001, -8.835239810000001, -8.82530174, -8.81289113]",PBE,14.519122279277301,1.2244994332439e-05,62.0,1.0,0.00018481955579255311,-0.00018481955579255311,v0,FindHistory,14.5190954451,8.597629999999999e-05,"[13.7920417151, 13.9372211016, 14.0824004881, 14.2275798746, 14.372759261, 14.5179386475, 14.663118034, 14.8082974205, 14.9534768069, 15.0986561934, 15.2438355799]" +11,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ir,"[-8.80444086, -8.82089854, -8.83330641, -8.841902900000001, -8.84691675, -8.84855739, -8.84703156, -8.84252318, -8.83521862, -8.82528081, -8.81286926]",PBE,14.519122279277301,1.2244994332439e-05,64.0,1.0,0.00029956854046205944,0.00029956854046205944,v0,FindHistory,14.519165774000001,9.01451e-05,"[13.7920669948, 13.9372466473, 14.0824262999, 14.2276059525, 14.3727856051, 14.5179652576, 14.6631449102, 14.8083245628, 14.9535042154, 15.0986838679, 15.2438635205]" +12,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ir,"[-8.804433509999999, -8.82090619, -8.83332589, -8.841936369999999, -8.84696224, -8.84861684, -8.84709708, -8.84260138, -8.83530071, -8.825372980000001, -8.8129715]",PBE,14.519122279277301,1.2244994332439e-05,32.0,1.0,0.0001898835354386187,0.0001898835354386187,v0,FindHistory,14.5191498487,0.0001025315,"[13.7915945498, 13.9367692293, 14.0819439087, 14.2271185882, 14.3722932677, 14.5174679472, 14.6626426266, 14.8078173061, 14.9529919856, 15.098166665, 15.2433413445]" +13,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ir,"[-8.80570008, -8.82218848, -8.83462655, -8.84324726, -8.84828686, -8.84994753, -8.84844083, -8.84395411, -8.83666522, -8.82674103, -8.81434714]",PBE,14.519122279277301,1.2244994332439e-05,20.0,1.0,0.012865378783718514,-0.012865378783718514,v0,FindHistory,14.5172543392,9.24473e-05,"[13.7893461974, 13.93449721, 14.0796482226, 14.2247992352, 14.3699502478, 14.5151012604, 14.660252273, 14.8054032856, 14.9505542982, 15.0957053108, 15.2408563234]" +14,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ir,"[-8.80447268, -8.82092961, -8.83333696, -8.84193276, -8.84694666, -8.84858598, -8.84705689, -8.84255232, -8.83524338, -8.82530941, -8.81289889]",PBE,14.519122279277301,1.2244994332439e-05,68.0,1.0,2.987630530678997e-05,-2.987630530678997e-05,v0,FindHistory,14.519117941500001,9.49164e-05,"[13.7920616631, 13.9372412596, 14.082420856, 14.2276004525, 14.3727800489, 14.5179596454, 14.6631392418, 14.8083188383, 14.9534984347, 15.0986780312, 15.2438576277]" +15,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ir,"[-8.80439821, -8.82086763, -8.83328875, -8.84189523, -8.84692055, -8.84857455, -8.84705652, -8.84256232, -8.835264, -8.82533981, -8.81293927]",PBE,14.519122279277301,1.2244994332439e-05,54.0,1.0,0.000534302426873967,0.000534302426873967,v0,FindHistory,14.5191998553,9.46177e-05,"[13.7916240983, 13.9367990888, 14.0819740794, 14.2271490699, 14.3723240604, 14.5174990509, 14.6626740414, 14.8078490319, 14.9530240224, 15.0981990129, 15.2433740034]" +16,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ir,"[-8.8042245, -8.82069152, -8.83310986, -8.84171579, -8.84674112, -8.84839357, -8.84687534, -8.84238172, -8.83508099, -8.82514757, -8.81274068]",PBE,14.519122279277301,1.2244994332439e-05,30.0,1.0,0.0016048444128716622,0.0016048444128716622,v0,FindHistory,14.519355288599998,8.61959e-05,"[13.7917792642, 13.936955888, 14.0821325119, 14.2273091357, 14.3724857595, 14.5176623834, 14.6628390072, 14.8080156311, 14.9531922549, 15.0983688787, 15.2435455026]" +17,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ir,"[-8.80426798, -8.82073766, -8.83315733, -8.84176525, -8.84678752, -8.84843941, -8.84692483, -8.84242717, -8.83513604, -8.82520737, -8.81280748]",PBE,14.519122279277301,1.2244994332439e-05,44.0,1.0,0.0003141059206024093,0.0003141059206024093,v0,FindHistory,14.5191678847,8.38002e-05,"[13.7916011286, 13.9367758774, 14.0819506261, 14.2271253748, 14.3723001235, 14.5174748722, 14.662649621, 14.8078243697, 14.9529991184, 15.0981738671, 15.2433486159]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ir,"[-8.80444775, -8.82091858, -8.83334124, -8.84194814, -8.84697333, -8.84862752, -8.84710849, -8.84261294, -8.83531385, -8.82538441, -8.81298324]",PBE,14.519122279277301,1.2244994332439e-05,48.0,1.0,0.00021169339377558437,0.00021169339377558437,v0,FindHistory,14.5191530153,9.56067e-05,"[13.7916049683, 13.9367797574, 14.0819545466, 14.2271293357, 14.3723041249, 14.517478914, 14.6626537031, 14.8078284923, 14.953003281400001, 15.0981780706, 15.2433528597]" +19,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ir,"[-8.80439336, -8.82086378, -8.83328566, -8.84189268, -8.84691793, -8.84857185, -8.847053559999999, -8.8425596, -8.83526131, -8.82533756, -8.81293674]",PBE,14.519122279277301,1.2244994332439e-05,46.0,1.0,0.0005224029472249259,0.0005224029472249259,v0,FindHistory,14.5191981276,9.3688e-05,"[13.7916243245, 13.9367993174, 14.0819743102, 14.2271493031, 14.372324296, 14.5174992889, 14.6626742818, 14.8078492747, 14.9530242676, 15.0981992605, 15.2433742534]" +20,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ir,"[-8.80434943, -8.82082146, -8.83324324, -8.841852620000001, -8.8468777, -8.8485316, -8.84701431, -8.84252171, -8.83522549, -8.82530086, -8.81290265]",PBE,14.519122279277301,1.2244994332439e-05,36.0,1.0,0.00010400850966406435,0.00010400850966406435,v0,FindHistory,14.5191373804,9.18319e-05,"[13.7915362996, 13.9367103659, 14.0818844322, 14.2270584986, 14.3722325649, 14.5174066312, 14.6625806975, 14.8077547638, 14.9529288301, 15.0981028964, 15.2432769627]" +21,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ir,"[-8.80110762, -8.81761341, -8.83006168, -8.83870343, -8.84375886, -8.8454448, -8.84395736, -8.83949568, -8.83222326, -8.82232486, -8.80995012]",PBE,14.519122279277301,1.2244994332439e-05,16.0,1.0,0.019668380551994432,0.019668380551994432,v0,FindHistory,14.521977955499999,8.84675e-05,"[13.7929048482, 13.9380933203, 14.0832817924, 14.2284702645, 14.3736587366, 14.5188472086, 14.6640356807, 14.8092241528, 14.9544126249, 15.099601097, 15.2447895691]" +22,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ir,"[-8.80322301, -8.8196896, -8.83210815, -8.84071598, -8.84573576, -8.84738729, -8.84587474, -8.84137617, -8.83408408, -8.82415613, -8.81175922]",PBE,14.519122279277301,1.2244994332439e-05,22.0,1.0,0.0009836401949891926,0.0009836401949891926,v0,FindHistory,14.5192650952,8.98984e-05,"[13.7917074467, 13.9368833146, 14.0820591824, 14.2272350503, 14.3724109181, 14.517586786, 14.6627626539, 14.8079385217, 14.9531143896, 15.0982902574, 15.2434661253]" +23,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ir,"[-8.80443785, -8.82090801, -8.83332511, -8.84193428, -8.84695961, -8.84861148, -8.847095490000001, -8.84260158, -8.83530317, -8.82537599, -8.81297481]",PBE,14.519122279277301,1.2244994332439e-05,40.0,1.0,0.00010511225821989659,-0.00010511225821989659,v0,FindHistory,14.5191070179,9.15389e-05,"[13.7915234124, 13.9366973431, 14.0818712738, 14.2270452044, 14.3722191351, 14.5173930657, 14.6625669964, 14.8077409271, 14.9529148577, 15.0980887884, 15.243262719]" +24,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ir,"[-8.80433723, -8.82080461, -8.83322325, -8.84182993, -8.84685456, -8.84850585, -8.84698987, -8.84249453, -8.83519991, -8.82526798, -8.81286626]",PBE,14.519122279277301,1.2244994332439e-05,38.0,1.0,0.0023529109826989454,0.0023529109826989454,v0,FindHistory,14.519463901300002,8.62491e-05,"[13.7918742401, 13.9370518637, 14.0822294873, 14.2274071109, 14.3725847344, 14.517762358, 14.6629399816, 14.8081176052, 14.9532952288, 15.0984728523, 15.2436504759]" +25,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ir,"[-8.80463643, -8.8211049, -8.83352238, -8.84212954, -8.847153370000001, -8.84880638, -8.84729018, -8.84279301, -8.83549714, -8.82556513, -8.81316474]",PBE,14.519122279277301,1.2244994332439e-05,26.0,1.0,0.0008788136103850663,0.0008788136103850663,v0,FindHistory,14.5192498753,9.169520000000001e-05,"[13.791685341099999, 13.9368609763, 14.0820366114, 14.2272122466, 14.3723878818, 14.517563517, 14.6627391521, 14.8079147873, 14.9530904225, 15.0982660576, 15.2434416928]" +26,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ir,"[-8.80447132, -8.82094343, -8.83336411, -8.84197332, -8.84699916, -8.84865349, -8.84713402, -8.84263671, -8.83533388, -8.82539804, -8.81299274]",PBE,14.519122279277301,1.2244994332439e-05,28.0,1.0,0.0007544152821000763,-0.0007544152821000763,v0,FindHistory,14.5190127448,9.9115e-05,"[13.7914835609, 13.936657072, 14.0818305832, 14.2270040944, 14.3721776055, 14.5173511167, 14.6625246279, 14.807698139, 14.9528716502, 15.0980451614, 15.2432186725]" +27,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ir,"[-8.80444664, -8.82090406, -8.83331064, -8.84190893, -8.84691968, -8.8485637, -8.84703663, -8.84253251, -8.83522389, -8.8252876, -8.81287736]",PBE,14.519122279277301,1.2244994332439e-05,60.0,1.0,0.00039724248883456616,0.00039724248883456616,v0,FindHistory,14.5191799554,9.10057e-05,"[13.7920589319, 13.9372384996, 14.0824180673, 14.227597635, 14.3727772027, 14.5179567704, 14.6631363381, 14.8083159058, 14.9534954735, 15.0986750412, 15.2438546089]" +28,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ir,"[-8.74280532, -8.75916076, -8.77150234, -8.78003428, -8.78498508, -8.78657881, -8.78501167, -8.78045728, -8.77310222, -8.76313826, -8.75067316]",PBE,14.519122279277301,1.2244994332439e-05,6.0,1.0,0.20908231461088145,0.20908231461088145,v0,FindHistory,14.549479196199998,0.0001217366,"[13.8229208065, 13.968425236, 14.1139296656, 14.2594340951, 14.4049385247, 14.5504429542, 14.6959473837, 14.8414518133, 14.9869562428, 15.1324606724, 15.2779651019]" +29,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ir,"[-8.80445056, -8.82090873, -8.83331713, -8.84191258, -8.84692664, -8.84856977, -8.84704325, -8.84253547, -8.83522951, -8.825289380000001, -8.8128783]",PBE,14.519122279277301,1.2244994332439e-05,56.0,1.0,1.730354391797289e-05,1.730354391797289e-05,v0,FindHistory,14.519124791600001,9.08301e-05,"[13.7920140093, 13.9371931042, 14.082372199, 14.2275512938, 14.3727303887, 14.5179094835, 14.6630885783, 14.8082676732, 14.953446768, 15.0986258628, 15.2438049577]" +30,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ir,"[-8.7623965, -8.77897859, -8.79149866, -8.80020703, -8.80533479, -8.8070853, -8.80566492, -8.80126473, -8.79406265, -8.78422672, -8.77191427]",PBE,14.519122279277301,1.2244994332439e-05,8.0,1.0,0.18118350556387197,0.18118350556387197,v0,FindHistory,14.545428534000001,8.02686e-05,"[13.8122781859, 13.957670587900001, 14.1030629898, 14.2484553918, 14.393847793700001, 14.5392401957, 14.6846325977, 14.830024999599999, 14.9754174016, 15.1208098035, 15.2662022055]" +31,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ir,"[-8.80437775, -8.820848250000001, -8.83327056, -8.84187787, -8.84690325, -8.84855739, -8.847039, -8.84254404, -8.83524533, -8.82531597, -8.81291499]",PBE,14.519122279277301,1.2244994332439e-05,52.0,1.0,0.00021021396549022586,0.00021021396549022586,v0,FindHistory,14.519152800499999,9.48848e-05,"[13.7915876175, 13.936762224, 14.0819368305, 14.227111437, 14.3722860435, 14.51746065, 14.6626352565, 14.807809863, 14.9529844695, 15.098159076, 15.2433336825]" +32,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ir,"[-8.80444225, -8.82090039, -8.8333083, -8.84190596, -8.84691692, -8.84856173, -8.84703317, -8.8425302, -8.83522695, -8.82529035, -8.81288131]",PBE,14.519122279277301,1.2244994332439e-05,58.0,1.0,0.0004095379979166964,0.0004095379979166964,v0,FindHistory,14.519181740599999,8.417440000000001e-05,"[13.7920416586, 13.9372210444, 14.0824004303, 14.2275798162, 14.3727592021, 14.517938588, 14.6631179738, 14.8082973597, 14.9534767456, 15.0986561315, 15.2438355174]" +33,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ir,"[-8.80443108, -8.82088868, -8.83329321, -8.84189343, -8.84690395, -8.84854804, -8.84701946, -8.84251561, -8.83520931, -8.82527207, -8.812863010000001]",PBE,14.519122279277301,1.2244994332439e-05,50.0,1.0,1.0579996984089754e-05,1.0579996984089754e-05,v0,FindHistory,14.5191238154,9.29909e-05,"[13.7920053913, 13.9371843955, 14.0823633996, 14.2275424037, 14.3727214078, 14.5179004119, 14.6630794161, 14.8082584202, 14.9534374243, 15.0986164284, 15.2437954325]" +0,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Mo,"[-10.91299775, -10.92635852, -10.93647563, -10.94352242, -10.94765095, -10.94901945, -10.94776345, -10.94402107, -10.93792246, -10.92958796, -10.91913424]",PBE,268.285024518414,0.0347245769411946,24.0,1.0,0.0769731089108278,-0.0769731089108278,B,FindHistory,268.0785171943,0.034368600400000004,"[14.8558071959, 15.0121841137, 15.1685610316, 15.3249379494, 15.4813148673, 15.6376917851, 15.794068703, 15.9504456208, 16.1068225387, 16.2631994565, 16.4195763744]" +1,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,268.285024518414,0.0347245769411946,10.0,1.0,0.2083966933635704,0.2083966933635704,B,FindHistory,268.8441216383,1.2082425641,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +2,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Mo,"[-10.91300862, -10.92649362, -10.93673504, -10.9439024, -10.94814521, -10.94961099, -10.94843778, -10.94477344, -10.93873514, -10.93036977, -10.91997909]",PBE,268.285024518414,0.0347245769411946,12.0,1.0,0.36380612188028333,0.36380612188028333,B,FindHistory,269.2610618617,0.14387857269999998,"[14.8514335284, 15.0077644076, 15.1640952869, 15.3204261661, 15.4767570454, 15.6330879246, 15.7894188039, 15.9457496831, 16.1020805624, 16.2584114416, 16.4147423208]" +3,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692472, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,268.285024518414,0.0347245769411946,8.0,1.0,0.6620710780165578,0.6620710780165578,B,FindHistory,270.06126207240004,0.2317034774,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +4,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Mo,"[-10.9133882, -10.92674059, -10.93685482, -10.94389123, -10.94801077, -10.94936586, -10.948091980000001, -10.94433297, -10.93821547, -10.92986144, -10.91938642]",PBE,268.285024518414,0.0347245769411946,32.0,1.0,0.013638161224867199,0.013638161224867199,B,FindHistory,268.3216136626,0.041631850500000005,"[14.856844986, 15.0132328279, 15.1696206699, 15.3260085119, 15.4823963538, 15.6387841958, 15.7951720377, 15.9515598797, 16.1079477217, 16.2643355636, 16.4207234056]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Mo,"[-10.91350359, -10.92684556, -10.93694866, -10.94397636, -10.9480905, -10.94943535, -10.94815658, -10.94439037, -10.938265789999999, -10.92990521, -10.91942314]",PBE,268.285024518414,0.0347245769411946,40.0,1.0,0.009072051013543659,0.009072051013543659,B,FindHistory,268.3093634727,0.041787790500000005,"[14.8571222508, 15.0135130114, 15.1699037719, 15.3262945324, 15.482685293, 15.6390760535, 15.795466814000001, 15.9518575746, 16.1082483351, 16.2646390957, 16.4210298562]" +6,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,268.285024518414,0.0347245769411946,10.0,1.0,0.2083966933635704,0.2083966933635704,B,FindHistory,268.8441216383,1.2082425641,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +7,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Mo,"[-10.91298585, -10.92639699, -10.936569949999999, -10.9436677, -10.94784154, -10.94925501, -10.94803548, -10.94432675, -10.93825829, -10.92995192, -10.91952775]",PBE,268.285024518414,0.0347245769411946,16.0,1.0,0.011849861073335698,0.011849861073335698,B,FindHistory,268.3168159211,0.052088854500000004,"[14.852913949, 15.0092604116, 15.1656068742, 15.3219533368, 15.4782997995, 15.6346462621, 15.7909927247, 15.9473391873, 16.1036856499, 16.2600321126, 16.4163785752]" +8,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692473, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,268.285024518414,0.0347245769411946,8.0,1.0,0.6620671975912252,0.6620671975912252,B,FindHistory,270.0612516618,0.23170193050000001,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Mo,"[-10.91316853, -10.92652682, -10.93664429, -10.94368959, -10.94781809, -10.94917754, -10.94791198, -10.944159280000001, -10.9380509, -10.92970877, -10.91924956]",PBE,268.285024518414,0.0347245769411946,28.0,1.0,0.0278371774749817,-0.0278371774749817,B,FindHistory,268.21034154,0.052578048200000005,"[14.8566463836, 15.013032135, 15.1694178864, 15.3258036378, 15.4821893892, 15.6385751407, 15.7949608921, 15.9513466435, 16.1077323949, 16.2641181463, 16.4205038977]" +10,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Mo,"[-10.91341402, -10.92675707, -10.93686071, -10.94388777, -10.94800259, -10.94934878, -10.94807407, -10.94431056, -10.9381889, -10.92983221, -10.91935583]",PBE,268.285024518414,0.0347245769411946,38.0,1.0,0.016690466676009,-0.016690466676009,B,FindHistory,268.2402464958,0.039100903,"[14.8570351149, 15.0134249582, 15.1698148015, 15.3262046448, 15.4825944882, 15.6389843315, 15.7953741748, 15.9517640181, 16.1081538614, 16.2645437047, 16.420933548]" +11,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Mo,"[-10.91318841, -10.92655745, -10.93668548, -10.94373841, -10.94788603, -10.94925911, -10.94801312, -10.94427294, -10.93817515, -10.92983918, -10.91938007]",PBE,268.285024518414,0.0347245769411946,22.0,1.0,0.014245621902527185,-0.014245621902527185,B,FindHistory,268.2468056482,0.0421718152,"[14.8558800561, 15.0122577409, 15.1686354257, 15.3250131105, 15.4813907953, 15.6377684801, 15.7941461649, 15.9505238497, 16.1069015345, 16.2632792193, 16.419656904100002]" +12,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Mo,"[-10.90943873, -10.92286624, -10.93306173, -10.94017105, -10.94439779, -10.945873689999999, -10.9446821, -10.94098904, -10.9349479, -10.92664799, -10.91624592]",PBE,268.285024518414,0.0347245769411946,14.0,1.0,0.003487843573384839,0.003487843573384839,B,FindHistory,268.2943818804,0.1224926876,"[14.8581896121, 15.014591608, 15.170993604, 15.327395599900001, 15.4837975958, 15.6401995917, 15.7966015876, 15.9530035836, 16.1094055795, 16.2658075754, 16.4222095713]" +13,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Mo,"[-10.91346136, -10.92682506, -10.9369504, -10.943996630000001, -10.94812538, -10.949486910000001, -10.94821962, -10.94446549, -10.938354499999999, -10.93000618, -10.91953444]",PBE,268.285024518414,0.0347245769411946,26.0,1.0,0.03698945182055458,0.03698945182055458,B,FindHistory,268.3842616783,0.043110071900000005,"[14.856266266, 15.0126480161, 15.1690297663, 15.3254115165, 15.4817932666, 15.6381750168, 15.794556767, 15.950938517099999, 16.1073202673, 16.2637020175, 16.4200837676]" +14,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Mo,"[-10.913388489999999, -10.92673136, -10.93683396, -10.94386094, -10.94797346, -10.94932624, -10.94805185, -10.94429445, -10.93817553, -10.92982354, -10.91935307]",PBE,268.285024518414,0.0347245769411946,34.0,1.0,0.052032222284707524,-0.052032222284707524,B,FindHistory,268.1454298581,0.0362751771,"[14.8570510145, 15.0134410252, 15.1698310358, 15.3262210465, 15.4826110572, 15.6390010679, 15.7953910786, 15.9517810892, 16.1081710999, 16.2645611106, 16.4209511213]" +15,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Mo,"[-10.91343256, -10.9267853, -10.9368965, -10.9439371, -10.94805462, -10.94940992, -10.94814064, -10.94438395, -10.93826522, -10.92991472, -10.91944453]",PBE,268.285024518414,0.0347245769411946,30.0,1.0,0.0008777329700910366,-0.0008777329700910366,B,FindHistory,268.2826696923,0.043990095,"[14.8563058293, 15.0126879959, 15.1690701625, 15.325452329099999, 15.4818344957, 15.6382166624, 15.794598829, 15.9509809956, 16.1073631622, 16.2637453289, 16.4201274955]" +16,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Mo,"[-10.91248945, -10.92589205, -10.93605011, -10.94313642, -10.94729935, -10.9487011, -10.94747276, -10.94375106, -10.93766953, -10.92935206, -10.91891204]",PBE,268.285024518414,0.0347245769411946,18.0,1.0,0.02578844212797997,0.02578844212797997,B,FindHistory,268.35421104669996,0.0470485993,"[14.854880906, 15.0112480734, 15.1676152408, 15.323982408300001, 15.4803495757, 15.6367167431, 15.7930839106, 15.949451078, 16.1058182454, 16.2621854129, 16.4185525803]" +17,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Mo,"[-10.91305296, -10.92642772, -10.93656773, -10.9436286, -10.94777253, -10.9491482, -10.94790585, -10.94416934, -10.93807526, -10.92974391, -10.91929239]",PBE,268.285024518414,0.0347245769411946,20.0,1.0,0.011475804834541097,-0.011475804834541097,B,FindHistory,268.25423665259996,0.0407451411,"[14.8553296239, 15.0117015147, 15.1680734055, 15.3244452963, 15.480817187, 15.6371890778, 15.7935609686, 15.9499328594, 16.1063047501, 16.2626766409, 16.4190485317]" +18,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Mo,"[-10.91346238, -10.92680356, -10.93691023, -10.94394246, -10.94805607, -10.94940511, -10.948134809999999, -10.94437097, -10.93825207, -10.92989447, -10.9194213]",PBE,268.285024518414,0.0347245769411946,36.0,1.0,0.015228254870851013,-0.015228254870851013,B,FindHistory,268.2441693911,0.045017370300000005,"[14.8569167096, 15.0133053065, 15.1696939035, 15.3260825004, 15.4824710974, 15.6388596943, 15.7952482912, 15.9516368882, 16.1080254851, 16.2644140821, 16.420802679]" +0,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Mo,"[-10.91299775, -10.92635852, -10.93647563, -10.94352242, -10.94765095, -10.94901945, -10.94776345, -10.94402107, -10.93792246, -10.92958796, -10.91913424]",PBE,-10.9494434578581,3.04199530583284e-05,24.0,1.0,-0.003919839942114551,-0.003919839942114551,E0,FindHistory,-10.9490142572,2.2047000000000003e-06,"[14.8558071959, 15.0121841137, 15.1685610316, 15.3249379494, 15.4813148673, 15.6376917851, 15.794068703, 15.9504456208, 16.1068225387, 16.2631994565, 16.4195763744]" +1,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,-10.9494434578581,3.04199530583284e-05,10.0,1.0,-0.09767453021025412,-0.09767453021025412,E0,FindHistory,-10.9387486404,7.71615e-05,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +2,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Mo,"[-10.91300862, -10.92649362, -10.93673504, -10.9439024, -10.94814521, -10.94961099, -10.94843778, -10.94477344, -10.93873514, -10.93036977, -10.91997909]",PBE,-10.9494434578581,3.04199530583284e-05,12.0,1.0,-0.001512522919876088,0.001512522919876088,E0,FindHistory,-10.9496090707,9.1713e-06,"[14.8514335284, 15.0077644076, 15.1640952869, 15.3204261661, 15.4767570454, 15.6330879246, 15.7894188039, 15.9457496831, 16.1020805624, 16.2584114416, 16.4147423208]" +3,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692472, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,-10.9494434578581,3.04199530583284e-05,8.0,1.0,-0.08042422331320895,-0.08042422331320895,E0,FindHistory,-10.940637452999999,1.46381e-05,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +4,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Mo,"[-10.9133882, -10.92674059, -10.93685482, -10.94389123, -10.94801077, -10.94936586, -10.948091980000001, -10.94433297, -10.93821547, -10.92986144, -10.91938642]",PBE,-10.9494434578581,3.04199530583284e-05,32.0,1.0,-0.0007715018432283064,-0.0007715018432283064,E0,FindHistory,-10.9493589827,2.6732e-06,"[14.856844986, 15.0132328279, 15.1696206699, 15.3260085119, 15.4823963538, 15.6387841958, 15.7951720377, 15.9515598797, 16.1079477217, 16.2643355636, 16.4207234056]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Mo,"[-10.91350359, -10.92684556, -10.93694866, -10.94397636, -10.9480905, -10.94943535, -10.94815658, -10.94439037, -10.938265789999999, -10.92990521, -10.91942314]",PBE,-10.9494434578581,3.04199530583284e-05,40.0,1.0,-0.00012512195851820202,-0.00012512195851820202,E0,FindHistory,-10.949429757699999,2.6845000000000003e-06,"[14.8571222508, 15.0135130114, 15.1699037719, 15.3262945324, 15.482685293, 15.6390760535, 15.795466814000001, 15.9518575746, 16.1082483351, 16.2646390957, 16.4210298562]" +6,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,-10.9494434578581,3.04199530583284e-05,10.0,1.0,-0.09767453021025412,-0.09767453021025412,E0,FindHistory,-10.9387486404,7.71615e-05,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +7,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Mo,"[-10.91298585, -10.92639699, -10.936569949999999, -10.9436677, -10.94784154, -10.94925501, -10.94803548, -10.94432675, -10.93825829, -10.92995192, -10.91952775]",PBE,-10.9494434578581,3.04199530583284e-05,16.0,1.0,-0.001788627512029969,-0.001788627512029969,E0,FindHistory,-10.949247613099999,3.331600000000001e-06,"[14.852913949, 15.0092604116, 15.1656068742, 15.3219533368, 15.4782997995, 15.6346462621, 15.7909927247, 15.9473391873, 16.1036856499, 16.2600321126, 16.4163785752]" +8,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692473, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,-10.9494434578581,3.04199530583284e-05,8.0,1.0,-0.08042422148663195,-0.08042422148663195,E0,FindHistory,-10.940637453199999,1.4638e-05,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Mo,"[-10.91316853, -10.92652682, -10.93664429, -10.94368959, -10.94781809, -10.94917754, -10.94791198, -10.944159280000001, -10.9380509, -10.92970877, -10.91924956]",PBE,-10.9494434578581,3.04199530583284e-05,28.0,1.0,-0.0024949035916865324,-0.0024949035916865324,E0,FindHistory,-10.9491702798,3.3744000000000007e-06,"[14.8566463836, 15.013032135, 15.1694178864, 15.3258036378, 15.4821893892, 15.6385751407, 15.7949608921, 15.9513466435, 16.1077323949, 16.2641181463, 16.4205038977]" +10,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Mo,"[-10.91341402, -10.92675707, -10.93686071, -10.94388777, -10.94800259, -10.94934878, -10.94807407, -10.94431056, -10.9381889, -10.92983221, -10.91935583]",PBE,-10.9494434578581,3.04199530583284e-05,38.0,1.0,-0.0009065689821056564,-0.0009065689821056564,E0,FindHistory,-10.949344193599998,2.5116e-06,"[14.8570351149, 15.0134249582, 15.1698148015, 15.3262046448, 15.4825944882, 15.6389843315, 15.7953741748, 15.9517640181, 16.1081538614, 16.2645437047, 16.420933548]" +11,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Mo,"[-10.91318841, -10.92655745, -10.93668548, -10.94373841, -10.94788603, -10.94925911, -10.94801312, -10.94427294, -10.93817515, -10.92983918, -10.91938007]",PBE,-10.9494434578581,3.04199530583284e-05,22.0,1.0,-0.0017230424434508144,-0.0017230424434508144,E0,FindHistory,-10.9492547943,2.7040000000000003e-06,"[14.8558800561, 15.0122577409, 15.1686354257, 15.3250131105, 15.4813907953, 15.6377684801, 15.7941461649, 15.9505238497, 16.1069015345, 16.2632792193, 16.419656904100002]" +12,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Mo,"[-10.90943873, -10.92286624, -10.93306173, -10.94017105, -10.94439779, -10.945873689999999, -10.9446821, -10.94098904, -10.9349479, -10.92664799, -10.91624592]",PBE,-10.9494434578581,3.04199530583284e-05,14.0,1.0,-0.032829581447997656,-0.032829581447997656,E0,FindHistory,-10.9458488014,7.8194e-06,"[14.8581896121, 15.014591608, 15.170993604, 15.327395599900001, 15.4837975958, 15.6401995917, 15.7966015876, 15.9530035836, 16.1094055795, 16.2658075754, 16.4222095713]" +13,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Mo,"[-10.91346136, -10.92682506, -10.9369504, -10.943996630000001, -10.94812538, -10.949486910000001, -10.94821962, -10.94446549, -10.938354499999999, -10.93000618, -10.91953444]",PBE,-10.9494434578581,3.04199530583284e-05,26.0,1.0,-0.00033486123783128314,0.00033486123783128314,E0,FindHistory,-10.949480123299999,2.7668e-06,"[14.856266266, 15.0126480161, 15.1690297663, 15.3254115165, 15.4817932666, 15.6381750168, 15.794556767, 15.950938517099999, 16.1073202673, 16.2637020175, 16.4200837676]" +14,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Mo,"[-10.913388489999999, -10.92673136, -10.93683396, -10.94386094, -10.94797346, -10.94932624, -10.94805185, -10.94429445, -10.93817553, -10.92982354, -10.91935307]",PBE,-10.9494434578581,3.04199530583284e-05,34.0,1.0,-0.0011264239920098528,-0.0011264239920098528,E0,FindHistory,-10.9493201207,2.3297e-06,"[14.8570510145, 15.0134410252, 15.1698310358, 15.3262210465, 15.4826110572, 15.6390010679, 15.7953910786, 15.9517810892, 16.1081710999, 16.2645611106, 16.4209511213]" +15,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Mo,"[-10.91343256, -10.9267853, -10.9368965, -10.9439371, -10.94805462, -10.94940992, -10.94814064, -10.94438395, -10.93826522, -10.92991472, -10.91944453]",PBE,-10.9494434578581,3.04199530583284e-05,30.0,1.0,-0.00035435918043790306,-0.00035435918043790306,E0,FindHistory,-10.9494046575,2.8243000000000002e-06,"[14.8563058293, 15.0126879959, 15.1690701625, 15.325452329099999, 15.4818344957, 15.6382166624, 15.794598829, 15.9509809956, 16.1073631622, 16.2637453289, 16.4201274955]" +16,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Mo,"[-10.91248945, -10.92589205, -10.93605011, -10.94313642, -10.94729935, -10.9487011, -10.94747276, -10.94375106, -10.93766953, -10.92935206, -10.91891204]",PBE,-10.9494434578581,3.04199530583284e-05,18.0,1.0,-0.0068398130095043905,-0.0068398130095043905,E0,FindHistory,-10.948694536400001,3.0121e-06,"[14.854880906, 15.0112480734, 15.1676152408, 15.323982408300001, 15.4803495757, 15.6367167431, 15.7930839106, 15.949451078, 16.1058182454, 16.2621854129, 16.4185525803]" +17,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Mo,"[-10.91305296, -10.92642772, -10.93656773, -10.9436286, -10.94777253, -10.9491482, -10.94790585, -10.94416934, -10.93807526, -10.92974391, -10.91929239]",PBE,-10.9494434578581,3.04199530583284e-05,20.0,1.0,-0.002719339656366282,-0.002719339656366282,E0,FindHistory,-10.9491457053,2.6119e-06,"[14.8553296239, 15.0117015147, 15.1680734055, 15.3244452963, 15.480817187, 15.6371890778, 15.7935609686, 15.9499328594, 16.1063047501, 16.2626766409, 16.4190485317]" +18,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Mo,"[-10.91346238, -10.92680356, -10.93691023, -10.94394246, -10.94805607, -10.94940511, -10.948134809999999, -10.94437097, -10.93825207, -10.92989447, -10.9194213]",PBE,-10.9494434578581,3.04199530583284e-05,36.0,1.0,-0.00038676630701154155,-0.00038676630701154155,E0,FindHistory,-10.9494011091,2.8912e-06,"[14.8569167096, 15.0133053065, 15.1696939035, 15.3260825004, 15.4824710974, 15.6388596943, 15.7952482912, 15.9516368882, 16.1080254851, 16.2644140821, 16.420802679]" +0,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Mo,"[-10.91299775, -10.92635852, -10.93647563, -10.94352242, -10.94765095, -10.94901945, -10.94776345, -10.94402107, -10.93792246, -10.92958796, -10.91913424]",PBE,4.28735395252809,0.00229579629169986,24.0,1.0,0.15588878702140274,0.15588878702140274,dB,FindHistory,4.2940374566,0.0139666747,"[14.8558071959, 15.0121841137, 15.1685610316, 15.3249379494, 15.4813148673, 15.6376917851, 15.794068703, 15.9504456208, 16.1068225387, 16.2631994565, 16.4195763744]" +1,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,4.28735395252809,0.00229579629169986,10.0,1.0,24.510248798293148,-24.510248798293148,dB,FindHistory,3.2365128319,0.4869900183,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +2,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Mo,"[-10.91300862, -10.92649362, -10.93673504, -10.9439024, -10.94814521, -10.94961099, -10.94843778, -10.94477344, -10.93873514, -10.93036977, -10.91997909]",PBE,4.28735395252809,0.00229579629169986,12.0,1.0,2.732719953271045,-2.732719953271045,dB,FindHistory,4.1701925756,0.057730056200000004,"[14.8514335284, 15.0077644076, 15.1640952869, 15.3204261661, 15.4767570454, 15.6330879246, 15.7894188039, 15.9457496831, 16.1020805624, 16.2584114416, 16.4147423208]" +3,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692472, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,4.28735395252809,0.00229579629169986,8.0,1.0,9.081080788734779,-9.081080788734779,dB,FindHistory,3.8980158764,0.0914915154,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +4,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Mo,"[-10.9133882, -10.92674059, -10.93685482, -10.94389123, -10.94801077, -10.94936586, -10.948091980000001, -10.94433297, -10.93821547, -10.92986144, -10.91938642]",PBE,4.28735395252809,0.00229579629169986,32.0,1.0,0.2014942005619768,0.2014942005619768,dB,FindHistory,4.2959927220999985,0.0169249501,"[14.856844986, 15.0132328279, 15.1696206699, 15.3260085119, 15.4823963538, 15.6387841958, 15.7951720377, 15.9515598797, 16.1079477217, 16.2643355636, 16.4207234056]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Mo,"[-10.91350359, -10.92684556, -10.93694866, -10.94397636, -10.9480905, -10.94943535, -10.94815658, -10.94439037, -10.938265789999999, -10.92990521, -10.91942314]",PBE,4.28735395252809,0.00229579629169986,40.0,1.0,0.028568886205161514,0.028568886205161514,dB,FindHistory,4.2885788018,0.016997454000000002,"[14.8571222508, 15.0135130114, 15.1699037719, 15.3262945324, 15.482685293, 15.6390760535, 15.795466814000001, 15.9518575746, 16.1082483351, 16.2646390957, 16.4210298562]" +6,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,4.28735395252809,0.00229579629169986,10.0,1.0,24.510248798293148,-24.510248798293148,dB,FindHistory,3.2365128319,0.4869900183,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +7,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Mo,"[-10.91298585, -10.92639699, -10.936569949999999, -10.9436677, -10.94784154, -10.94925501, -10.94803548, -10.94432675, -10.93825829, -10.92995192, -10.91952775]",PBE,4.28735395252809,0.00229579629169986,16.0,1.0,0.027168759211571872,0.027168759211571872,dB,FindHistory,4.2885187734,0.0210650317,"[14.852913949, 15.0092604116, 15.1656068742, 15.3219533368, 15.4782997995, 15.6346462621, 15.7909927247, 15.9473391873, 16.1036856499, 16.2600321126, 16.4163785752]" +8,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692473, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,4.28735395252809,0.00229579629169986,8.0,1.0,9.08120427049203,-9.08120427049203,dB,FindHistory,3.8980105823,0.0914916996,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Mo,"[-10.91316853, -10.92652682, -10.93664429, -10.94368959, -10.94781809, -10.94917754, -10.94791198, -10.944159280000001, -10.9380509, -10.92970877, -10.91924956]",PBE,4.28735395252809,0.00229579629169986,28.0,1.0,0.5102217758114298,0.5102217758114298,dB,FindHistory,4.309228966,0.0213689375,"[14.8566463836, 15.013032135, 15.1694178864, 15.3258036378, 15.4821893892, 15.6385751407, 15.7949608921, 15.9513466435, 16.1077323949, 16.2641181463, 16.4205038977]" +10,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Mo,"[-10.91341402, -10.92675707, -10.93686071, -10.94388777, -10.94800259, -10.94934878, -10.94807407, -10.94431056, -10.9381889, -10.92983221, -10.91935583]",PBE,4.28735395252809,0.00229579629169986,38.0,1.0,0.11667420108761957,0.11667420108761957,dB,FindHistory,4.2923561885,0.0159076782,"[14.8570351149, 15.0134249582, 15.1698148015, 15.3262046448, 15.4825944882, 15.6389843315, 15.7953741748, 15.9517640181, 16.1081538614, 16.2645437047, 16.420933548]" +11,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Mo,"[-10.91318841, -10.92655745, -10.93668548, -10.94373841, -10.94788603, -10.94925911, -10.94801312, -10.94427294, -10.93817515, -10.92983918, -10.91938007]",PBE,4.28735395252809,0.00229579629169986,22.0,1.0,0.5909512395903297,-0.5909512395903297,dB,FindHistory,4.2620177812,0.0171178978,"[14.8558800561, 15.0122577409, 15.1686354257, 15.3250131105, 15.4813907953, 15.6377684801, 15.7941461649, 15.9505238497, 16.1069015345, 16.2632792193, 16.419656904100002]" +12,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Mo,"[-10.91346136, -10.92682506, -10.9369504, -10.943996630000001, -10.94812538, -10.949486910000001, -10.94821962, -10.94446549, -10.938354499999999, -10.93000618, -10.91953444]",PBE,4.28735395252809,0.00229579629169986,26.0,1.0,0.2865671929108008,0.2865671929108008,dB,FindHistory,4.2996401024,0.0175101205,"[14.856266266, 15.0126480161, 15.1690297663, 15.3254115165, 15.4817932666, 15.6381750168, 15.794556767, 15.950938517099999, 16.1073202673, 16.2637020175, 16.4200837676]" +13,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Mo,"[-10.90943873, -10.92286624, -10.93306173, -10.94017105, -10.94439779, -10.945873689999999, -10.9446821, -10.94098904, -10.9349479, -10.92664799, -10.91624592]",PBE,4.28735395252809,0.00229579629169986,14.0,1.0,2.8645560662345377,-2.8645560662345377,dB,FindHistory,4.1645402948,0.049391782300000006,"[14.8581896121, 15.014591608, 15.170993604, 15.327395599900001, 15.4837975958, 15.6401995917, 15.7966015876, 15.9530035836, 16.1094055795, 16.2658075754, 16.4222095713]" +14,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Mo,"[-10.913388489999999, -10.92673136, -10.93683396, -10.94386094, -10.94797346, -10.94932624, -10.94805185, -10.94429445, -10.93817553, -10.92982354, -10.91935307]",PBE,4.28735395252809,0.00229579629169986,34.0,1.0,0.10349680294751094,0.10349680294751094,dB,FindHistory,4.2917912268,0.0147604873,"[14.8570510145, 15.0134410252, 15.1698310358, 15.3262210465, 15.4826110572, 15.6390010679, 15.7953910786, 15.9517810892, 16.1081710999, 16.2645611106, 16.4209511213]" +15,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Mo,"[-10.91343256, -10.9267853, -10.9368965, -10.9439371, -10.94805462, -10.94940992, -10.94814064, -10.94438395, -10.93826522, -10.92991472, -10.91944453]",PBE,4.28735395252809,0.00229579629169986,30.0,1.0,0.21533264046152187,0.21533264046152187,dB,FindHistory,4.296586025,0.0178832025,"[14.8563058293, 15.0126879959, 15.1690701625, 15.325452329099999, 15.4818344957, 15.6382166624, 15.794598829, 15.9509809956, 16.1073631622, 16.2637453289, 16.4201274955]" +16,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Mo,"[-10.91248945, -10.92589205, -10.93605011, -10.94313642, -10.94729935, -10.9487011, -10.94747276, -10.94375106, -10.93766953, -10.92935206, -10.91891204]",PBE,4.28735395252809,0.00229579629169986,18.0,1.0,0.16157487823007144,-0.16157487823007144,dB,FindHistory,4.2804266656,0.0190481361,"[14.854880906, 15.0112480734, 15.1676152408, 15.323982408300001, 15.4803495757, 15.6367167431, 15.7930839106, 15.949451078, 16.1058182454, 16.2621854129, 16.4185525803]" +17,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Mo,"[-10.91305296, -10.92642772, -10.93656773, -10.9436286, -10.94777253, -10.9491482, -10.94790585, -10.94416934, -10.93807526, -10.92974391, -10.91929239]",PBE,4.28735395252809,0.00229579629169986,20.0,1.0,0.021079644506080363,0.021079644506080363,dB,FindHistory,4.2882577115,0.0165316179,"[14.8553296239, 15.0117015147, 15.1680734055, 15.3244452963, 15.480817187, 15.6371890778, 15.7935609686, 15.9499328594, 16.1063047501, 16.2626766409, 16.4190485317]" +18,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Mo,"[-10.91346238, -10.92680356, -10.93691023, -10.94394246, -10.94805607, -10.94940511, -10.948134809999999, -10.94437097, -10.93825207, -10.92989447, -10.9194213]",PBE,4.28735395252809,0.00229579629169986,36.0,1.0,0.015209771232103719,-0.015209771232103719,dB,FindHistory,4.2867018558,0.0183111426,"[14.8569167096, 15.0133053065, 15.1696939035, 15.3260825004, 15.4824710974, 15.6388596943, 15.7952482912, 15.9516368882, 16.1080254851, 16.2644140821, 16.420802679]" +0,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Mo,"[-10.91299775, -10.92635852, -10.93647563, -10.94352242, -10.94765095, -10.94901945, -10.94776345, -10.94402107, -10.93792246, -10.92958796, -10.91913424]",PBE,15.6397395303327,6.49813338223701e-05,24.0,1.0,0.0005749471244417337,-0.0005749471244417337,v0,FindHistory,15.6396496101,7.02748e-05,"[14.8558071959, 15.0121841137, 15.1685610316, 15.3249379494, 15.4813148673, 15.6376917851, 15.794068703, 15.9504456208, 16.1068225387, 16.2631994565, 16.4195763744]" +1,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,15.6397395303327,6.49813338223701e-05,10.0,1.0,0.12312750688688755,0.12312750688688755,v0,FindHistory,15.6589963517,0.0024507628000000003,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +2,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Mo,"[-10.91300862, -10.92649362, -10.93673504, -10.9439024, -10.94814521, -10.94961099, -10.94843778, -10.94477344, -10.93873514, -10.93036977, -10.91997909]",PBE,15.6397395303327,6.49813338223701e-05,12.0,1.0,0.005058138377351878,0.005058138377351878,v0,FindHistory,15.64053061,0.00029018720000000003,"[14.8514335284, 15.0077644076, 15.1640952869, 15.3204261661, 15.4767570454, 15.6330879246, 15.7894188039, 15.9457496831, 16.1020805624, 16.2584114416, 16.4147423208]" +3,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692472, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,15.6397395303327,6.49813338223701e-05,8.0,1.0,0.16606032611304034,0.16606032611304034,v0,FindHistory,15.6657109328,0.0004597627,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +4,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Mo,"[-10.9133882, -10.92674059, -10.93685482, -10.94389123, -10.94801077, -10.94936586, -10.948091980000001, -10.94433297, -10.93821547, -10.92986144, -10.91938642]",PBE,15.6397395303327,6.49813338223701e-05,32.0,1.0,0.0009165905034613448,0.0009165905034613448,v0,FindHistory,15.6398828827,8.517380000000001e-05,"[14.856844986, 15.0132328279, 15.1696206699, 15.3260085119, 15.4823963538, 15.6387841958, 15.7951720377, 15.9515598797, 16.1079477217, 16.2643355636, 16.4207234056]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Mo,"[-10.91350359, -10.92684556, -10.93694866, -10.94397636, -10.9480905, -10.94943535, -10.94815658, -10.94439037, -10.938265789999999, -10.92990521, -10.91942314]",PBE,15.6397395303327,6.49813338223701e-05,40.0,1.0,0.00011546271128263854,0.00011546271128263854,v0,FindHistory,15.639757588399998,8.554770000000001e-05,"[14.8571222508, 15.0135130114, 15.1699037719, 15.3262945324, 15.482685293, 15.6390760535, 15.795466814000001, 15.9518575746, 16.1082483351, 16.2646390957, 16.4210298562]" +6,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Mo,"[-10.90246883, -10.91585765, -10.925967289999999, -10.93301175, -10.93712222, -10.93847906, -10.93790167, -10.93402849, -10.92783473, -10.91942244, -10.90888517]",PBE,15.6397395303327,6.49813338223701e-05,10.0,1.0,0.12312750688688755,0.12312750688688755,v0,FindHistory,15.6589963517,0.0024507628000000003,"[14.8666584328, 15.0231495742, 15.1796407156, 15.336131857, 15.4926229984, 15.6491141398, 15.8056052812, 15.9620964226, 16.118587564, 16.2750787054, 16.4315698468]" +7,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Mo,"[-10.91298585, -10.92639699, -10.936569949999999, -10.9436677, -10.94784154, -10.94925501, -10.94803548, -10.94432675, -10.93825829, -10.92995192, -10.91952775]",PBE,15.6397395303327,6.49813338223701e-05,16.0,1.0,0.004651523328039358,-0.004651523328039358,v0,FindHistory,15.639012044200001,0.0001059368,"[14.852913949, 15.0092604116, 15.1656068742, 15.3219533368, 15.4782997995, 15.6346462621, 15.7909927247, 15.9473391873, 16.1036856499, 16.2600321126, 16.4163785752]" +8,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Mo,"[-10.90330076, -10.91692473, -10.92732029, -10.93461547, -10.93900411, -10.94062241, -10.9395966, -10.93607354, -10.93000881, -10.92175638, -10.91137093]",PBE,15.6397395303327,6.49813338223701e-05,8.0,1.0,0.16606035808288488,0.16606035808288488,v0,FindHistory,15.6657109378,0.0004597492,"[14.867719798, 15.0242221117, 15.1807244253, 15.337226739, 15.493729052700001, 15.6502313663, 15.80673368, 15.9632359937, 16.1197383073, 16.276240621, 16.4327429346]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Mo,"[-10.91316853, -10.92652682, -10.93664429, -10.94368959, -10.94781809, -10.94917754, -10.94791198, -10.944159280000001, -10.9380509, -10.92970877, -10.91924956]",PBE,15.6397395303327,6.49813338223701e-05,28.0,1.0,0.002236964155457616,0.002236964155457616,v0,FindHistory,15.6400893857,0.00010752940000000001,"[14.8566463836, 15.013032135, 15.1694178864, 15.3258036378, 15.4821893892, 15.6385751407, 15.7949608921, 15.9513466435, 16.1077323949, 16.2641181463, 16.4205038977]" +10,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Mo,"[-10.91341402, -10.92675707, -10.93686071, -10.94388777, -10.94800259, -10.94934878, -10.94807407, -10.94431056, -10.9381889, -10.92983221, -10.91935583]",PBE,15.6397395303327,6.49813338223701e-05,38.0,1.0,0.00024963054676200555,0.00024963054676200555,v0,FindHistory,15.6397785719,8.006010000000001e-05,"[14.8570351149, 15.0134249582, 15.1698148015, 15.3262046448, 15.4825944882, 15.6389843315, 15.7953741748, 15.9517640181, 16.1081538614, 16.2645437047, 16.420933548]" +11,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Mo,"[-10.91318841, -10.92655745, -10.93668548, -10.94373841, -10.94788603, -10.94925911, -10.94801312, -10.94427294, -10.93817515, -10.92983918, -10.91938007]",PBE,15.6397395303327,6.49813338223701e-05,22.0,1.0,0.0031769868439085556,0.0031769868439085556,v0,FindHistory,15.6402364028,8.6125e-05,"[14.8558800561, 15.0122577409, 15.1686354257, 15.3250131105, 15.4813907953, 15.6377684801, 15.7941461649, 15.9505238497, 16.1069015345, 16.2632792193, 16.419656904100002]" +12,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Mo,"[-10.90943873, -10.92286624, -10.93306173, -10.94017105, -10.94439779, -10.945873689999999, -10.9446821, -10.94098904, -10.9349479, -10.92664799, -10.91624592]",PBE,15.6397395303327,6.49813338223701e-05,14.0,1.0,0.04566823669567634,0.04566823669567634,v0,FindHistory,15.646881923599999,0.00024841720000000003,"[14.8581896121, 15.014591608, 15.170993604, 15.327395599900001, 15.4837975958, 15.6401995917, 15.7966015876, 15.9530035836, 16.1094055795, 16.2658075754, 16.4222095713]" +13,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Mo,"[-10.91346136, -10.92682506, -10.9369504, -10.943996630000001, -10.94812538, -10.949486910000001, -10.94821962, -10.94446549, -10.938354499999999, -10.93000618, -10.91953444]",PBE,15.6397395303327,6.49813338223701e-05,26.0,1.0,0.0003181346633162462,-0.0003181346633162462,v0,FindHistory,15.6396897749,8.810940000000001e-05,"[14.856266266, 15.0126480161, 15.1690297663, 15.3254115165, 15.4817932666, 15.6381750168, 15.794556767, 15.950938517099999, 16.1073202673, 16.2637020175, 16.4200837676]" +14,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Mo,"[-10.913388489999999, -10.92673136, -10.93683396, -10.94386094, -10.94797346, -10.94932624, -10.94805185, -10.94429445, -10.93817553, -10.92982354, -10.91935307]",PBE,15.6397395303327,6.49813338223701e-05,34.0,1.0,0.0012945322197268783,0.0012945322197268783,v0,FindHistory,15.6399419918,7.42811e-05,"[14.8570510145, 15.0134410252, 15.1698310358, 15.3262210465, 15.4826110572, 15.6390010679, 15.7953910786, 15.9517810892, 16.1081710999, 16.2645611106, 16.4209511213]" +15,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Mo,"[-10.91343256, -10.9267853, -10.9368965, -10.9439371, -10.94805462, -10.94940992, -10.94814064, -10.94438395, -10.93826522, -10.92991472, -10.91944453]",PBE,15.6397395303327,6.49813338223701e-05,30.0,1.0,0.0022100210302606286,-0.0022100210302606286,v0,FindHistory,15.6393938888,8.998960000000001e-05,"[14.8563058293, 15.0126879959, 15.1690701625, 15.325452329099999, 15.4818344957, 15.6382166624, 15.794598829, 15.9509809956, 16.1073631622, 16.2637453289, 16.4201274955]" +16,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Mo,"[-10.91248945, -10.92589205, -10.93605011, -10.94313642, -10.94729935, -10.9487011, -10.94747276, -10.94375106, -10.93766953, -10.92935206, -10.91891204]",PBE,15.6397395303327,6.49813338223701e-05,18.0,1.0,0.004331348140337684,0.004331348140337684,v0,FindHistory,15.6404169419,9.58129e-05,"[14.854880906, 15.0112480734, 15.1676152408, 15.323982408300001, 15.4803495757, 15.6367167431, 15.7930839106, 15.949451078, 16.1058182454, 16.2621854129, 16.4185525803]" +17,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Mo,"[-10.91305296, -10.92642772, -10.93656773, -10.9436286, -10.94777253, -10.9491482, -10.94790585, -10.94416934, -10.93807526, -10.92974391, -10.91929239]",PBE,15.6397395303327,6.49813338223701e-05,20.0,1.0,0.0002371175506441424,0.0002371175506441424,v0,FindHistory,15.6397766149,8.31701e-05,"[14.8553296239, 15.0117015147, 15.1680734055, 15.3244452963, 15.480817187, 15.6371890778, 15.7935609686, 15.9499328594, 16.1063047501, 16.2626766409, 16.4190485317]" +18,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Mo,"[-10.91346238, -10.92680356, -10.93691023, -10.94394246, -10.94805607, -10.94940511, -10.948134809999999, -10.94437097, -10.93825207, -10.92989447, -10.9194213]",PBE,15.6397395303327,6.49813338223701e-05,36.0,1.0,0.00033844660391609184,0.00033844660391609184,v0,FindHistory,15.6397924625,9.21552e-05,"[14.8569167096, 15.0133053065, 15.1696939035, 15.3260825004, 15.4824710974, 15.6388596943, 15.7952482912, 15.9516368882, 16.1080254851, 16.2644140821, 16.420802679]" +0,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Nb,"[-10.17987253, -10.18933026, -10.19627148, -10.20082549, -10.20313566, -10.20334619, -10.2014898, -10.19771056, -10.1920589, -10.1846851, -10.1756555]",PBE,173.24154150053695,0.008436649079148841,4.0,1.0,4.1841691557798715,4.1841691557798715,B,FindHistory,180.490260645,0.08376732890000001,"[17.433564274, 17.6170754769, 17.8005866798, 17.9840978827, 18.1676090856, 18.3511202884, 18.5346314913, 18.7181426942, 18.9016538971, 19.0851651, 19.2686763029]" +1,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Nb,"[-10.06590121, -10.07593301, -10.08355186, -10.08886993, -10.09199931, -10.09304158, -10.09209503, -10.08925951, -10.08462257, -10.07826875, -10.07027809]",PBE,173.24154150053695,0.008436649079148841,28.0,1.0,0.019321081637306566,0.019321081637306566,B,FindHistory,173.2750136402,0.0193205049,"[17.4182901333, 17.6016405558, 17.7849909782, 17.9683414007, 18.1516918231, 18.3350422456, 18.518392668, 18.7017430905, 18.8850935129, 19.0684439354, 19.2517943579]" +2,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Nb,"[-10.0659115, -10.07594038, -10.08355547, -10.08887229, -10.09200115, -10.09304528, -10.09210201, -10.08926934, -10.08463476, -10.07828207, -10.07029246]",PBE,173.24154150053695,0.008436649079148841,50.0,1.0,0.011399592595329402,-0.011399592595329402,B,FindHistory,173.22179267060002,0.014193371100000001,"[17.4178491642, 17.6011949449, 17.7845407256, 17.9678865063, 18.1512322869, 18.3345780676, 18.5179238483, 18.701269629, 18.8846154096, 19.0679611903, 19.251306970999998]" +3,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Nb,"[-10.06590452, -10.07593399, -10.08355031, -10.08886972, -10.09199899, -10.09304388, -10.09210415, -10.08927076, -10.08463466, -10.07828208, -10.07029211]",PBE,173.24154150053695,0.008436649079148841,64.0,1.0,0.0028923195439428213,0.0028923195439428213,B,FindHistory,173.2465521995,0.0161374954,"[17.4177449085, 17.6010895917, 17.784434275, 17.9677789582, 18.1511236415, 18.3344683247, 18.5178130079, 18.7011576912, 18.8845023744, 19.0678470577, 19.2511917409]" +4,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Nb,"[-10.06592742, -10.0759506, -10.08355689, -10.08886939, -10.09199313, -10.09303098, -10.09208461, -10.08924518, -10.08460484, -10.07824684, -10.07025638]",PBE,173.24154150053695,0.008436649079148841,34.0,1.0,0.01522319912910695,-0.01522319912910695,B,FindHistory,173.2151685957,0.0196764142,"[17.418039596, 17.6013873813, 17.7847351665, 17.9680829517, 18.1514307369, 18.3347785221, 18.5181263074, 18.7014740926, 18.8848218778, 19.068169663, 19.2515174482]" +5,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Nb,"[-10.06590597, -10.07593805, -10.08355531, -10.08887235, -10.0919997, -10.093043399999999, -10.09210061, -10.08926858, -10.08463378, -10.07828326, -10.07029579]",PBE,173.24154150053695,0.008436649079148841,60.0,1.0,0.015124193314140333,-0.015124193314140333,B,FindHistory,173.21534011490002,0.0118044419,"[17.4177562908, 17.6011010938, 17.7844458969, 17.9677906999, 18.151135503, 18.3344803061, 18.5178251091, 18.7011699122, 18.8845147152, 19.0678595183, 19.2512043214]" +6,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Nb,"[-10.06729018, -10.07725265, -10.08479134, -10.09005445, -10.09311747, -10.09409447, -10.09308701, -10.09018613, -10.08548716, -10.07907582, -10.07102895]",PBE,173.24154150053695,0.008436649079148841,16.0,1.0,0.08192273552507567,0.08192273552507567,B,FindHistory,173.3834657104,0.0377432327,"[17.4175272809, 17.6008696733, 17.7842120658, 17.9675544582, 18.1508968506, 18.3342392431, 18.5175816355, 18.7009240279, 18.8842664204, 19.0676088128, 19.2509512052]" +7,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Nb,"[-10.06590481, -10.07593647, -10.08355378, -10.08887165, -10.09199953, -10.09304523, -10.09210397, -10.08926979, -10.08463316, -10.07827984, -10.07029123]",PBE,173.24154150053695,0.008436649079148841,56.0,1.0,0.005841059352994902,0.005841059352994902,B,FindHistory,173.25166064180004,0.0155924295,"[17.417795257, 17.6011404702, 17.7844856834, 17.9678308967, 18.1511761099, 18.3345213231, 18.5178665364, 18.7012117496, 18.8845569628, 19.0679021761, 19.2512473893]" +8,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Nb,"[-10.07371011, -10.08356819, -10.09101957, -10.09617347, -10.0991417, -10.10003229, -10.09887813, -10.09593866, -10.09120728, -10.08475683, -10.07670084]",PBE,173.24154150053695,0.008436649079148841,12.0,1.0,0.2260691750631549,-0.2260691750631549,B,FindHistory,172.8498957768,0.1156924736,"[17.4043632319, 17.5875670554, 17.7707708789, 17.9539747024, 18.1371785259, 18.3203823494, 18.5035861729, 18.6867899964, 18.8699938199, 19.0531976434, 19.2364014669]" +9,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Nb,"[-10.06592547, -10.07595229, -10.08356477, -10.08887553, -10.09199972, -10.09304237, -10.09209984, -10.08926618, -10.08462739, -10.07826978, -10.07027379]",PBE,173.24154150053695,0.008436649079148841,36.0,1.0,0.0038530014678534834,-0.0038530014678534834,B,FindHistory,173.2348665014,0.006546796800000001,"[17.4181773326, 17.6015265677, 17.7848758028, 17.9682250378, 18.1515742729, 18.334923508, 18.5182727431, 18.7016219782, 18.8849712132, 19.0683204483, 19.2516696834]" +10,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Nb,"[-10.06591334, -10.07594331, -10.08355842, -10.08887198, -10.09199783, -10.09303972, -10.09209703, -10.0892632, -10.08462646, -10.07827149, -10.0702837]",PBE,173.24154150053695,0.008436649079148841,48.0,1.0,0.012823313187206678,-0.012823313187206678,B,FindHistory,173.2193261951,0.0117869851,"[17.4178390156, 17.6011846894, 17.7845303633, 17.9678760371, 18.151221711, 18.3345673848, 18.5179130587, 18.7012587325, 18.8846044064, 19.0679500802, 19.2512957541]" +11,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Nb,"[-10.06590399, -10.07593449, -10.08355215, -10.0888725, -10.09200122, -10.09304431, -10.09210211, -10.08926706, -10.08463016, -10.07827758, -10.07028805]",PBE,173.24154150053695,0.008436649079148841,58.0,1.0,0.012943902004583773,0.012943902004583773,B,FindHistory,173.2639657159,0.0194074006,"[17.4177457483, 17.6010904404, 17.7844351325, 17.9677798246, 18.1511245167, 18.3344692087, 18.5178139008, 18.7011585929, 18.884503285, 19.0678479771, 19.2511926692]" +12,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Nb,"[-10.06591698, -10.07594113, -10.08355224, -10.08886668, -10.09199249, -10.09303673, -10.09209109, -10.08925611, -10.08461829, -10.07826423, -10.07027374]",PBE,173.24154150053695,0.008436649079148841,38.0,1.0,0.01756736483257381,-0.01756736483257381,B,FindHistory,173.21110752689998,0.0180081669,"[17.4179377666, 17.6012844799, 17.7846311932, 17.9679779066, 18.1513246199, 18.3346713332, 18.5180180466, 18.7013647599, 18.8847114732, 19.0680581866, 19.2514048999]" +13,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Nb,"[-10.06590719, -10.07594055, -10.08356062, -10.08887927, -10.09200871, -10.09305239, -10.09210762, -10.08927093, -10.08463148, -10.07827634, -10.07028521]",PBE,173.24154150053695,0.008436649079148841,40.0,1.0,0.04074347985574569,0.04074347985574569,B,FindHistory,173.3121261331,0.0198746466,"[17.4179157618, 17.6012622435, 17.784608725200002, 17.9679552069, 18.1513016886, 18.3346481703, 18.517994652, 18.7013411337, 18.8846876154, 19.0680340971, 19.2513805788]" +14,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Nb,"[-10.06590739, -10.07593566, -10.08355189, -10.08886968, -10.09199884, -10.09304243, -10.09210026, -10.08926696, -10.08463197, -10.07827939, -10.07029029]",PBE,173.24154150053695,0.008436649079148841,52.0,1.0,0.00722799331413769,-0.00722799331413769,B,FindHistory,173.2290196135,0.0163486693,"[17.4178113392, 17.6011567217, 17.7845021042, 17.9678474867, 18.1511928692, 18.3345382518, 18.5178836343, 18.7012290168, 18.8845743993, 19.0679197818, 19.2512651643]" +15,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Nb,"[-10.06595884, -10.07542782, -10.08254474, -10.08743494, -10.09020513, -10.09097902, -10.08985222, -10.08689918, -10.08220105, -10.07582481, -10.06786275]",PBE,173.24154150053695,0.008436649079148841,10.0,1.0,3.107432809999712,-3.107432809999712,B,FindHistory,167.8581769994,0.07525992620000001,"[17.4294521283, 17.6129200455, 17.7963879626, 17.9798558797, 18.1633237969, 18.346791714, 18.5302596312, 18.7137275483, 18.8971954654, 19.0806633826, 19.2641312997]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Nb,"[-10.06591591, -10.07594126, -10.08355414, -10.08886848, -10.09199504, -10.0930375, -10.09209317, -10.08925763, -10.08462116, -10.07826982, -10.07028365]",PBE,173.24154150053695,0.008436649079148841,42.0,1.0,0.03182092069804102,-0.03182092069804102,B,FindHistory,173.186414447,0.019712811,"[17.4179024881, 17.60124883, 17.784595172, 17.967941514, 18.151287856, 18.334634198, 18.5179805399, 18.701326881900002, 18.8846732239, 19.0680195659, 19.2513659079]" +17,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Nb,"[-10.13561719, -10.1463022, -10.15416816, -10.15977972, -10.1632448, -10.1646367, -10.16409324, -10.16169546, -10.15753374, -10.15169004, -10.14423366]",PBE,173.24154150053695,0.008436649079148841,6.0,1.0,0.7973431968871508,-0.7973431968871508,B,FindHistory,171.8602118552,0.44945945,"[17.1890321841, 17.369969365, 17.5509065459, 17.7318437268, 17.9127809077, 18.0937180885, 18.2746552694, 18.4555924503, 18.6365296312, 18.8174668121, 18.998403993]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Nb,"[-10.06591588, -10.07594564, -10.08356259, -10.08887917, -10.09200806, -10.09305274, -10.09211035, -10.08927347, -10.08463437, -10.07827732, -10.07028394]",PBE,173.24154150053695,0.008436649079148841,44.0,1.0,0.032217979521320154,0.032217979521320154,B,FindHistory,173.29735642490002,0.017262551299999998,"[17.417894916, 17.6012411783, 17.7845874406, 17.9679337029, 18.1512799651, 18.3346262274, 18.5179724897, 18.701318752, 18.8846650142, 19.0680112765, 19.2513575388]" +19,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Nb,"[-10.10102164, -10.11088258, -10.11833619, -10.12350476, -10.1264908, -10.12738622, -10.12630673, -10.12305326, -10.11821633, -10.11167484, -10.10350404]",PBE,173.24154150053695,0.008436649079148841,8.0,1.0,1.446116483127263,1.446116483127263,B,FindHistory,175.74681598779998,0.42507192590000004,"[17.3465599667, 17.5291553348, 17.7117507029, 17.8943460709, 18.076941439, 18.2595368071, 18.4421321752, 18.6247275432, 18.8073229113, 18.9899182794, 19.1725136474]" +20,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Nb,"[-10.06592907, -10.07595573, -10.08356703, -10.08887562, -10.09199126, -10.09301972, -10.09206166, -10.08921585, -10.08456884, -10.07820706, -10.07021675]",PBE,173.24154150053695,0.008436649079148841,20.0,1.0,0.01578125167106355,0.01578125167106355,B,FindHistory,173.26888118419998,0.0217590132,"[17.4188241315, 17.602180175, 17.7855362185, 17.968892262, 18.1522483055, 18.335604349, 18.5189603925, 18.702316436, 18.8856724795, 19.0690285229, 19.2523845664]" +21,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Nb,"[-10.065903, -10.07593444, -10.08355117, -10.08886935, -10.09200024, -10.09304438, -10.09210235, -10.08927055, -10.08463548, -10.07828138, -10.07029369]",PBE,173.24154150053695,0.008436649079148841,62.0,1.0,0.0016411919095214835,0.0016411919095214835,B,FindHistory,173.2443847267,0.015796818100000002,"[17.4177313515, 17.6010758921, 17.7844204326, 17.9677649732, 18.1511095137, 18.3344540543, 18.5177985948, 18.7011431353, 18.8844876759, 19.0678322164, 19.251176757]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Nb,"[-10.0659246, -10.07594585, -10.08355456, -10.08886681, -10.0919916, -10.09303316, -10.09208666, -10.08924841, -10.08460863, -10.07825462, -10.07026244]",PBE,173.24154150053695,0.008436649079148841,32.0,1.0,0.021773778627355637,-0.021773778627355637,B,FindHistory,173.2038202708,0.0203387561,"[17.4182307373, 17.601580534500002, 17.7849303317, 17.968280129, 18.1516299262, 18.3349797234, 18.5183295207, 18.701679317900002, 18.8850291151, 19.0683789124, 19.2517287096]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Nb,"[-10.06706136, -10.07707429, -10.08485425, -10.0902642, -10.09344394, -10.09452276, -10.09361221, -10.09079929, -10.08620251, -10.07990806, -10.07197769]",PBE,173.24154150053695,0.008436649079148841,14.0,1.0,0.17269454027693606,0.17269454027693606,B,FindHistory,173.54072018419998,0.2416578613,"[17.4186794985, 17.6020340195, 17.7853885405, 17.9687430616, 18.1520975826, 18.3354521036, 18.5188066247, 18.7021611457, 18.8855156668, 19.0688701878, 19.2522247088]" +24,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Nb,"[-10.06648634, -10.07651236, -10.08410683, -10.08940215, -10.09251489, -10.09353565, -10.09260123, -10.08974286, -10.08508991, -10.07874129, -10.07070995]",PBE,173.24154150053695,0.008436649079148841,18.0,1.0,0.015140486938544246,0.015140486938544246,B,FindHistory,173.26777111349998,0.0545218311,"[17.418209119, 17.6015586887, 17.7849082584, 17.968257828, 18.1516073977, 18.3349569674, 18.5183065371, 18.7016561067, 18.8850056764, 19.0683552461, 19.2517048157]" +25,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Nb,"[-10.06591084, -10.07594184, -10.08355706, -10.08887424, -10.0920013, -10.09304461, -10.09210015, -10.08926399, -10.08462643, -10.07827264, -10.07028441]",PBE,173.24154150053695,0.008436649079148841,46.0,1.0,0.004095509888436932,0.004095509888436932,B,FindHistory,173.248636625,0.0182557566,"[17.4178835608, 17.6012297036, 17.7845758463, 17.9679219891, 18.1512681318, 18.3346142746, 18.5179604173, 18.70130656, 18.8846527028, 19.0679988455, 19.2513449883]" +26,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Nb,"[-10.06593043, -10.07595702, -10.08356683, -10.08887705, -10.09199514, -10.0930286, -10.09207644, -10.08923212, -10.0845879, -10.0782256, -10.07023084]",PBE,173.24154150053695,0.008436649079148841,30.0,1.0,0.024102456201552998,0.024102456201552998,B,FindHistory,173.28329696720002,0.015512731399999997,"[17.4180666096, 17.6014146791, 17.7847627487, 17.9681108183, 18.1514588879, 18.3348069574, 18.518155027, 18.7015030966, 18.8848511662, 19.0681992357, 19.2515473053]" +27,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Nb,"[-10.0658585, -10.07587724, -10.08349121, -10.08880619, -10.09193617, -10.09298113, -10.09203494, -10.08920268, -10.08456584, -10.0782153, -10.07022998]",PBE,173.24154150053695,0.008436649079148841,24.0,1.0,0.0418288381696982,-0.0418288381696982,B,FindHistory,173.1690765765,0.0288801212,"[17.4184770278, 17.6018294175, 17.7851818073, 17.9685341971, 18.1518865868, 18.3352389766, 18.5185913664, 18.7019437561, 18.8852961459, 19.0686485357, 19.2520009254]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Nb,"[-10.06590887, -10.0759387, -10.08355571, -10.08887419, -10.09200509, -10.09304863, -10.09210598, -10.08927105, -10.08463328, -10.07827884, -10.07028906]",PBE,173.24154150053695,0.008436649079148841,54.0,1.0,0.01810507652572559,0.01810507652572559,B,FindHistory,173.27290701419997,0.020444943,"[17.4177876619, 17.6011327952, 17.7844779284, 17.9678230617, 18.151168195, 18.3345133283, 18.5178584616, 18.7012035949, 18.8845487281, 19.0678938614, 19.2512389947]" +29,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Nb,"[-10.06594777, -10.07597001, -10.08357533, -10.08887962, -10.09199225, -10.09302361, -10.09206889, -10.08922341, -10.08457572, -10.07821175, -10.07021718]",PBE,173.24154150053695,0.008436649079148841,26.0,1.0,0.0020157929978872036,0.0020157929978872036,B,FindHistory,173.24503369139995,0.0141894279,"[17.4181565808, 17.6015055975, 17.7848546141, 17.9682036307, 18.1515526474, 18.334901664, 18.5182506807, 18.7015996973, 18.884948713900002, 19.0682977306, 19.2516467472]" +30,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Nb,"[-10.06613633, -10.07615106, -10.08375935, -10.08904781, -10.09215747, -10.09317865, -10.09221376, -10.08935028, -10.08468725, -10.07830483, -10.0702915]",PBE,173.24154150053695,0.008436649079148841,22.0,1.0,0.11951576623580923,0.11951576623580923,B,FindHistory,173.44859245630005,0.0256870078,"[17.4185009749, 17.6018536167, 17.7852062585, 17.9685589004, 18.1519115422, 18.3352641841, 18.5186168259, 18.7019694678, 18.8853221096, 19.0686747514, 19.2520273933]" +0,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Nb,"[-10.06590597, -10.07593805, -10.08355531, -10.08887235, -10.0919997, -10.093043399999999, -10.09210061, -10.08926858, -10.08463378, -10.07828326, -10.07029579]",PBE,-10.0930429107887,8.85819887979838e-07,60.0,1.0,-1.2582812837697177e-05,-1.2582812837697177e-05,E0,FindHistory,-10.093041640800001,8.884999999999998e-07,"[17.4177562908, 17.6011010938, 17.7844458969, 17.9677906999, 18.151135503, 18.3344803061, 18.5178251091, 18.7011699122, 18.8845147152, 19.0678595183, 19.2512043214]" +1,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Nb,"[-10.17987253, -10.18933026, -10.19627148, -10.20082549, -10.20313566, -10.20334619, -10.2014898, -10.19771056, -10.1920589, -10.1846851, -10.1756555]",PBE,-10.0930429107887,8.85819887979838e-07,4.0,1.0,-1.0945205374408533,1.0945205374408533,E0,FindHistory,-10.2035133383,6.1725000000000015e-06,"[17.433564274, 17.6170754769, 17.8005866798, 17.9840978827, 18.1676090856, 18.3511202884, 18.5346314913, 18.7181426942, 18.9016538971, 19.0851651, 19.2686763029]" +2,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Nb,"[-10.06590121, -10.07593301, -10.08355186, -10.08886993, -10.09199931, -10.09304158, -10.09209503, -10.08925951, -10.08462257, -10.07826875, -10.07027809]",PBE,-10.0930429107887,8.85819887979838e-07,28.0,1.0,-4.6886640048989406e-05,-4.6886640048989406e-05,E0,FindHistory,-10.0930381785,1.4544e-06,"[17.4182901333, 17.6016405558, 17.7849909782, 17.9683414007, 18.1516918231, 18.3350422456, 18.518392668, 18.7017430905, 18.8850935129, 19.0684439354, 19.2517943579]" +3,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Nb,"[-10.0659115, -10.07594038, -10.08355547, -10.08887229, -10.09200115, -10.09304528, -10.09210201, -10.08926934, -10.08463476, -10.07828207, -10.07029246]",PBE,-10.0930429107887,8.85819887979838e-07,50.0,1.0,-1.35924022838525e-06,-1.35924022838525e-06,E0,FindHistory,-10.0930427736,1.0683e-06,"[17.4178491642, 17.6011949449, 17.7845407256, 17.9678865063, 18.1512322869, 18.3345780676, 18.5179238483, 18.701269629, 18.8846154096, 19.0679611903, 19.251306970999998]" +4,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Nb,"[-10.06590452, -10.07593399, -10.08355031, -10.08886972, -10.09199899, -10.09304388, -10.09210415, -10.08927076, -10.08463466, -10.07828208, -10.07029211]",PBE,-10.0930429107887,8.85819887979838e-07,64.0,1.0,-6.0595075745696575e-06,-6.0595075745696575e-06,E0,FindHistory,-10.0930422992,1.2146e-06,"[17.4177449085, 17.6010895917, 17.784434275, 17.9677789582, 18.1511236415, 18.3344683247, 18.5178130079, 18.7011576912, 18.8845023744, 19.0678470577, 19.2511917409]" +5,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Nb,"[-10.06592742, -10.0759506, -10.08355689, -10.08886939, -10.09199313, -10.09303098, -10.09208461, -10.08924518, -10.08460484, -10.07824684, -10.07025638]",PBE,-10.0930429107887,8.85819887979838e-07,34.0,1.0,-0.0001415161792691704,-0.0001415161792691704,E0,FindHistory,-10.0930286275,1.4817e-06,"[17.418039596, 17.6013873813, 17.7847351665, 17.9680829517, 18.1514307369, 18.3347785221, 18.5181263074, 18.7014740926, 18.8848218778, 19.068169663, 19.2515174482]" +6,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Nb,"[-10.07371011, -10.08356819, -10.09101957, -10.09617347, -10.0991417, -10.10003229, -10.09887813, -10.09593866, -10.09120728, -10.08475683, -10.07670084]",PBE,-10.0930429107887,8.85819887979838e-07,12.0,1.0,-0.06902242834866269,0.06902242834866269,E0,FindHistory,-10.100009374099999,8.7867e-06,"[17.4043632319, 17.5875670554, 17.7707708789, 17.9539747024, 18.1371785259, 18.3203823494, 18.5035861729, 18.6867899964, 18.8699938199, 19.0531976434, 19.2364014669]" +7,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Nb,"[-10.06729018, -10.07725265, -10.08479134, -10.09005445, -10.09311747, -10.09409447, -10.09308701, -10.09018613, -10.08548716, -10.07907582, -10.07102895]",PBE,-10.0930429107887,8.85819887979838e-07,16.0,1.0,-0.010376205873267172,0.010376205873267172,E0,FindHistory,-10.0940901857,2.855e-06,"[17.4175272809, 17.6008696733, 17.7842120658, 17.9675544582, 18.1508968506, 18.3342392431, 18.5175816355, 18.7009240279, 18.8842664204, 19.0676088128, 19.2509512052]" +8,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Nb,"[-10.06590481, -10.07593647, -10.08355378, -10.08887165, -10.09199953, -10.09304523, -10.09210397, -10.08926979, -10.08463316, -10.07827984, -10.07029123]",PBE,-10.0930429107887,8.85819887979838e-07,56.0,1.0,-6.33221318177279e-07,6.33221318177279e-07,E0,FindHistory,-10.0930429747,1.1736e-06,"[17.417795257, 17.6011404702, 17.7844856834, 17.9678308967, 18.1511761099, 18.3345213231, 18.5178665364, 18.7012117496, 18.8845569628, 19.0679021761, 19.2512473893]" +9,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Nb,"[-10.06592547, -10.07595229, -10.08356477, -10.08887553, -10.09199972, -10.09304237, -10.09209984, -10.08926618, -10.08462739, -10.07826978, -10.07027379]",PBE,-10.0930429107887,8.85819887979838e-07,36.0,1.0,-7.69132466751427e-06,-7.69132466751427e-06,E0,FindHistory,-10.093042134500001,4.929e-07,"[17.4181773326, 17.6015265677, 17.7848758028, 17.9682250378, 18.1515742729, 18.334923508, 18.5182727431, 18.7016219782, 18.8849712132, 19.0683204483, 19.2516696834]" +10,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Nb,"[-10.06591334, -10.07594331, -10.08355842, -10.08887198, -10.09199783, -10.09303972, -10.09209703, -10.0892632, -10.08462646, -10.07827149, -10.0702837]",PBE,-10.0930429107887,8.85819887979838e-07,48.0,1.0,-4.143734191181397e-05,-4.143734191181397e-05,E0,FindHistory,-10.0930387285,8.873000000000002e-07,"[17.4178390156, 17.6011846894, 17.7845303633, 17.9678760371, 18.151221711, 18.3345673848, 18.5179130587, 18.7012587325, 18.8846044064, 19.0679500802, 19.2512957541]" +11,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Nb,"[-10.06590399, -10.07593449, -10.08355215, -10.0888725, -10.09200122, -10.09304431, -10.09210211, -10.08926706, -10.08463016, -10.07827758, -10.07028805]",PBE,-10.0930429107887,8.85819887979838e-07,58.0,1.0,-7.2395283277290945e-06,-7.2395283277290945e-06,E0,FindHistory,-10.0930421801,1.4608e-06,"[17.4177457483, 17.6010904404, 17.7844351325, 17.9677798246, 18.1511245167, 18.3344692087, 18.5178139008, 18.7011585929, 18.884503285, 19.0678479771, 19.2511926692]" +12,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Nb,"[-10.06591698, -10.07594113, -10.08355224, -10.08886668, -10.09199249, -10.09303673, -10.09209109, -10.08925611, -10.08461829, -10.07826423, -10.07027374]",PBE,-10.0930429107887,8.85819887979838e-07,38.0,1.0,-9.937527054822846e-05,-9.937527054822846e-05,E0,FindHistory,-10.093032880800001,1.3557e-06,"[17.4179377666, 17.6012844799, 17.7846311932, 17.9679779066, 18.1513246199, 18.3346713332, 18.5180180466, 18.7013647599, 18.8847114732, 19.0680581866, 19.2514048999]" +13,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Nb,"[-10.06590739, -10.07593566, -10.08355189, -10.08886968, -10.09199884, -10.09304243, -10.09210026, -10.08926696, -10.08463197, -10.07827939, -10.07029029]",PBE,-10.0930429107887,8.85819887979838e-07,52.0,1.0,-2.5837487509715997e-05,-2.5837487509715997e-05,E0,FindHistory,-10.093040302999999,1.2305e-06,"[17.4178113392, 17.6011567217, 17.7845021042, 17.9678474867, 18.1511928692, 18.3345382518, 18.5178836343, 18.7012290168, 18.8845743993, 19.0679197818, 19.2512651643]" +14,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Nb,"[-10.06590719, -10.07594055, -10.08356062, -10.08887927, -10.09200871, -10.09305239, -10.09210762, -10.08927093, -10.08463148, -10.07827634, -10.07028521]",PBE,-10.0930429107887,8.85819887979838e-07,40.0,1.0,-6.161284912323888e-05,6.161284912323888e-05,E0,FindHistory,-10.0930491294,1.4961000000000004e-06,"[17.4179157618, 17.6012622435, 17.784608725200002, 17.9679552069, 18.1513016886, 18.3346481703, 18.517994652, 18.7013411337, 18.8846876154, 19.0680340971, 19.2513805788]" +15,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Nb,"[-10.06595884, -10.07542782, -10.08254474, -10.08743494, -10.09020513, -10.09097902, -10.08985222, -10.08689918, -10.08220105, -10.07582481, -10.06786275]",PBE,-10.0930429107887,8.85819887979838e-07,10.0,1.0,-0.020197678804283924,-0.020197678804283924,E0,FindHistory,-10.0910043504,5.7437000000000014e-06,"[17.4294521283, 17.6129200455, 17.7963879626, 17.9798558797, 18.1633237969, 18.346791714, 18.5302596312, 18.7137275483, 18.8971954654, 19.0806633826, 19.2641312997]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Nb,"[-10.06591591, -10.07594126, -10.08355414, -10.08886848, -10.09199504, -10.0930375, -10.09209317, -10.08925763, -10.08462116, -10.07826982, -10.07028365]",PBE,-10.0930429107887,8.85819887979838e-07,42.0,1.0,-8.593928288543782e-05,-8.593928288543782e-05,E0,FindHistory,-10.093034236900001,1.4840000000000001e-06,"[17.4179024881, 17.60124883, 17.784595172, 17.967941514, 18.151287856, 18.334634198, 18.5179805399, 18.701326881900002, 18.8846732239, 19.0680195659, 19.2513659079]" +17,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Nb,"[-10.13561719, -10.1463022, -10.15416816, -10.15977972, -10.1632448, -10.1646367, -10.16409324, -10.16169546, -10.15753374, -10.15169004, -10.14423366]",PBE,-10.0930429107887,8.85819887979838e-07,6.0,1.0,-0.7100450354243115,0.7100450354243115,E0,FindHistory,-10.1647080609,3.17655e-05,"[17.1890321841, 17.369969365, 17.5509065459, 17.7318437268, 17.9127809077, 18.0937180885, 18.2746552694, 18.4555924503, 18.6365296312, 18.8174668121, 18.998403993]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Nb,"[-10.06591588, -10.07594564, -10.08356259, -10.08887917, -10.09200806, -10.09305274, -10.09211035, -10.08927347, -10.08463437, -10.07827732, -10.07028394]",PBE,-10.0930429107887,8.85819887979838e-07,44.0,1.0,-7.187833603183313e-05,7.187833603183313e-05,E0,FindHistory,-10.0930501655,1.2994999999999998e-06,"[17.417894916, 17.6012411783, 17.7845874406, 17.9679337029, 18.1512799651, 18.3346262274, 18.5179724897, 18.701318752, 18.8846650142, 19.0680112765, 19.2513575388]" +19,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Nb,"[-10.10102164, -10.11088258, -10.11833619, -10.12350476, -10.1264908, -10.12738622, -10.12630673, -10.12305326, -10.11821633, -10.11167484, -10.10350404]",PBE,-10.0930429107887,8.85819887979838e-07,8.0,1.0,-0.3398047993498582,0.3398047993498582,E0,FindHistory,-10.127339555,3.2242399999999995e-05,"[17.3465599667, 17.5291553348, 17.7117507029, 17.8943460709, 18.076941439, 18.2595368071, 18.4421321752, 18.6247275432, 18.8073229113, 18.9899182794, 19.1725136474]" +20,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Nb,"[-10.06592907, -10.07595573, -10.08356703, -10.08887562, -10.09199126, -10.09301972, -10.09206166, -10.08921585, -10.08456884, -10.07820706, -10.07021675]",PBE,-10.0930429107887,8.85819887979838e-07,20.0,1.0,-0.0002569778899191961,-0.0002569778899191961,E0,FindHistory,-10.0930169739,1.6395e-06,"[17.4188241315, 17.602180175, 17.7855362185, 17.968892262, 18.1522483055, 18.335604349, 18.5189603925, 18.702316436, 18.8856724795, 19.0690285229, 19.2523845664]" +21,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Nb,"[-10.065903, -10.07593444, -10.08355117, -10.08886935, -10.09200024, -10.09304438, -10.09210235, -10.08927055, -10.08463548, -10.07828138, -10.07029369]",PBE,-10.0930429107887,8.85819887979838e-07,62.0,1.0,-6.015913185811493e-06,-6.015913185811493e-06,E0,FindHistory,-10.0930423036,1.1889e-06,"[17.4177313515, 17.6010758921, 17.7844204326, 17.9677649732, 18.1511095137, 18.3344540543, 18.5177985948, 18.7011431353, 18.8844876759, 19.0678322164, 19.251176757]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Nb,"[-10.0659246, -10.07594585, -10.08355456, -10.08886681, -10.0919916, -10.09303316, -10.09208666, -10.08924841, -10.08460863, -10.07825462, -10.07026244]",PBE,-10.0930429107887,8.85819887979838e-07,32.0,1.0,-0.00013485317382330402,-0.00013485317382330402,E0,FindHistory,-10.0930293,1.5314e-06,"[17.4182307373, 17.601580534500002, 17.7849303317, 17.968280129, 18.1516299262, 18.3349797234, 18.5183295207, 18.701679317900002, 18.8850291151, 19.0683789124, 19.2517287096]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Nb,"[-10.06706136, -10.07707429, -10.08485425, -10.0902642, -10.09344394, -10.09452276, -10.09361221, -10.09079929, -10.08620251, -10.07990806, -10.07197769]",PBE,-10.0930429107887,8.85819887979838e-07,14.0,1.0,-0.014552543016836799,0.014552543016836799,E0,FindHistory,-10.0945117052,1.8109000000000002e-05,"[17.4186794985, 17.6020340195, 17.7853885405, 17.9687430616, 18.1520975826, 18.3354521036, 18.5188066247, 18.7021611457, 18.8855156668, 19.0688701878, 19.2522247088]" +24,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Nb,"[-10.06648634, -10.07651236, -10.08410683, -10.08940215, -10.09251489, -10.09353565, -10.09260123, -10.08974286, -10.08508991, -10.07874129, -10.07070995]",PBE,-10.0930429107887,8.85819887979838e-07,18.0,1.0,-0.00498201697688995,0.00498201697688995,E0,FindHistory,-10.0935457479,4.1089e-06,"[17.418209119, 17.6015586887, 17.7849082584, 17.968257828, 18.1516073977, 18.3349569674, 18.5183065371, 18.7016561067, 18.8850056764, 19.0683552461, 19.2517048157]" +25,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Nb,"[-10.06591084, -10.07594184, -10.08355706, -10.08887424, -10.0920013, -10.09304461, -10.09210015, -10.08926399, -10.08462643, -10.07827264, -10.07028441]",PBE,-10.0930429107887,8.85819887979838e-07,46.0,1.0,-1.397486082767151e-05,-1.397486082767151e-05,E0,FindHistory,-10.0930415003,1.3742e-06,"[17.4178835608, 17.6012297036, 17.7845758463, 17.9679219891, 18.1512681318, 18.3346142746, 18.5179604173, 18.70130656, 18.8846527028, 19.0679988455, 19.2513449883]" +26,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Nb,"[-10.06593043, -10.07595702, -10.08356683, -10.08887705, -10.09199514, -10.0930286, -10.09207644, -10.08923212, -10.0845879, -10.0782256, -10.07023084]",PBE,-10.0930429107887,8.85819887979838e-07,30.0,1.0,-0.000161063307100211,-0.000161063307100211,E0,FindHistory,-10.093026654600001,1.1686e-06,"[17.4180666096, 17.6014146791, 17.7847627487, 17.9681108183, 18.1514588879, 18.3348069574, 18.518155027, 18.7015030966, 18.8848511662, 19.0681992357, 19.2515473053]" +27,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Nb,"[-10.0658585, -10.07587724, -10.08349121, -10.08880619, -10.09193617, -10.09298113, -10.09203494, -10.08920268, -10.08456584, -10.0782153, -10.07022998]",PBE,-10.0930429107887,8.85819887979838e-07,24.0,1.0,-0.0006667908706517337,-0.0006667908706517337,E0,FindHistory,-10.0929756113,2.1739e-06,"[17.4184770278, 17.6018294175, 17.7851818073, 17.9685341971, 18.1518865868, 18.3352389766, 18.5185913664, 18.7019437561, 18.8852961459, 19.0686485357, 19.2520009254]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Nb,"[-10.06590887, -10.0759387, -10.08355571, -10.08887419, -10.09200509, -10.09304863, -10.09210598, -10.08927105, -10.08463328, -10.07827884, -10.07028906]",PBE,-10.0930429107887,8.85819887979838e-07,54.0,1.0,-2.932030830820021e-05,2.932030830820021e-05,E0,FindHistory,-10.0930458701,1.5388999999999996e-06,"[17.4177876619, 17.6011327952, 17.7844779284, 17.9678230617, 18.151168195, 18.3345133283, 18.5178584616, 18.7012035949, 18.8845487281, 19.0678938614, 19.2512389947]" +29,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Nb,"[-10.06594777, -10.07597001, -10.08357533, -10.08887962, -10.09199225, -10.09302361, -10.09206889, -10.08922341, -10.08457572, -10.07821175, -10.07021718]",PBE,-10.0930429107887,8.85819887979838e-07,26.0,1.0,-0.0002088080758821073,-0.0002088080758821073,E0,FindHistory,-10.0930218357,1.0692e-06,"[17.4181565808, 17.6015055975, 17.7848546141, 17.9682036307, 18.1515526474, 18.334901664, 18.5182506807, 18.7015996973, 18.884948713900002, 19.0682977306, 19.2516467472]" +30,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Nb,"[-10.06613633, -10.07615106, -10.08375935, -10.08904781, -10.09215747, -10.09317865, -10.09221376, -10.08935028, -10.08468725, -10.07830483, -10.0702915]",PBE,-10.0930429107887,8.85819887979838e-07,22.0,1.0,-0.0013199499147837266,0.0013199499147837266,E0,FindHistory,-10.0931761339,1.9373e-06,"[17.4185009749, 17.6018536167, 17.7852062585, 17.9685589004, 18.1519115422, 18.3352641841, 18.5186168259, 18.7019694678, 18.8853221096, 19.0686747514, 19.2520273933]" +0,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Nb,"[-10.17987253, -10.18933026, -10.19627148, -10.20082549, -10.20313566, -10.20334619, -10.2014898, -10.19771056, -10.1920589, -10.1846851, -10.1756555]",PBE,3.8509155073619903,0.00393103985084451,4.0,1.0,5.237148331414989,5.237148331414989,dB,FindHistory,4.0525936646,0.050221235700000005,"[17.433564274, 17.6170754769, 17.8005866798, 17.9840978827, 18.1676090856, 18.3511202884, 18.5346314913, 18.7181426942, 18.9016538971, 19.0851651, 19.2686763029]" +1,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Nb,"[-10.06590121, -10.07593301, -10.08355186, -10.08886993, -10.09199931, -10.09304158, -10.09209503, -10.08925951, -10.08462257, -10.07826875, -10.07027809]",PBE,3.8509155073619903,0.00393103985084451,28.0,1.0,0.4332281247437281,0.4332281247437281,dB,FindHistory,3.8675987564,0.0121675794,"[17.4182901333, 17.6016405558, 17.7849909782, 17.9683414007, 18.1516918231, 18.3350422456, 18.518392668, 18.7017430905, 18.8850935129, 19.0684439354, 19.2517943579]" +2,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Nb,"[-10.0659115, -10.07594038, -10.08355547, -10.08887229, -10.09200115, -10.09304528, -10.09210201, -10.08926934, -10.08463476, -10.07828207, -10.07029246]",PBE,3.8509155073619903,0.00393103985084451,50.0,1.0,0.03557744799570809,-0.03557744799570809,dB,FindHistory,3.8495454499,0.0089424174,"[17.4178491642, 17.6011949449, 17.7845407256, 17.9678865063, 18.1512322869, 18.3345780676, 18.5179238483, 18.701269629, 18.8846154096, 19.0679611903, 19.251306970999998]" +3,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Nb,"[-10.06590452, -10.07593399, -10.08355031, -10.08886972, -10.09199899, -10.09304388, -10.09210415, -10.08927076, -10.08463466, -10.07828208, -10.07029211]",PBE,3.8509155073619903,0.00393103985084451,64.0,1.0,0.21591650988173086,-0.21591650988173086,dB,FindHistory,3.842600745,0.010163908000000001,"[17.4177449085, 17.6010895917, 17.784434275, 17.9677789582, 18.1511236415, 18.3344683247, 18.5178130079, 18.7011576912, 18.8845023744, 19.0678470577, 19.2511917409]" +4,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Nb,"[-10.06592742, -10.0759506, -10.08355689, -10.08886939, -10.09199313, -10.09303098, -10.09208461, -10.08924518, -10.08460484, -10.07824684, -10.07025638]",PBE,3.8509155073619903,0.00393103985084451,34.0,1.0,0.000929128720734326,-0.000929128720734326,dB,FindHistory,3.8508797274,0.01240494,"[17.418039596, 17.6013873813, 17.7847351665, 17.9680829517, 18.1514307369, 18.3347785221, 18.5181263074, 18.7014740926, 18.8848218778, 19.068169663, 19.2515174482]" +5,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Nb,"[-10.06729018, -10.07725265, -10.08479134, -10.09005445, -10.09311747, -10.09409447, -10.09308701, -10.09018613, -10.08548716, -10.07907582, -10.07102895]",PBE,3.8509155073619903,0.00393103985084451,16.0,1.0,0.2913853242575169,0.2913853242575169,dB,FindHistory,3.86213651,0.0239274769,"[17.4175272809, 17.6008696733, 17.7842120658, 17.9675544582, 18.1508968506, 18.3342392431, 18.5175816355, 18.7009240279, 18.8842664204, 19.0676088128, 19.2509512052]" +6,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Nb,"[-10.06590481, -10.07593647, -10.08355378, -10.08887165, -10.09199953, -10.09304523, -10.09210397, -10.08926979, -10.08463316, -10.07827984, -10.07029123]",PBE,3.8509155073619903,0.00393103985084451,56.0,1.0,0.0539383877428326,0.0539383877428326,dB,FindHistory,3.8529926291,0.0098195222,"[17.417795257, 17.6011404702, 17.7844856834, 17.9678308967, 18.1511761099, 18.3345213231, 18.5178665364, 18.7012117496, 18.8845569628, 19.0679021761, 19.2512473893]" +7,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Nb,"[-10.07371011, -10.08356819, -10.09101957, -10.09617347, -10.0991417, -10.10003229, -10.09887813, -10.09593866, -10.09120728, -10.08475683, -10.07670084]",PBE,3.8509155073619903,0.00393103985084451,12.0,1.0,7.415827742573351,7.415827742573351,dB,FindHistory,4.1364927679,0.0740886179,"[17.4043632319, 17.5875670554, 17.7707708789, 17.9539747024, 18.1371785259, 18.3203823494, 18.5035861729, 18.6867899964, 18.8699938199, 19.0531976434, 19.2364014669]" +8,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Nb,"[-10.06592547, -10.07595229, -10.08356477, -10.08887553, -10.09199972, -10.09304237, -10.09209984, -10.08926618, -10.08462739, -10.07826978, -10.07027379]",PBE,3.8509155073619903,0.00393103985084451,36.0,1.0,0.4763712038584003,-0.4763712038584003,dB,FindHistory,3.8325708548,0.0041254212,"[17.4181773326, 17.6015265677, 17.7848758028, 17.9682250378, 18.1515742729, 18.334923508, 18.5182727431, 18.7016219782, 18.8849712132, 19.0683204483, 19.2516696834]" +9,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Nb,"[-10.06591334, -10.07594331, -10.08355842, -10.08887198, -10.09199783, -10.09303972, -10.09209703, -10.0892632, -10.08462646, -10.07827149, -10.0702837]",PBE,3.8509155073619903,0.00393103985084451,48.0,1.0,0.23189021729866688,0.23189021729866688,dB,FindHistory,3.8598454037,0.0074259597,"[17.4178390156, 17.6011846894, 17.7845303633, 17.9678760371, 18.151221711, 18.3345673848, 18.5179130587, 18.7012587325, 18.8846044064, 19.0679500802, 19.2512957541]" +10,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Nb,"[-10.06590399, -10.07593449, -10.08355215, -10.0888725, -10.09200122, -10.09304431, -10.09210211, -10.08926706, -10.08463016, -10.07827758, -10.07028805]",PBE,3.8509155073619903,0.00393103985084451,58.0,1.0,0.17487263029104674,0.17487263029104674,dB,FindHistory,3.8576497046,0.0122245708,"[17.4177457483, 17.6010904404, 17.7844351325, 17.9677798246, 18.1511245167, 18.3344692087, 18.5178139008, 18.7011585929, 18.884503285, 19.0678479771, 19.2511926692]" +11,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Nb,"[-10.06590597, -10.07593805, -10.08355531, -10.08887235, -10.0919997, -10.093043399999999, -10.09210061, -10.08926858, -10.08463378, -10.07828326, -10.07029579]",PBE,3.8509155073619903,0.00393103985084451,60.0,1.0,0.3988399981419308,0.3988399981419308,dB,FindHistory,3.8662744987,0.0074372589,"[17.4177562908, 17.6011010938, 17.7844458969, 17.9677906999, 18.151135503, 18.3344803061, 18.5178251091, 18.7011699122, 18.8845147152, 19.0678595183, 19.2512043214]" +12,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Nb,"[-10.06591698, -10.07594113, -10.08355224, -10.08886668, -10.09199249, -10.09303673, -10.09209109, -10.08925611, -10.08461829, -10.07826423, -10.07027374]",PBE,3.8509155073619903,0.00393103985084451,38.0,1.0,0.2095766538258549,-0.2095766538258549,dB,FindHistory,3.8428448875,0.0113488572,"[17.4179377666, 17.6012844799, 17.7846311932, 17.9679779066, 18.1513246199, 18.3346713332, 18.5180180466, 18.7013647599, 18.8847114732, 19.0680581866, 19.2514048999]" +13,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Nb,"[-10.06590719, -10.07594055, -10.08356062, -10.08887927, -10.09200871, -10.09305239, -10.09210762, -10.08927093, -10.08463148, -10.07827634, -10.07028521]",PBE,3.8509155073619903,0.00393103985084451,40.0,1.0,0.3110247398342622,0.3110247398342622,dB,FindHistory,3.8628928073,0.0125143734,"[17.4179157618, 17.6012622435, 17.784608725200002, 17.9679552069, 18.1513016886, 18.3346481703, 18.517994652, 18.7013411337, 18.8846876154, 19.0680340971, 19.2513805788]" +14,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Nb,"[-10.06595884, -10.07542782, -10.08254474, -10.08743494, -10.09020513, -10.09097902, -10.08985222, -10.08689918, -10.08220105, -10.07582481, -10.06786275]",PBE,3.8509155073619903,0.00393103985084451,10.0,1.0,0.7760729858875355,-0.7760729858875355,dB,FindHistory,3.8210295924,0.049912646100000006,"[17.4294521283, 17.6129200455, 17.7963879626, 17.9798558797, 18.1633237969, 18.346791714, 18.5302596312, 18.7137275483, 18.8971954654, 19.0806633826, 19.2641312997]" +15,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Nb,"[-10.06590739, -10.07593566, -10.08355189, -10.08886968, -10.09199884, -10.09304243, -10.09210026, -10.08926696, -10.08463197, -10.07827939, -10.07029029]",PBE,3.8509155073619903,0.00393103985084451,52.0,1.0,0.024644481557073866,-0.024644481557073866,dB,FindHistory,3.8499664692,0.0102988097,"[17.4178113392, 17.6011567217, 17.7845021042, 17.9678474867, 18.1511928692, 18.3345382518, 18.5178836343, 18.7012290168, 18.8845743993, 19.0679197818, 19.2512651643]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Nb,"[-10.06591591, -10.07594126, -10.08355414, -10.08886848, -10.09199504, -10.0930375, -10.09209317, -10.08925763, -10.08462116, -10.07826982, -10.07028365]",PBE,3.8509155073619903,0.00393103985084451,42.0,1.0,0.2354568055485848,0.2354568055485848,dB,FindHistory,3.85998275,0.0124228169,"[17.4179024881, 17.60124883, 17.784595172, 17.967941514, 18.151287856, 18.334634198, 18.5179805399, 18.701326881900002, 18.8846732239, 19.0680195659, 19.2513659079]" +17,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Nb,"[-10.13561719, -10.1463022, -10.15416816, -10.15977972, -10.1632448, -10.1646367, -10.16409324, -10.16169546, -10.15753374, -10.15169004, -10.14423366]",PBE,3.8509155073619903,0.00393103985084451,6.0,1.0,22.53130438928762,22.53130438928762,dB,FindHistory,4.7185770021,0.2662254378,"[17.1890321841, 17.369969365, 17.5509065459, 17.7318437268, 17.9127809077, 18.0937180885, 18.2746552694, 18.4555924503, 18.6365296312, 18.8174668121, 18.998403993]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Nb,"[-10.06591588, -10.07594564, -10.08356259, -10.08887917, -10.09200806, -10.09305274, -10.09211035, -10.08927347, -10.08463437, -10.07827732, -10.07028394]",PBE,3.8509155073619903,0.00393103985084451,44.0,1.0,0.2749544891792166,-0.2749544891792166,dB,FindHistory,3.8403272423,0.0108717515,"[17.417894916, 17.6012411783, 17.7845874406, 17.9679337029, 18.1512799651, 18.3346262274, 18.5179724897, 18.701318752, 18.8846650142, 19.0680112765, 19.2513575388]" +19,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Nb,"[-10.10102164, -10.11088258, -10.11833619, -10.12350476, -10.1264908, -10.12738622, -10.12630673, -10.12305326, -10.11821633, -10.11167484, -10.10350404]",PBE,3.8509155073619903,0.00393103985084451,8.0,1.0,1.6085810846689912,1.6085810846689912,dB,FindHistory,3.9128606058,0.268605504,"[17.3465599667, 17.5291553348, 17.7117507029, 17.8943460709, 18.076941439, 18.2595368071, 18.4421321752, 18.6247275432, 18.8073229113, 18.9899182794, 19.1725136474]" +20,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Nb,"[-10.06592907, -10.07595573, -10.08356703, -10.08887562, -10.09199126, -10.09301972, -10.09206166, -10.08921585, -10.08456884, -10.07820706, -10.07021675]",PBE,3.8509155073619903,0.00393103985084451,20.0,1.0,1.7108487270639166,1.7108487270639166,dB,FindHistory,3.9167988463,0.0137231514,"[17.4188241315, 17.602180175, 17.7855362185, 17.968892262, 18.1522483055, 18.335604349, 18.5189603925, 18.702316436, 18.8856724795, 19.0690285229, 19.2523845664]" +21,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Nb,"[-10.065903, -10.07593444, -10.08355117, -10.08886935, -10.09200024, -10.09304438, -10.09210235, -10.08927055, -10.08463548, -10.07828138, -10.07029369]",PBE,3.8509155073619903,0.00393103985084451,62.0,1.0,0.0017352876702275597,-0.0017352876702275597,dB,FindHistory,3.8508486829,0.0099490957,"[17.4177313515, 17.6010758921, 17.7844204326, 17.9677649732, 18.1511095137, 18.3344540543, 18.5177985948, 18.7011431353, 18.8844876759, 19.0678322164, 19.251176757]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Nb,"[-10.0659246, -10.07594585, -10.08355456, -10.08886681, -10.0919916, -10.09303316, -10.09208666, -10.08924841, -10.08460863, -10.07825462, -10.07026244]",PBE,3.8509155073619903,0.00393103985084451,32.0,1.0,0.19094755384616674,-0.19094755384616674,dB,FindHistory,3.8435622784,0.0128198935,"[17.4182307373, 17.601580534500002, 17.7849303317, 17.968280129, 18.1516299262, 18.3349797234, 18.5183295207, 18.701679317900002, 18.8850291151, 19.0683789124, 19.2517287096]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Nb,"[-10.06706136, -10.07707429, -10.08485425, -10.0902642, -10.09344394, -10.09452276, -10.09361221, -10.09079929, -10.08620251, -10.07990806, -10.07197769]",PBE,3.8509155073619903,0.00393103985084451,14.0,1.0,3.760488565930981,3.760488565930981,dB,FindHistory,3.995728744700001,0.1509786849,"[17.4186794985, 17.6020340195, 17.7853885405, 17.9687430616, 18.1520975826, 18.3354521036, 18.5188066247, 18.7021611457, 18.8855156668, 19.0688701878, 19.2522247088]" +24,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Nb,"[-10.06648634, -10.07651236, -10.08410683, -10.08940215, -10.09251489, -10.09353565, -10.09260123, -10.08974286, -10.08508991, -10.07874129, -10.07070995]",PBE,3.8509155073619903,0.00393103985084451,18.0,1.0,0.565029173462593,-0.565029173462593,dB,FindHistory,3.8291567113,0.034402141000000004,"[17.418209119, 17.6015586887, 17.7849082584, 17.968257828, 18.1516073977, 18.3349569674, 18.5183065371, 18.7016561067, 18.8850056764, 19.0683552461, 19.2517048157]" +25,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Nb,"[-10.06591084, -10.07594184, -10.08355706, -10.08887424, -10.0920013, -10.09304461, -10.09210015, -10.08926399, -10.08462643, -10.07827264, -10.07028441]",PBE,3.8509155073619903,0.00393103985084451,46.0,1.0,0.3237626069482567,0.3237626069482567,dB,FindHistory,3.8633833318,0.0115005066,"[17.4178835608, 17.6012297036, 17.7845758463, 17.9679219891, 18.1512681318, 18.3346142746, 18.5179604173, 18.70130656, 18.8846527028, 19.0679988455, 19.2513449883]" +26,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Nb,"[-10.06593043, -10.07595702, -10.08356683, -10.08887705, -10.09199514, -10.0930286, -10.09207644, -10.08923212, -10.0845879, -10.0782256, -10.07023084]",PBE,3.8509155073619903,0.00393103985084451,30.0,1.0,0.753637852674959,0.753637852674959,dB,FindHistory,3.8799374643,0.0097784584,"[17.4180666096, 17.6014146791, 17.7847627487, 17.9681108183, 18.1514588879, 18.3348069574, 18.518155027, 18.7015030966, 18.8848511662, 19.0681992357, 19.2515473053]" +27,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Nb,"[-10.0658585, -10.07587724, -10.08349121, -10.08880619, -10.09193617, -10.09298113, -10.09203494, -10.08920268, -10.08456584, -10.0782153, -10.07022998]",PBE,3.8509155073619903,0.00393103985084451,24.0,1.0,0.2203678955242423,-0.2203678955242423,dB,FindHistory,3.8424293259,0.01820348,"[17.4184770278, 17.6018294175, 17.7851818073, 17.9685341971, 18.1518865868, 18.3352389766, 18.5185913664, 18.7019437561, 18.8852961459, 19.0686485357, 19.2520009254]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Nb,"[-10.06590887, -10.0759387, -10.08355571, -10.08887419, -10.09200509, -10.09304863, -10.09210598, -10.08927105, -10.08463328, -10.07827884, -10.07028906]",PBE,3.8509155073619903,0.00393103985084451,54.0,1.0,0.04884737040825603,-0.04884737040825603,dB,FindHistory,3.8490344364,0.0128769326,"[17.4177876619, 17.6011327952, 17.7844779284, 17.9678230617, 18.151168195, 18.3345133283, 18.5178584616, 18.7012035949, 18.8845487281, 19.0678938614, 19.2512389947]" +29,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Nb,"[-10.06594777, -10.07597001, -10.08357533, -10.08887962, -10.09199225, -10.09302361, -10.09206889, -10.08922341, -10.08457572, -10.07821175, -10.07021718]",PBE,3.8509155073619903,0.00393103985084451,26.0,1.0,0.8116026585953254,0.8116026585953254,dB,FindHistory,3.88216964,0.008950635600000001,"[17.4181565808, 17.6015055975, 17.7848546141, 17.9682036307, 18.1515526474, 18.334901664, 18.5182506807, 18.7015996973, 18.884948713900002, 19.0682977306, 19.2516467472]" +30,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Nb,"[-10.06613633, -10.07615106, -10.08375935, -10.08904781, -10.09215747, -10.09317865, -10.09221376, -10.08935028, -10.08468725, -10.07830483, -10.0702915]",PBE,3.8509155073619903,0.00393103985084451,22.0,1.0,0.5722248877152135,0.5722248877152135,dB,FindHistory,3.8729514043,0.0162047124,"[17.4185009749, 17.6018536167, 17.7852062585, 17.9685589004, 18.1519115422, 18.3352641841, 18.5186168259, 18.7019694678, 18.8853221096, 19.0686747514, 19.2520273933]" +0,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Nb,"[-10.06590597, -10.07593805, -10.08355531, -10.08887235, -10.0919997, -10.093043399999999, -10.09210061, -10.08926858, -10.08463378, -10.07828326, -10.07029579]",PBE,18.337820029701,2.44095352778815e-05,60.0,1.0,0.0006713807900829476,-0.0006713807900829476,v0,FindHistory,18.3376969131,4.38813e-05,"[17.4177562908, 17.6011010938, 17.7844458969, 17.9677906999, 18.151135503, 18.3344803061, 18.5178251091, 18.7011699122, 18.8845147152, 19.0678595183, 19.2512043214]" +1,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Nb,"[-10.17987253, -10.18933026, -10.19627148, -10.20082549, -10.20313566, -10.20334619, -10.2014898, -10.19771056, -10.1920589, -10.1846851, -10.1756555]",PBE,18.337820029701,2.44095352778815e-05,4.0,1.0,0.3430813509953715,-0.3430813509953715,v0,FindHistory,18.274906389,0.0002932362,"[17.433564274, 17.6170754769, 17.8005866798, 17.9840978827, 18.1676090856, 18.3511202884, 18.5346314913, 18.7181426942, 18.9016538971, 19.0851651, 19.2686763029]" +2,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Nb,"[-10.06590121, -10.07593301, -10.08355186, -10.08886993, -10.09199931, -10.09304158, -10.09209503, -10.08925951, -10.08462257, -10.07826875, -10.07027809]",PBE,18.337820029701,2.44095352778815e-05,28.0,1.0,0.0016357271394141035,0.0016357271394141035,v0,FindHistory,18.338119986400002,7.17985e-05,"[17.4182901333, 17.6016405558, 17.7849909782, 17.9683414007, 18.1516918231, 18.3350422456, 18.518392668, 18.7017430905, 18.8850935129, 19.0684439354, 19.2517943579]" +3,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Nb,"[-10.0659115, -10.07594038, -10.08355547, -10.08887229, -10.09200115, -10.09304528, -10.09210201, -10.08926934, -10.08463476, -10.07828207, -10.07029246]",PBE,18.337820029701,2.44095352778815e-05,50.0,1.0,0.00010662553655661956,0.00010662553655661956,v0,FindHistory,18.3378395825,5.276140000000001e-05,"[17.4178491642, 17.6011949449, 17.7845407256, 17.9678865063, 18.1512322869, 18.3345780676, 18.5179238483, 18.701269629, 18.8846154096, 19.0679611903, 19.251306970999998]" +4,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Nb,"[-10.06590452, -10.07593399, -10.08355031, -10.08886972, -10.09199899, -10.09304388, -10.09210415, -10.08927076, -10.08463466, -10.07828208, -10.07029211]",PBE,18.337820029701,2.44095352778815e-05,64.0,1.0,8.610128672267602e-05,8.610128672267602e-05,v0,FindHistory,18.337835818800002,5.996800000000001e-05,"[17.4177449085, 17.6010895917, 17.784434275, 17.9677789582, 18.1511236415, 18.3344683247, 18.5178130079, 18.7011576912, 18.8845023744, 19.0678470577, 19.2511917409]" +5,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Nb,"[-10.06592742, -10.0759506, -10.08355689, -10.08886939, -10.09199313, -10.09303098, -10.09208461, -10.08924518, -10.08460484, -10.07824684, -10.07025638]",PBE,18.337820029701,2.44095352778815e-05,34.0,1.0,0.0015142819623641204,-0.0015142819623641204,v0,FindHistory,18.3375423434,7.31994e-05,"[17.418039596, 17.6013873813, 17.7847351665, 17.9680829517, 18.1514307369, 18.3347785221, 18.5181263074, 18.7014740926, 18.8848218778, 19.068169663, 19.2515174482]" +6,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Nb,"[-10.06729018, -10.07725265, -10.08479134, -10.09005445, -10.09311747, -10.09409447, -10.09308701, -10.09018613, -10.08548716, -10.07907582, -10.07102895]",PBE,18.337820029701,2.44095352778815e-05,16.0,1.0,0.03459655559235721,-0.03459655559235721,v0,FindHistory,18.331475775599998,0.00014124209999999998,"[17.4175272809, 17.6008696733, 17.7842120658, 17.9675544582, 18.1508968506, 18.3342392431, 18.5175816355, 18.7009240279, 18.8842664204, 19.0676088128, 19.2509512052]" +7,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Nb,"[-10.07371011, -10.08356819, -10.09101957, -10.09617347, -10.0991417, -10.10003229, -10.09887813, -10.09593866, -10.09120728, -10.08475683, -10.07670084]",PBE,18.337820029701,2.44095352778815e-05,12.0,1.0,0.15791388591500966,-0.15791388591500966,v0,FindHistory,18.308862065499998,0.0004371186,"[17.4043632319, 17.5875670554, 17.7707708789, 17.9539747024, 18.1371785259, 18.3203823494, 18.5035861729, 18.6867899964, 18.8699938199, 19.0531976434, 19.2364014669]" +8,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Nb,"[-10.06590481, -10.07593647, -10.08355378, -10.08887165, -10.09199953, -10.09304523, -10.09210397, -10.08926979, -10.08463316, -10.07827984, -10.07029123]",PBE,18.337820029701,2.44095352778815e-05,56.0,1.0,0.00015057079280594317,-0.00015057079280594317,v0,FindHistory,18.337792418299998,5.794020000000001e-05,"[17.417795257, 17.6011404702, 17.7844856834, 17.9678308967, 18.1511761099, 18.3345213231, 18.5178665364, 18.7012117496, 18.8845569628, 19.0679021761, 19.2512473893]" +9,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Nb,"[-10.06592547, -10.07595229, -10.08356477, -10.08887553, -10.09199972, -10.09304237, -10.09209984, -10.08926618, -10.08462739, -10.07826978, -10.07027379]",PBE,18.337820029701,2.44095352778815e-05,36.0,1.0,0.0010075439648897918,0.0010075439648897918,v0,FindHistory,18.3380047913,2.43423e-05,"[17.4181773326, 17.6015265677, 17.7848758028, 17.9682250378, 18.1515742729, 18.334923508, 18.5182727431, 18.7016219782, 18.8849712132, 19.0683204483, 19.2516696834]" +10,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Nb,"[-10.06591334, -10.07594331, -10.08355842, -10.08887198, -10.09199783, -10.09303972, -10.09209703, -10.0892632, -10.08462646, -10.07827149, -10.0702837]",PBE,18.337820029701,2.44095352778815e-05,48.0,1.0,0.0009590360288986002,-0.0009590360288986002,v0,FindHistory,18.3376441634,4.3817e-05,"[17.4178390156, 17.6011846894, 17.7845303633, 17.9678760371, 18.151221711, 18.3345673848, 18.5179130587, 18.7012587325, 18.8846044064, 19.0679500802, 19.2512957541]" +11,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Nb,"[-10.06590399, -10.07593449, -10.08355215, -10.0888725, -10.09200122, -10.09304431, -10.09210211, -10.08926706, -10.08463016, -10.07827758, -10.07028805]",PBE,18.337820029701,2.44095352778815e-05,58.0,1.0,0.0007112126784251406,-0.0007112126784251406,v0,FindHistory,18.3376896088,7.21277e-05,"[17.4177457483, 17.6010904404, 17.7844351325, 17.9677798246, 18.1511245167, 18.3344692087, 18.5178139008, 18.7011585929, 18.884503285, 19.0678479771, 19.2511926692]" +12,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Nb,"[-10.06591698, -10.07594113, -10.08355224, -10.08886668, -10.09199249, -10.09303673, -10.09209109, -10.08925611, -10.08461829, -10.07826423, -10.07027374]",PBE,18.337820029701,2.44095352778815e-05,38.0,1.0,0.0003268392911518948,-0.0003268392911518948,v0,FindHistory,18.337760094500002,6.6963e-05,"[17.4179377666, 17.6012844799, 17.7846311932, 17.9679779066, 18.1513246199, 18.3346713332, 18.5180180466, 18.7013647599, 18.8847114732, 19.0680581866, 19.2514048999]" +13,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Nb,"[-10.06590719, -10.07594055, -10.08356062, -10.08887927, -10.09200871, -10.09305239, -10.09210762, -10.08927093, -10.08463148, -10.07827634, -10.07028521]",PBE,18.337820029701,2.44095352778815e-05,40.0,1.0,0.0003417516416821745,-0.0003417516416821745,v0,FindHistory,18.3377573599,7.38395e-05,"[17.4179157618, 17.6012622435, 17.784608725200002, 17.9679552069, 18.1513016886, 18.3346481703, 18.517994652, 18.7013411337, 18.8846876154, 19.0680340971, 19.2513805788]" +14,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Nb,"[-10.06590739, -10.07593566, -10.08355189, -10.08886968, -10.09199884, -10.09304243, -10.09210026, -10.08926696, -10.08463197, -10.07827939, -10.07029029]",PBE,18.337820029701,2.44095352778815e-05,52.0,1.0,3.263910861945851e-05,-3.263910861945851e-05,v0,FindHistory,18.3378140444,6.07671e-05,"[17.4178113392, 17.6011567217, 17.7845021042, 17.9678474867, 18.1511928692, 18.3345382518, 18.5178836343, 18.7012290168, 18.8845743993, 19.0679197818, 19.2512651643]" +15,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Nb,"[-10.06595884, -10.07542782, -10.08254474, -10.08743494, -10.09020513, -10.09097902, -10.08985222, -10.08689918, -10.08220105, -10.07582481, -10.06786275]",PBE,18.337820029701,2.44095352778815e-05,10.0,1.0,0.05341392425672964,-0.05341392425672964,v0,FindHistory,18.3280250804,0.0002949313,"[17.4294521283, 17.6129200455, 17.7963879626, 17.9798558797, 18.1633237969, 18.346791714, 18.5302596312, 18.7137275483, 18.8971954654, 19.0806633826, 19.2641312997]" +16,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Nb,"[-10.06591591, -10.07594126, -10.08355414, -10.08886848, -10.09199504, -10.0930375, -10.09209317, -10.08925763, -10.08462116, -10.07826982, -10.07028365]",PBE,18.337820029701,2.44095352778815e-05,42.0,1.0,0.0006592692086876237,-0.0006592692086876237,v0,FindHistory,18.3376991341,7.329750000000001e-05,"[17.4179024881, 17.60124883, 17.784595172, 17.967941514, 18.151287856, 18.334634198, 18.5179805399, 18.701326881900002, 18.8846732239, 19.0680195659, 19.2513659079]" +17,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Nb,"[-10.13561719, -10.1463022, -10.15416816, -10.15977972, -10.1632448, -10.1646367, -10.16409324, -10.16169546, -10.15753374, -10.15169004, -10.14423366]",PBE,18.337820029701,2.44095352778815e-05,6.0,1.0,1.1347553605824818,-1.1347553605824818,v0,FindHistory,18.1297306339,0.0015383242,"[17.1890321841, 17.369969365, 17.5509065459, 17.7318437268, 17.9127809077, 18.0937180885, 18.2746552694, 18.4555924503, 18.6365296312, 18.8174668121, 18.998403993]" +18,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Nb,"[-10.06591588, -10.07594564, -10.08356259, -10.08887917, -10.09200806, -10.09305274, -10.09211035, -10.08927347, -10.08463437, -10.07827732, -10.07028394]",PBE,18.337820029701,2.44095352778815e-05,44.0,1.0,2.3804361661291235e-05,-2.3804361661291235e-05,v0,FindHistory,18.3378156645,6.41478e-05,"[17.417894916, 17.6012411783, 17.7845874406, 17.9679337029, 18.1512799651, 18.3346262274, 18.5179724897, 18.701318752, 18.8846650142, 19.0680112765, 19.2513575388]" +19,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Nb,"[-10.10102164, -10.11088258, -10.11833619, -10.12350476, -10.1264908, -10.12738622, -10.12630673, -10.12305326, -10.11821633, -10.11167484, -10.10350404]",PBE,18.337820029701,2.44095352778815e-05,8.0,1.0,0.5083964383443713,-0.5083964383443713,v0,FindHistory,18.2445912058,0.0015796978,"[17.3465599667, 17.5291553348, 17.7117507029, 17.8943460709, 18.076941439, 18.2595368071, 18.4421321752, 18.6247275432, 18.8073229113, 18.9899182794, 19.1725136474]" +20,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Nb,"[-10.06592907, -10.07595573, -10.08356703, -10.08887562, -10.09199126, -10.09301972, -10.09206166, -10.08921585, -10.08456884, -10.07820706, -10.07021675]",PBE,18.337820029701,2.44095352778815e-05,20.0,1.0,0.0018433848759182956,-0.0018433848759182956,v0,FindHistory,18.3374819931,8.09814e-05,"[17.4188241315, 17.602180175, 17.7855362185, 17.968892262, 18.1522483055, 18.335604349, 18.5189603925, 18.702316436, 18.8856724795, 19.0690285229, 19.2523845664]" +21,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Nb,"[-10.065903, -10.07593444, -10.08355117, -10.08886935, -10.09200024, -10.09304438, -10.09210235, -10.08927055, -10.08463548, -10.07828138, -10.07029369]",PBE,18.337820029701,2.44095352778815e-05,62.0,1.0,0.00019907001454699634,-0.00019907001454699634,v0,FindHistory,18.3377835246,5.870100000000001e-05,"[17.4177313515, 17.6010758921, 17.7844204326, 17.9677649732, 18.1511095137, 18.3344540543, 18.5177985948, 18.7011431353, 18.8844876759, 19.0678322164, 19.251176757]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Nb,"[-10.0659246, -10.07594585, -10.08355456, -10.08886681, -10.0919916, -10.09303316, -10.09208666, -10.08924841, -10.08460863, -10.07825462, -10.07026244]",PBE,18.337820029701,2.44095352778815e-05,32.0,1.0,0.00039394322161892363,0.00039394322161892363,v0,FindHistory,18.3378922703,7.5647e-05,"[17.4182307373, 17.601580534500002, 17.7849303317, 17.968280129, 18.1516299262, 18.3349797234, 18.5183295207, 18.701679317900002, 18.8850291151, 19.0683789124, 19.2517287096]" +23,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Nb,"[-10.06706136, -10.07707429, -10.08485425, -10.0902642, -10.09344394, -10.09452276, -10.09361221, -10.09079929, -10.08620251, -10.07990806, -10.07197769]",PBE,18.337820029701,2.44095352778815e-05,14.0,1.0,0.026554666754898378,0.026554666754898378,v0,FindHistory,18.3426895767,0.0008903607000000002,"[17.4186794985, 17.6020340195, 17.7853885405, 17.9687430616, 18.1520975826, 18.3354521036, 18.5188066247, 18.7021611457, 18.8855156668, 19.0688701878, 19.2522247088]" +24,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Nb,"[-10.06648634, -10.07651236, -10.08410683, -10.08940215, -10.09251489, -10.09353565, -10.09260123, -10.08974286, -10.08508991, -10.07874129, -10.07070995]",PBE,18.337820029701,2.44095352778815e-05,18.0,1.0,0.004800100009568442,-0.004800100009568442,v0,FindHistory,18.336939796,0.0002030134,"[17.418209119, 17.6015586887, 17.7849082584, 17.968257828, 18.1516073977, 18.3349569674, 18.5183065371, 18.7016561067, 18.8850056764, 19.0683552461, 19.2517048157]" +25,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Nb,"[-10.06591084, -10.07594184, -10.08355706, -10.08887424, -10.0920013, -10.09304461, -10.09210015, -10.08926399, -10.08462643, -10.07827264, -10.07028441]",PBE,18.337820029701,2.44095352778815e-05,46.0,1.0,0.0007123873000718933,-0.0007123873000718933,v0,FindHistory,18.337689393399998,6.78619e-05,"[17.4178835608, 17.6012297036, 17.7845758463, 17.9679219891, 18.1512681318, 18.3346142746, 18.5179604173, 18.70130656, 18.8846527028, 19.0679988455, 19.2513449883]" +26,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Nb,"[-10.06593043, -10.07595702, -10.08356683, -10.08887705, -10.09199514, -10.0930286, -10.09207644, -10.08923212, -10.0845879, -10.0782256, -10.07023084]",PBE,18.337820029701,2.44095352778815e-05,30.0,1.0,0.004046040367913893,-0.004046040367913893,v0,FindHistory,18.337078074100003,5.77064e-05,"[17.4180666096, 17.6014146791, 17.7847627487, 17.9681108183, 18.1514588879, 18.3348069574, 18.518155027, 18.7015030966, 18.8848511662, 19.0681992357, 19.2515473053]" +27,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Nb,"[-10.0658585, -10.07587724, -10.08349121, -10.08880619, -10.09193617, -10.09298113, -10.09203494, -10.08920268, -10.08456584, -10.0782153, -10.07022998]",PBE,18.337820029701,2.44095352778815e-05,24.0,1.0,0.00360637141126136,0.00360637141126136,v0,FindHistory,18.3384813596,0.0001073997,"[17.4184770278, 17.6018294175, 17.7851818073, 17.9685341971, 18.1518865868, 18.3352389766, 18.5185913664, 18.7019437561, 18.8852961459, 19.0686485357, 19.2520009254]" +28,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Nb,"[-10.06590887, -10.0759387, -10.08355571, -10.08887419, -10.09200509, -10.09304863, -10.09210598, -10.08927105, -10.08463328, -10.07827884, -10.07028906]",PBE,18.337820029701,2.44095352778815e-05,54.0,1.0,0.0003491494675762095,-0.0003491494675762095,v0,FindHistory,18.3377560033,7.59785e-05,"[17.4177876619, 17.6011327952, 17.7844779284, 17.9678230617, 18.151168195, 18.3345133283, 18.5178584616, 18.7012035949, 18.8845487281, 19.0678938614, 19.2512389947]" +29,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Nb,"[-10.06594777, -10.07597001, -10.08357533, -10.08887962, -10.09199225, -10.09302361, -10.09206889, -10.08922341, -10.08457572, -10.07821175, -10.07021718]",PBE,18.337820029701,2.44095352778815e-05,26.0,1.0,0.0051647660379707284,-0.0051647660379707284,v0,FindHistory,18.3368729242,5.28208e-05,"[17.4181565808, 17.6015055975, 17.7848546141, 17.9682036307, 18.1515526474, 18.334901664, 18.5182506807, 18.7015996973, 18.884948713900002, 19.0682977306, 19.2516467472]" +30,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Nb,"[-10.06613633, -10.07615106, -10.08375935, -10.08904781, -10.09215747, -10.09317865, -10.09221376, -10.08935028, -10.08468725, -10.07830483, -10.0702915]",PBE,18.337820029701,2.44095352778815e-05,22.0,1.0,0.008759390147779413,-0.008759390147779413,v0,FindHistory,18.3362137485,9.56418e-05,"[17.4185009749, 17.6018536167, 17.7852062585, 17.9685589004, 18.1519115422, 18.3352641841, 18.5186168259, 18.7019694678, 18.8853221096, 19.0686747514, 19.2520273933]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ni,"[-5.4486265, -5.45553255, -5.46074702, -5.46437398, -5.46649816, -5.46720749, -5.46658321, -5.46470298, -5.46163518, -5.4574519, -5.45222068]",PBE,195.734612400755,0.0147595465727924,62.0,1.0,0.06487368354914905,0.06487368354914905,B,FindHistory,195.86159265380002,0.0375553862,"[10.3351027688, 10.4438933242, 10.5526838797, 10.6614744352, 10.7702649906, 10.8790555461, 10.9878461015, 11.096636657, 11.2054272125, 11.3142177679, 11.4230083234]" +1,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ni,"[-5.44869476, -5.45558293, -5.46078027, -5.4643872, -5.4664963, -5.4671929200000005, -5.46655461, -5.46466596, -5.4615917, -5.45740331, -5.45216893]",PBE,195.734612400755,0.0147595465727924,56.0,1.0,0.04639117938378719,-0.04639117938378719,B,FindHistory,195.6438088056,0.0310339661,"[10.3358298231, 10.4446280317, 10.5534262404, 10.6622244491, 10.7710226577, 10.8798208664, 10.9886190751, 11.0974172837, 11.2062154924, 11.3150137011, 11.4238119097]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ni,"[-5.519095, -5.5259371900000005, -5.53098299, -5.5344387600000005, -5.53634065, -5.53681149, -5.53592749, -5.5337551, -5.53037064, -5.52579707, -5.52017769]",PBE,195.734612400755,0.0147595465727924,4.0,1.0,4.418226021383864,4.418226021383864,B,FindHistory,204.3826099787,0.1524126907,"[10.2305864892, 10.3382768733, 10.4459672574, 10.5536576415, 10.6613480256, 10.7690384097, 10.8767287938, 10.9844191778, 11.0921095619, 11.199799946, 11.3074903301]" +3,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ni,"[-5.45106839, -5.4582625700000005, -5.46371697, -5.46753157, -5.46981921, -5.47067063, -5.4701891, -5.46844562, -5.46550185, -5.46143328, -5.45630255]",PBE,195.734612400755,0.0147595465727924,12.0,1.0,0.707515389209546,0.707515389209546,B,FindHistory,197.1194649055,0.0805633342,"[10.328256116, 10.4369746014, 10.5456930868, 10.6544115723, 10.7631300577, 10.8718485431, 10.9805670286, 11.089285514, 11.198003999400001, 11.3067224848, 11.4154409703]" +4,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ni,"[-5.44869727, -5.45558572, -5.46078799, -5.46439459, -5.4665028, -5.46719874, -5.46655956, -5.46466845, -5.46159495, -5.45740371, -5.45216133]",PBE,195.734612400755,0.0147595465727924,70.0,1.0,0.006638943560160714,0.006638943560160714,B,FindHistory,195.74760711119998,0.022122325,"[10.3359678804, 10.4447675423, 10.5535672042, 10.6623668661, 10.771166528, 10.8799661899, 10.9887658518, 11.0975655137, 11.2063651756, 11.3151648375, 11.4239644994]" +5,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ni,"[-5.44861355, -5.45551199, -5.46072282, -5.46434695, -5.46646985, -5.46717865, -5.46655375, -5.46467537, -5.46160967, -5.45743277, -5.45220071]",PBE,195.734612400755,0.0147595465727924,44.0,1.0,0.010319058958075328,-0.010319058958075328,B,FindHistory,195.7144144307,0.035409152,"[10.3349023989, 10.4436908452, 10.5524792915, 10.6612677378, 10.7700561841, 10.8788446304, 10.9876330767, 11.096421523, 11.2052099693, 11.3139984156, 11.4227868619]" +6,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ni,"[-5.44865772, -5.45556046, -5.46077139, -5.46439065, -5.4665142, -5.46721907, -5.46659218, -5.46471107, -5.46163825, -5.4574532399999995, -5.45222037]",PBE,195.734612400755,0.0147595465727924,48.0,1.0,0.05301100693042469,0.05301100693042469,B,FindHistory,195.8383732897,0.0380094242,"[10.3353347144, 10.4441277114, 10.5529207084, 10.6617137054, 10.7705067024, 10.8792996994, 10.9880926963, 11.0968856933, 11.2056786903, 11.3144716873, 11.4232646843]" +7,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ni,"[-5.44865938, -5.45554846, -5.46076021, -5.46438338, -5.4665017, -5.46720405, -5.46657373, -5.46468581, -5.46161559, -5.45742457, -5.45218275]",PBE,195.734612400755,0.0147595465727924,38.0,1.0,0.08443524751086423,0.08443524751086423,B,FindHistory,195.8998814052,0.049788472,"[10.3359947166, 10.444794661, 10.5535946054, 10.6623945498, 10.7711944942, 10.8799944386, 10.988794383, 11.0975943273, 11.2063942717, 11.3151942161, 11.4239941605]" +8,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ni,"[-5.44895485, -5.45587047, -5.46109787, -5.46473124, -5.46686404, -5.46758715, -5.46697351, -5.46510196, -5.46205012, -5.45787682, -5.45264421]",PBE,195.734612400755,0.0147595465727924,20.0,1.0,0.06520289047482397,0.06520289047482397,B,FindHistory,195.86223702569998,0.0167554675,"[10.3325545652, 10.4413182975, 10.5500820298, 10.658845762, 10.7676094943, 10.8763732266, 10.9851369588, 11.0939006911, 11.2026644234, 11.3114281556, 11.4201918879]" +9,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ni,"[-5.44848269, -5.45540238, -5.46062985, -5.46426414, -5.46639934, -5.46711443, -5.46649862, -5.46462813, -5.46156521, -5.45738635, -5.45215805]",PBE,195.734612400755,0.0147595465727924,22.0,1.0,0.1141702908361857,0.1141702908361857,B,FindHistory,195.95808317700002,0.029616327100000006,"[10.3341066874, 10.4428867578, 10.5516668282, 10.6604468986, 10.769226969, 10.8780070394, 10.9867871098, 11.0955671802, 11.2043472506, 11.313127321, 11.4219073914]" +10,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ni,"[-5.44865352, -5.45554655, -5.46075015, -5.46437004, -5.46648872, -5.46719375, -5.46656717, -5.46468509, -5.46162003, -5.45743398, -5.45219784]",PBE,195.734612400755,0.0147595465727924,52.0,1.0,0.01461713327249008,-0.01461713327249008,B,FindHistory,195.7060016116,0.0273871296,"[10.3354991011, 10.4442938285, 10.5530885559, 10.6618832832, 10.7706780106, 10.879472738, 10.9882674654, 11.0970621928, 11.2058569201, 11.3146516475, 11.4234463749]" +11,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ni,"[-5.43904243, -5.44603007, -5.45133592, -5.45503585, -5.45722305, -5.45799524, -5.4574281, -5.4556053, -5.45258547, -5.44844484, -5.44314328]",PBE,195.734612400755,0.0147595465727924,8.0,1.0,0.5849659984513739,0.5849659984513739,B,FindHistory,196.8795933305,0.18841772980000002,"[10.336036303, 10.4448366851, 10.5536370673, 10.6624374494, 10.7712378316, 10.8800382137, 10.9888385958, 11.097638978, 11.2064393601, 11.3152397422, 11.4240401244]" +12,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ni,"[-5.44858095, -5.45552166, -5.46076667, -5.46441883, -5.46656101, -5.46729369, -5.46668778, -5.46482023, -5.4617732199999995, -5.4576083, -5.4523867]",PBE,195.734612400755,0.0147595465727924,24.0,1.0,0.1339890573916655,0.1339890573916655,B,FindHistory,195.9968753629,0.0286965295,"[10.334357737, 10.44314045, 10.551923163, 10.660705876, 10.7694885891, 10.8782713021, 10.9870540151, 11.0958367281, 11.2046194412, 11.3134021542, 11.4221848672]" +13,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ni,"[-5.44870316, -5.45558398, -5.46078164, -5.46438607, -5.4664952, -5.4671924, -5.46656623, -5.46468375, -5.46161506, -5.45742798, -5.45219268]",PBE,195.734612400755,0.0147595465727924,40.0,1.0,0.1231510290890524,-0.1231510290890524,B,FindHistory,195.4935632113,0.0204643925,"[10.3359570535, 10.4447566015, 10.5535561494, 10.6623556973, 10.7711552453, 10.8799547932, 10.9887543411, 11.0975538891, 11.206353437, 11.3151529849, 11.4239525329]" +14,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ni,"[-5.44864277, -5.45554158, -5.46076057, -5.46439792, -5.46655724, -5.46729739, -5.46669879, -5.46483567, -5.46178818, -5.45762154, -5.45240097]",PBE,195.734612400755,0.0147595465727924,26.0,1.0,0.047845799323037515,-0.047845799323037515,B,FindHistory,195.6409616109,0.07960662,"[10.3347278452, 10.4435144541, 10.552301063, 10.6610876719, 10.7698742808, 10.8786608897, 10.9874474986, 11.0962341075, 11.2050207164, 11.3138073253, 11.4225939342]" +15,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ni,"[-5.44863701, -5.4555333, -5.4607505, -5.46437014, -5.46648667, -5.46719388, -5.46656962, -5.46468596, -5.4616199, -5.45743592, -5.45219739]",PBE,195.734612400755,0.0147595465727924,50.0,1.0,0.03632229669193957,0.03632229669193957,B,FindHistory,195.80570770740002,0.027809989500000003,"[10.3354008876, 10.4441945812, 10.5529882747, 10.6617819683, 10.7705756618, 10.8793693554, 10.9881630489, 11.0969567425, 11.205750436, 11.3145441296, 11.4233378232]" +16,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ni,"[-5.44860021, -5.45549014, -5.46069127, -5.46430107, -5.46641046, -5.46711344, -5.46648491, -5.46460274, -5.46154621, -5.4573895199999995, -5.4521709]",PBE,195.734612400755,0.0147595465727924,28.0,1.0,0.2949763742719446,-0.2949763742719446,B,FindHistory,195.1572415379,0.0374469843,"[10.335267604, 10.4440598946, 10.5528521852, 10.6616444757, 10.7704367663, 10.8792290569, 10.9880213474, 11.096813638, 11.2056059286, 11.3143982191, 11.4231905097]" +17,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ni,"[-5.44863436, -5.45552794, -5.46074246, -5.46436287, -5.46648414, -5.46719285, -5.46656823, -5.46468895, -5.46162712, -5.45744372, -5.45220971]",PBE,195.734612400755,0.0147595465727924,64.0,1.0,0.006113926049257261,-0.006113926049257261,B,FindHistory,195.72264533130001,0.0294904452,"[10.3351705621, 10.4439618311, 10.5527531002, 10.6615443693, 10.7703356384, 10.8791269074, 10.9879181765, 11.0967094456, 11.2055007147, 11.3142919837, 11.4230832528]" +18,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ni,"[-5.4486431, -5.45553921, -5.46075314, -5.46437296, -5.46649199, -5.46720041, -5.46657767, -5.46470286, -5.4616441, -5.45746661, -5.45223509]",PBE,195.734612400755,0.0147595465727924,54.0,1.0,0.06780966029822093,-0.06780966029822093,B,FindHistory,195.601885425,0.0187060039,"[10.3349954834, 10.4437849095, 10.5525743357, 10.6613637618, 10.770153188, 10.8789426141, 10.987732040200001, 11.0965214664, 11.2053108925, 11.3141003187, 11.4228897448]" +19,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ni,"[-5.4477692300000005, -5.45467114, -5.45988602, -5.46351205, -5.46564778, -5.46637395, -5.46576835, -5.46391495, -5.46087181, -5.45671972, -5.45151615]",PBE,195.734612400755,0.0147595465727924,16.0,1.0,0.29739370544397353,-0.29739370544397353,B,FindHistory,195.1525099841,0.0245136075,"[10.333176181, 10.4419464566, 10.5507167322, 10.6594870078, 10.7682572833, 10.8770275589, 10.9857978345, 11.0945681101, 11.2033383857, 11.3121086613, 11.4208789369]" +20,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ni,"[-5.44868424, -5.45557775, -5.46078005, -5.46439071, -5.46650494, -5.46720147, -5.46656712, -5.46467743, -5.46160512, -5.45741434, -5.45217766]",PBE,195.734612400755,0.0147595465727924,60.0,1.0,0.012759695354156846,0.012759695354156846,B,FindHistory,195.75958754099997,0.0299408697,"[10.335784954, 10.4445826904, 10.5533804268, 10.6621781631, 10.7709758995, 10.8797736358, 10.9885713722, 11.0973691085, 11.2061668449, 11.3149645813, 11.4237623176]" +21,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ni,"[-5.44866627, -5.45557103, -5.46078874, -5.46441154, -5.4665342, -5.46723896, -5.46661048, -5.46472812, -5.46166059, -5.45747474, -5.45224007]",PBE,195.734612400755,0.0147595465727924,32.0,1.0,0.0844859473839153,0.0844859473839153,B,FindHistory,195.8999806424,0.0316934635,"[10.3349235085, 10.443712177, 10.5525008455, 10.661289514, 10.7700781825, 10.8788668511, 10.9876555196, 11.0964441881, 11.2052328566, 11.3140215251, 11.4228101936]" +22,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ni,"[-5.44867858, -5.45556931, -5.4607707, -5.46438312, -5.46649538, -5.46719198, -5.46655733, -5.4646681, -5.46159661, -5.45740628, -5.4521671]",PBE,195.734612400755,0.0147595465727924,58.0,1.0,0.006998961541327069,0.006998961541327069,B,FindHistory,195.748311791,0.0274457421,"[10.3357699073, 10.4445674852, 10.5533650632, 10.6621626412, 10.770960219100001, 10.8797577971, 10.9885553751, 11.097352953, 11.206150531, 11.314948109, 11.423745687]" +23,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ni,"[-5.44862328, -5.45552248, -5.46074146, -5.46436404, -5.46648475, -5.46719139, -5.46657094, -5.46468976, -5.4616284, -5.4574546999999995, -5.45223209]",PBE,195.734612400755,0.0147595465727924,42.0,1.0,0.05132588371714146,-0.05132588371714146,B,FindHistory,195.6341498812,0.0412673199,"[10.3347472183, 10.4435340311, 10.5523208439, 10.6611076567, 10.7698944696, 10.8786812824, 10.9874680952, 11.096254908, 11.2050417208, 11.3138285337, 11.4226153465]" +24,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ni,"[-5.4486535400000005, -5.45555136, -5.46076547, -5.46438227, -5.46650322, -5.46720543, -5.46657616, -5.46469048, -5.4616212, -5.45743004, -5.45218636]",PBE,195.734612400755,0.0147595465727924,36.0,1.0,0.09426198212059708,0.09426198212059708,B,FindHistory,195.91911572610002,0.024622906200000003,"[10.3357241931, 10.4445212899, 10.5533183866, 10.662115483400001, 10.7709125802, 10.879709677, 10.9885067737, 11.0973038705, 11.2061009673, 11.314898064, 11.4236951608]" +25,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ni,"[-5.44922209, -5.45635766, -5.46179038, -5.46561625, -5.46792392, -5.46880459, -5.46834674, -5.46661796, -5.46369584, -5.45965204, -5.45454682]",PBE,195.734612400755,0.0147595465727924,10.0,1.0,0.303034941684504,0.303034941684504,B,FindHistory,196.32775666930002,0.0314668864,"[10.329802971, 10.4385377392, 10.5472725073, 10.6560072754, 10.7647420435, 10.8734768116, 10.9822115797, 11.0909463479, 11.199681116, 11.3084158841, 11.4171506522]" +26,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ni,"[-5.44768516, -5.45461048, -5.45985135, -5.4635197, -5.46569081, -5.46645852, -5.4659021899999995, -5.46409361, -5.46111713, -5.45709056, -5.45208029]",PBE,195.734612400755,0.0147595465727924,14.0,1.0,1.524785415695579,-1.524785415695579,B,FindHistory,192.75007957740002,0.23740305260000005,"[10.3322124779, 10.4409726092, 10.5497327406, 10.6584928719, 10.7672530033, 10.8760131346, 10.984773266, 11.0935333973, 11.2022935287, 11.31105366, 11.4198137914]" +27,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ni,"[-5.44853509, -5.45543885, -5.46065326, -5.46427615, -5.46639553, -5.46710285, -5.46648112, -5.46460048, -5.46154392, -5.45736983, -5.45214407]",PBE,195.734612400755,0.0147595465727924,30.0,1.0,0.06194989882869836,-0.06194989882869836,B,FindHistory,195.61335500639998,0.0232446581,"[10.3343993005, 10.443182451, 10.551965601500001, 10.6607487521, 10.7695319026, 10.8783150531, 10.9870982037, 11.0958813542, 11.2046645047, 11.3134476553, 11.4222308058]" +28,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ni,"[-5.46990382, -5.4769731, -5.48228589, -5.48599752, -5.4882054, -5.48896004, -5.48834756, -5.48648033, -5.4834015, -5.47917073, -5.47390179]",PBE,195.734612400755,0.0147595465727924,6.0,1.0,1.9797775299500675,1.9797775299500675,B,FindHistory,199.6097222754,0.1052351184,"[10.2894019599, 10.3977114542, 10.5060209485, 10.6143304428, 10.7226399371, 10.8309494315, 10.9392589258, 11.0475684201, 11.1558779144, 11.2641874087, 11.372496903]" +29,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ni,"[-5.44870286, -5.45558973, -5.46079065, -5.46439659, -5.46650216, -5.46720095, -5.46656603, -5.46467461, -5.46160026, -5.45740913, -5.45216804]",PBE,195.734612400755,0.0147595465727924,68.0,1.0,0.011234632079262214,-0.011234632079262214,B,FindHistory,195.7126223372,0.021876103900000003,"[10.3359648751, 10.4447645054, 10.5535641357, 10.6623637659, 10.7711633962, 10.8799630265, 10.9887626567, 11.097562287, 11.2063619173, 11.3151615475, 11.4239611778]" +30,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ni,"[-5.44865242, -5.45555464, -5.46076453, -5.46438863, -5.46650774, -5.46721345, -5.46658665, -5.46470657, -5.46163736, -5.45745667, -5.45221807]",PBE,195.734612400755,0.0147595465727924,46.0,1.0,0.0376702446443392,0.0376702446443392,B,FindHistory,195.8083461081,0.0253476415,"[10.3352227946, 10.4440146135, 10.5528064324, 10.6615982513, 10.7703900702, 10.8791818891, 10.987973708, 11.0967655269, 11.2055573458, 11.3143491647, 11.4231409835]" +31,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ni,"[-5.44864567, -5.45554313, -5.4607503, -5.4643692, -5.46648859, -5.46719688, -5.46657409, -5.46469109, -5.4616248800000005, -5.45744085, -5.45220808]",PBE,195.734612400755,0.0147595465727924,66.0,1.0,0.0068043612172918,-0.0068043612172918,B,FindHistory,195.72129391069998,0.0288526988,"[10.3352776878, 10.4440700845, 10.5528624812, 10.6616548779, 10.7704472746, 10.8792396714, 10.9880320681, 11.0968244648, 11.2056168615, 11.3144092582, 11.4232016549]" +32,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ni,"[-5.44903718, -5.45594551, -5.46116037, -5.46479192, -5.46692393, -5.46764094, -5.46702461, -5.46515278, -5.46210105, -5.45793089, -5.45270713]",PBE,195.734612400755,0.0147595465727924,18.0,1.0,0.038570342377875974,-0.038570342377875974,B,FindHistory,195.65911689060002,0.0311333724,"[10.3323562443, 10.4411178889, 10.5498795336, 10.6586411783, 10.767402823, 10.8761644676, 10.9849261123, 11.093687757, 11.2024494017, 11.3112110463, 11.419972691]" +33,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ni,"[-5.44870088, -5.45560577, -5.46081713, -5.4644397399999995, -5.46656154, -5.46726399, -5.4666381, -5.46475272, -5.46168504, -5.45749902, -5.45226203]",PBE,195.734612400755,0.0147595465727924,34.0,1.0,0.07481326273822804,0.07481326273822804,B,FindHistory,195.88104785060003,0.0279060105,"[10.3349271004, 10.4437158068, 10.5525045131, 10.661293219400001, 10.7700819257, 10.878870632, 10.9876593384, 11.0964480447, 11.205236751, 11.3140254573, 11.4228141636]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ni,"[-5.4486265, -5.45553255, -5.46074702, -5.46437398, -5.46649816, -5.46720749, -5.46658321, -5.46470298, -5.46163518, -5.4574519, -5.45222068]",PBE,-5.467195402435171,1.83813042265116e-06,62.0,1.0,-0.00017417824182539173,0.00017417824182539173,E0,FindHistory,-5.4672049251,1.6688e-06,"[10.3351027688, 10.4438933242, 10.5526838797, 10.6614744352, 10.7702649906, 10.8790555461, 10.9878461015, 11.096636657, 11.2054272125, 11.3142177679, 11.4230083234]" +1,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ni,"[-5.44869476, -5.45558293, -5.46078027, -5.4643872, -5.4664963, -5.4671929200000005, -5.46655461, -5.46466596, -5.4615917, -5.45740331, -5.45216893]",PBE,-5.467195402435171,1.83813042265116e-06,56.0,1.0,-0.00011044666831609431,-0.00011044666831609431,E0,FindHistory,-5.4671893640999984,1.3815e-06,"[10.3358298231, 10.4446280317, 10.5534262404, 10.6622244491, 10.7710226577, 10.8798208664, 10.9886190751, 11.0974172837, 11.2062154924, 11.3150137011, 11.4238119097]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ni,"[-5.519095, -5.5259371900000005, -5.53098299, -5.5344387600000005, -5.53634065, -5.53681149, -5.53592749, -5.5337551, -5.53037064, -5.52579707, -5.52017769]",PBE,-5.467195402435171,1.83813042265116e-06,4.0,1.0,-1.2738656173475849,1.2738656173475849,E0,FindHistory,-5.5368401249,6.83e-06,"[10.2305864892, 10.3382768733, 10.4459672574, 10.5536576415, 10.6613480256, 10.7690384097, 10.8767287938, 10.9844191778, 11.0921095619, 11.199799946, 11.3074903301]" +3,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ni,"[-5.45106839, -5.4582625700000005, -5.46371697, -5.46753157, -5.46981921, -5.47067063, -5.4701891, -5.46844562, -5.46550185, -5.46143328, -5.45630255]",PBE,-5.467195402435171,1.83813042265116e-06,12.0,1.0,-0.0639691140958875,0.0639691140958875,E0,FindHistory,-5.4706927189,3.4838e-06,"[10.328256116, 10.4369746014, 10.5456930868, 10.6544115723, 10.7631300577, 10.8718485431, 10.9805670286, 11.089285514, 11.198003999400001, 11.3067224848, 11.4154409703]" +4,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ni,"[-5.44869727, -5.45558572, -5.46078799, -5.46439459, -5.4665028, -5.46719874, -5.46655956, -5.46466845, -5.46159495, -5.45740371, -5.45216133]",PBE,-5.467195402435171,1.83813042265116e-06,70.0,1.0,-1.1630548799327892e-05,1.1630548799327892e-05,E0,FindHistory,-5.4671960383,9.849e-07,"[10.3359678804, 10.4447675423, 10.5535672042, 10.6623668661, 10.771166528, 10.8799661899, 10.9887658518, 11.0975655137, 11.2063651756, 11.3151648375, 11.4239644994]" +5,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ni,"[-5.44865938, -5.45554846, -5.46076021, -5.46438338, -5.4665017, -5.46720405, -5.46657373, -5.46468581, -5.46161559, -5.45742457, -5.45218275]",PBE,-5.467195402435171,1.83813042265116e-06,38.0,1.0,-0.00010943938141853874,0.00010943938141853874,E0,FindHistory,-5.4672013857,2.2145e-06,"[10.3359947166, 10.444794661, 10.5535946054, 10.6623945498, 10.7711944942, 10.8799944386, 10.988794383, 11.0975943273, 11.2063942717, 11.3151942161, 11.4239941605]" +6,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ni,"[-5.44861355, -5.45551199, -5.46072282, -5.46434695, -5.46646985, -5.46717865, -5.46655375, -5.46467537, -5.46160967, -5.45743277, -5.45220071]",PBE,-5.467195402435171,1.83813042265116e-06,44.0,1.0,-0.00035969146378350903,-0.00035969146378350903,E0,FindHistory,-5.4671757374,1.5734999999999996e-06,"[10.3349023989, 10.4436908452, 10.5524792915, 10.6612677378, 10.7700561841, 10.8788446304, 10.9876330767, 11.096421523, 11.2052099693, 11.3139984156, 11.4227868619]" +7,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ni,"[-5.44865772, -5.45556046, -5.46077139, -5.46439065, -5.4665142, -5.46721907, -5.46659218, -5.46471107, -5.46163825, -5.4574532399999995, -5.45222037]",PBE,-5.467195402435171,1.83813042265116e-06,48.0,1.0,-0.00039465142986133326,0.00039465142986133326,E0,FindHistory,-5.4672169788,1.6898e-06,"[10.3353347144, 10.4441277114, 10.5529207084, 10.6617137054, 10.7705067024, 10.8792996994, 10.9880926963, 11.0968856933, 11.2056786903, 11.3144716873, 11.4232646843]" +8,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ni,"[-5.44895485, -5.45587047, -5.46109787, -5.46473124, -5.46686404, -5.46758715, -5.46697351, -5.46510196, -5.46205012, -5.45787682, -5.45264421]",PBE,-5.467195402435171,1.83813042265116e-06,20.0,1.0,-0.007131370586389391,0.007131370586389391,E0,FindHistory,-5.4675852884000005,7.431999999999998e-07,"[10.3325545652, 10.4413182975, 10.5500820298, 10.658845762, 10.7676094943, 10.8763732266, 10.9851369588, 11.0939006911, 11.2026644234, 11.3114281556, 11.4201918879]" +9,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ni,"[-5.44848269, -5.45540238, -5.46062985, -5.46426414, -5.46639934, -5.46711443, -5.46649862, -5.46462813, -5.46156521, -5.45738635, -5.45215805]",PBE,-5.467195402435171,1.83813042265116e-06,22.0,1.0,-0.0014847783771350606,-0.0014847783771350606,E0,FindHistory,-5.4671142267,1.3144e-06,"[10.3341066874, 10.4428867578, 10.5516668282, 10.6604468986, 10.769226969, 10.8780070394, 10.9867871098, 11.0955671802, 11.2043472506, 11.313127321, 11.4219073914]" +10,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ni,"[-5.44865352, -5.45554655, -5.46075015, -5.46437004, -5.46648872, -5.46719375, -5.46656717, -5.46468509, -5.46162003, -5.45743398, -5.45219784]",PBE,-5.467195402435171,1.83813042265116e-06,52.0,1.0,-6.135751376151635e-05,-6.135751376151635e-05,E0,FindHistory,-5.467192047899999,1.2177e-06,"[10.3354991011, 10.4442938285, 10.5530885559, 10.6618832832, 10.7706780106, 10.879472738, 10.9882674654, 11.0970621928, 11.2058569201, 11.3146516475, 11.4234463749]" +11,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ni,"[-5.43904243, -5.44603007, -5.45133592, -5.45503585, -5.45722305, -5.45799524, -5.4574281, -5.4556053, -5.45258547, -5.44844484, -5.44314328]",PBE,-5.467195402435171,1.83813042265116e-06,8.0,1.0,-0.16803819067960515,-0.16803819067960515,E0,FindHistory,-5.4580084262,8.298900000000001e-06,"[10.336036303, 10.4448366851, 10.5536370673, 10.6624374494, 10.7712378316, 10.8800382137, 10.9888385958, 11.097638978, 11.2064393601, 11.3152397422, 11.4240401244]" +12,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ni,"[-5.44858095, -5.45552166, -5.46076667, -5.46441883, -5.46656101, -5.46729369, -5.46668778, -5.46482023, -5.4617732199999995, -5.4576083, -5.4523867]",PBE,-5.467195402435171,1.83813042265116e-06,24.0,1.0,-0.0017508458685524583,0.0017508458685524583,E0,FindHistory,-5.4672911246,1.2714e-06,"[10.334357737, 10.44314045, 10.551923163, 10.660705876, 10.7694885891, 10.8782713021, 10.9870540151, 11.0958367281, 11.2046194412, 11.3134021542, 11.4221848672]" +13,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ni,"[-5.44870316, -5.45558398, -5.46078164, -5.46438607, -5.4664952, -5.4671924, -5.46656623, -5.46468375, -5.46161506, -5.45742798, -5.45219268]",PBE,-5.467195402435171,1.83813042265116e-06,40.0,1.0,-1.1617202669435363e-05,-1.1617202669435363e-05,E0,FindHistory,-5.4671947673000005,9.106e-07,"[10.3359570535, 10.4447566015, 10.5535561494, 10.6623556973, 10.7711552453, 10.8799547932, 10.9887543411, 11.0975538891, 11.206353437, 11.3151529849, 11.4239525329]" +14,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ni,"[-5.44863701, -5.4555333, -5.4607505, -5.46437014, -5.46648667, -5.46719388, -5.46656962, -5.46468596, -5.4616199, -5.45743592, -5.45219739]",PBE,-5.467195402435171,1.83813042265116e-06,50.0,1.0,-3.694646015811443e-05,-3.694646015811443e-05,E0,FindHistory,-5.4671933825,1.2363e-06,"[10.3354008876, 10.4441945812, 10.5529882747, 10.6617819683, 10.7705756618, 10.8793693554, 10.9881630489, 11.0969567425, 11.205750436, 11.3145441296, 11.4233378232]" +15,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ni,"[-5.44864277, -5.45554158, -5.46076057, -5.46439792, -5.46655724, -5.46729739, -5.46669879, -5.46483567, -5.46178818, -5.45762154, -5.45240097]",PBE,-5.467195402435171,1.83813042265116e-06,26.0,1.0,-0.001717333256237517,0.001717333256237517,E0,FindHistory,-5.4672892924,3.5259e-06,"[10.3347278452, 10.4435144541, 10.552301063, 10.6610876719, 10.7698742808, 10.8786608897, 10.9874474986, 11.0962341075, 11.2050207164, 11.3138073253, 11.4225939342]" +16,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ni,"[-5.44860021, -5.45549014, -5.46069127, -5.46430107, -5.46641046, -5.46711344, -5.46648491, -5.46460274, -5.46154621, -5.4573895199999995, -5.4521709]",PBE,-5.467195402435171,1.83813042265116e-06,28.0,1.0,-0.0015642889795226677,-0.0015642889795226677,E0,FindHistory,-5.4671098797000015,1.6648e-06,"[10.335267604, 10.4440598946, 10.5528521852, 10.6616444757, 10.7704367663, 10.8792290569, 10.9880213474, 11.096813638, 11.2056059286, 11.3143982191, 11.4231905097]" +17,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ni,"[-5.44863436, -5.45552794, -5.46074246, -5.46436287, -5.46648414, -5.46719285, -5.46656823, -5.46468895, -5.46162712, -5.45744372, -5.45220971]",PBE,-5.467195402435171,1.83813042265116e-06,64.0,1.0,-8.016606043373876e-05,-8.016606043373876e-05,E0,FindHistory,-5.4671910196,1.3106e-06,"[10.3351705621, 10.4439618311, 10.5527531002, 10.6615443693, 10.7703356384, 10.8791269074, 10.9879181765, 11.0967094456, 11.2055007147, 11.3142919837, 11.4230832528]" +18,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ni,"[-5.4477692300000005, -5.45467114, -5.45988602, -5.46351205, -5.46564778, -5.46637395, -5.46576835, -5.46391495, -5.46087181, -5.45671972, -5.45151615]",PBE,-5.467195402435171,1.83813042265116e-06,16.0,1.0,-0.015055588369933669,-0.015055588369933669,E0,FindHistory,-5.466372284,1.0864e-06,"[10.333176181, 10.4419464566, 10.5507167322, 10.6594870078, 10.7682572833, 10.8770275589, 10.9857978345, 11.0945681101, 11.2033383857, 11.3121086613, 11.4208789369]" +19,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ni,"[-5.4486431, -5.45553921, -5.46075314, -5.46437296, -5.46649199, -5.46720041, -5.46657767, -5.46470286, -5.4616441, -5.45746661, -5.45223509]",PBE,-5.467195402435171,1.83813042265116e-06,54.0,1.0,-9.214349329903948e-05,9.214349329903948e-05,E0,FindHistory,-5.4672004401,8.311000000000002e-07,"[10.3349954834, 10.4437849095, 10.5525743357, 10.6613637618, 10.770153188, 10.8789426141, 10.987732040200001, 11.0965214664, 11.2053108925, 11.3141003187, 11.4228897448]" +20,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ni,"[-5.44868424, -5.45557775, -5.46078005, -5.46439071, -5.46650494, -5.46720147, -5.46656712, -5.46467743, -5.46160512, -5.45741434, -5.45217766]",PBE,-5.467195402435171,1.83813042265116e-06,60.0,1.0,-7.27276882698936e-05,7.27276882698936e-05,E0,FindHistory,-5.4671993786,1.3325e-06,"[10.335784954, 10.4445826904, 10.5533804268, 10.6621781631, 10.7709758995, 10.8797736358, 10.9885713722, 11.0973691085, 11.2061668449, 11.3149645813, 11.4237623176]" +21,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ni,"[-5.44866627, -5.45557103, -5.46078874, -5.46441154, -5.4665342, -5.46723896, -5.46661048, -5.46472812, -5.46166059, -5.45747474, -5.45224007]",PBE,-5.467195402435171,1.83813042265116e-06,32.0,1.0,-0.0007601313245382323,0.0007601313245382323,E0,FindHistory,-5.467236960299998,1.4088e-06,"[10.3349235085, 10.443712177, 10.5525008455, 10.661289514, 10.7700781825, 10.8788668511, 10.9876555196, 11.0964441881, 11.2052328566, 11.3140215251, 11.4228101936]" +22,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ni,"[-5.44867858, -5.45556931, -5.4607707, -5.46438312, -5.46649538, -5.46719198, -5.46655733, -5.4646681, -5.46159661, -5.45740628, -5.4521671]",PBE,-5.467195402435171,1.83813042265116e-06,58.0,1.0,-9.62821846110355e-05,-9.62821846110355e-05,E0,FindHistory,-5.4671901385,1.2215e-06,"[10.3357699073, 10.4445674852, 10.5533650632, 10.6621626412, 10.770960219100001, 10.8797577971, 10.9885553751, 11.097352953, 11.206150531, 11.314948109, 11.423745687]" +23,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ni,"[-5.44862328, -5.45552248, -5.46074146, -5.46436404, -5.46648475, -5.46719139, -5.46657094, -5.46468976, -5.4616284, -5.4574546999999995, -5.45223209]",PBE,-5.467195402435171,1.83813042265116e-06,42.0,1.0,-8.964989925971836e-05,-8.964989925971836e-05,E0,FindHistory,-5.4671905011,1.8335e-06,"[10.3347472183, 10.4435340311, 10.5523208439, 10.6611076567, 10.7698944696, 10.8786812824, 10.9874680952, 11.096254908, 11.2050417208, 11.3138285337, 11.4226153465]" +24,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ni,"[-5.44922209, -5.45635766, -5.46179038, -5.46561625, -5.46792392, -5.46880459, -5.46834674, -5.46661796, -5.46369584, -5.45965204, -5.45454682]",PBE,-5.467195402435171,1.83813042265116e-06,10.0,1.0,-0.029698789695837516,0.029698789695837516,E0,FindHistory,-5.4688190933000005,1.3555000000000002e-06,"[10.329802971, 10.4385377392, 10.5472725073, 10.6560072754, 10.7647420435, 10.8734768116, 10.9822115797, 11.0909463479, 11.199681116, 11.3084158841, 11.4171506522]" +25,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ni,"[-5.4486535400000005, -5.45555136, -5.46076547, -5.46438227, -5.46650322, -5.46720543, -5.46657616, -5.46469048, -5.4616212, -5.45743004, -5.45218636]",PBE,-5.467195402435171,1.83813042265116e-06,36.0,1.0,-0.0001651059485621568,0.0001651059485621568,E0,FindHistory,-5.4672044291,1.0951000000000001e-06,"[10.3357241931, 10.4445212899, 10.5533183866, 10.662115483400001, 10.7709125802, 10.879709677, 10.9885067737, 11.0973038705, 11.2061009673, 11.314898064, 11.4236951608]" +26,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ni,"[-5.44768516, -5.45461048, -5.45985135, -5.4635197, -5.46569081, -5.46645852, -5.4659021899999995, -5.46409361, -5.46111713, -5.45709056, -5.45208029]",PBE,-5.467195402435171,1.83813042265116e-06,14.0,1.0,-0.013784748480627622,-0.013784748480627622,E0,FindHistory,-5.466441763300001,1.04251e-05,"[10.3322124779, 10.4409726092, 10.5497327406, 10.6584928719, 10.7672530033, 10.8760131346, 10.984773266, 11.0935333973, 11.2022935287, 11.31105366, 11.4198137914]" +27,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ni,"[-5.44865242, -5.45555464, -5.46076453, -5.46438863, -5.46650774, -5.46721345, -5.46658665, -5.46470657, -5.46163736, -5.45745667, -5.45221807]",PBE,-5.467195402435171,1.83813042265116e-06,46.0,1.0,-0.0003078884801084991,0.0003078884801084991,E0,FindHistory,-5.4672122353,1.1268000000000002e-06,"[10.3352227946, 10.4440146135, 10.5528064324, 10.6615982513, 10.7703900702, 10.8791818891, 10.987973708, 11.0967655269, 11.2055573458, 11.3143491647, 11.4231409835]" +28,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ni,"[-5.44853509, -5.45543885, -5.46065326, -5.46427615, -5.46639553, -5.46710285, -5.46648112, -5.46460048, -5.46154392, -5.45736983, -5.45214407]",PBE,-5.467195402435171,1.83813042265116e-06,30.0,1.0,-0.0017062520781428352,-0.0017062520781428352,E0,FindHistory,-5.467102118300001,1.0327e-06,"[10.3343993005, 10.443182451, 10.551965601500001, 10.6607487521, 10.7695319026, 10.8783150531, 10.9870982037, 11.0958813542, 11.2046645047, 11.3134476553, 11.4222308058]" +29,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ni,"[-5.46990382, -5.4769731, -5.48228589, -5.48599752, -5.4882054, -5.48896004, -5.48834756, -5.48648033, -5.4834015, -5.47917073, -5.47390179]",PBE,-5.467195402435171,1.83813042265116e-06,6.0,1.0,-0.39796952849239164,0.39796952849239164,E0,FindHistory,-5.4889531742,4.6324e-06,"[10.2894019599, 10.3977114542, 10.5060209485, 10.6143304428, 10.7226399371, 10.8309494315, 10.9392589258, 11.0475684201, 11.1558779144, 11.2641874087, 11.372496903]" +30,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ni,"[-5.44870286, -5.45558973, -5.46079065, -5.46439659, -5.46650216, -5.46720095, -5.46656603, -5.46467461, -5.46160026, -5.45740913, -5.45216804]",PBE,-5.467195402435171,1.83813042265116e-06,68.0,1.0,-6.66276685063447e-05,6.66276685063447e-05,E0,FindHistory,-5.4671990451,9.739000000000001e-07,"[10.3359648751, 10.4447645054, 10.5535641357, 10.6623637659, 10.7711633962, 10.8799630265, 10.9887626567, 11.097562287, 11.2063619173, 11.3151615475, 11.4239611778]" +31,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ni,"[-5.44864567, -5.45554313, -5.4607503, -5.4643692, -5.46648859, -5.46719688, -5.46657409, -5.46469109, -5.4616248800000005, -5.45744085, -5.45220808]",PBE,-5.467195402435171,1.83813042265116e-06,66.0,1.0,-3.4704296576150846e-06,-3.4704296576150846e-06,E0,FindHistory,-5.4671952127,1.2826e-06,"[10.3352776878, 10.4440700845, 10.5528624812, 10.6616548779, 10.7704472746, 10.8792396714, 10.9880320681, 11.0968244648, 11.2056168615, 11.3144092582, 11.4232016549]" +32,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ni,"[-5.44903718, -5.45594551, -5.46116037, -5.46479192, -5.46692393, -5.46764094, -5.46702461, -5.46515278, -5.46210105, -5.45793089, -5.45270713]",PBE,-5.467195402435171,1.83813042265116e-06,18.0,1.0,-0.00809772712042222,0.00809772712042222,E0,FindHistory,-5.467638121,1.3813999999999998e-06,"[10.3323562443, 10.4411178889, 10.5498795336, 10.6586411783, 10.767402823, 10.8761644676, 10.9849261123, 11.093687757, 11.2024494017, 11.3112110463, 11.419972691]" +33,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ni,"[-5.44870088, -5.45560577, -5.46081713, -5.4644397399999995, -5.46656154, -5.46726399, -5.4666381, -5.46475272, -5.46168504, -5.45749902, -5.45226203]",PBE,-5.467195402435171,1.83813042265116e-06,34.0,1.0,-0.001243132169724549,0.001243132169724549,E0,FindHistory,-5.4672633669,1.2406999999999998e-06,"[10.3349271004, 10.4437158068, 10.5525045131, 10.661293219400001, 10.7700819257, 10.878870632, 10.9876593384, 11.0964480447, 11.205236751, 11.3140254573, 11.4228141636]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ni,"[-5.4486265, -5.45553255, -5.46074702, -5.46437398, -5.46649816, -5.46720749, -5.46658321, -5.46470298, -5.46163518, -5.4574519, -5.45222068]",PBE,4.907774692550361,0.0080599446375381,62.0,1.0,0.1953341799678011,-0.1953341799678011,dB,FindHistory,4.8981881311,0.0207437346,"[10.3351027688, 10.4438933242, 10.5526838797, 10.6614744352, 10.7702649906, 10.8790555461, 10.9878461015, 11.096636657, 11.2054272125, 11.3142177679, 11.4230083234]" +1,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ni,"[-5.44869476, -5.45558293, -5.46078027, -5.4643872, -5.4664963, -5.4671929200000005, -5.46655461, -5.46466596, -5.4615917, -5.45740331, -5.45216893]",PBE,4.907774692550361,0.0080599446375381,56.0,1.0,0.37091942662468197,0.37091942662468197,dB,FindHistory,4.9259785823,0.017201639600000002,"[10.3358298231, 10.4446280317, 10.5534262404, 10.6622244491, 10.7710226577, 10.8798208664, 10.9886190751, 11.0974172837, 11.2062154924, 11.3150137011, 11.4238119097]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ni,"[-5.519095, -5.5259371900000005, -5.53098299, -5.5344387600000005, -5.53634065, -5.53681149, -5.53592749, -5.5337551, -5.53037064, -5.52579707, -5.52017769]",PBE,4.907774692550361,0.0080599446375381,4.0,1.0,2.15425598308018,-2.15425598308018,dB,FindHistory,4.8020486626,0.0832427759,"[10.2305864892, 10.3382768733, 10.4459672574, 10.5536576415, 10.6613480256, 10.7690384097, 10.8767287938, 10.9844191778, 11.0921095619, 11.199799946, 11.3074903301]" +3,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ni,"[-5.45106839, -5.4582625700000005, -5.46371697, -5.46753157, -5.46981921, -5.47067063, -5.4701891, -5.46844562, -5.46550185, -5.46143328, -5.45630255]",PBE,4.907774692550361,0.0080599446375381,12.0,1.0,6.522278556012871,6.522278556012871,dB,FindHistory,5.2278734289,0.0425701916,"[10.328256116, 10.4369746014, 10.5456930868, 10.6544115723, 10.7631300577, 10.8718485431, 10.9805670286, 11.089285514, 11.198003999400001, 11.3067224848, 11.4154409703]" +4,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ni,"[-5.44869727, -5.45558572, -5.46078799, -5.46439459, -5.4665028, -5.46719874, -5.46655956, -5.46466845, -5.46159495, -5.45740371, -5.45216133]",PBE,4.907774692550361,0.0080599446375381,70.0,1.0,0.23506668851671458,0.23506668851671458,dB,FindHistory,4.919311236,0.0122575902,"[10.3359678804, 10.4447675423, 10.5535672042, 10.6623668661, 10.771166528, 10.8799661899, 10.9887658518, 11.0975655137, 11.2063651756, 11.3151648375, 11.4239644994]" +5,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ni,"[-5.44861355, -5.45551199, -5.46072282, -5.46434695, -5.46646985, -5.46717865, -5.46655375, -5.46467537, -5.46160967, -5.45743277, -5.45220071]",PBE,4.907774692550361,0.0080599446375381,44.0,1.0,0.3793892958986919,-0.3793892958986919,dB,FindHistory,4.8891551207,0.0195718193,"[10.3349023989, 10.4436908452, 10.5524792915, 10.6612677378, 10.7700561841, 10.8788446304, 10.9876330767, 11.096421523, 11.2052099693, 11.3139984156, 11.4227868619]" +6,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ni,"[-5.44865772, -5.45556046, -5.46077139, -5.46439065, -5.4665142, -5.46721907, -5.46659218, -5.46471107, -5.46163825, -5.4574532399999995, -5.45222037]",PBE,4.907774692550361,0.0080599446375381,48.0,1.0,0.20107499159120992,-0.20107499159120992,dB,FindHistory,4.897906385,0.0210084201,"[10.3353347144, 10.4441277114, 10.5529207084, 10.6617137054, 10.7705067024, 10.8792996994, 10.9880926963, 11.0968856933, 11.2056786903, 11.3144716873, 11.4232646843]" +7,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ni,"[-5.44865938, -5.45554846, -5.46076021, -5.46438338, -5.4665017, -5.46720405, -5.46657373, -5.46468581, -5.46161559, -5.45742457, -5.45218275]",PBE,4.907774692550361,0.0080599446375381,38.0,1.0,0.8376026106650477,-0.8376026106650477,dB,FindHistory,4.866667043600001,0.0275320475,"[10.3359947166, 10.444794661, 10.5535946054, 10.6623945498, 10.7711944942, 10.8799944386, 10.988794383, 11.0975943273, 11.2063942717, 11.3151942161, 11.4239941605]" +8,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ni,"[-5.44895485, -5.45587047, -5.46109787, -5.46473124, -5.46686404, -5.46758715, -5.46697351, -5.46510196, -5.46205012, -5.45787682, -5.45264421]",PBE,4.907774692550361,0.0080599446375381,20.0,1.0,0.8079075942615541,-0.8079075942615541,dB,FindHistory,4.8681244081,0.0092347388,"[10.3325545652, 10.4413182975, 10.5500820298, 10.658845762, 10.7676094943, 10.8763732266, 10.9851369588, 11.0939006911, 11.2026644234, 11.3114281556, 11.4201918879]" +9,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ni,"[-5.44848269, -5.45540238, -5.46062985, -5.46426414, -5.46639934, -5.46711443, -5.46649862, -5.46462813, -5.46156521, -5.45738635, -5.45215805]",PBE,4.907774692550361,0.0080599446375381,22.0,1.0,0.24036058477309913,-0.24036058477309913,dB,FindHistory,4.895978336600001,0.0163224606,"[10.3341066874, 10.4428867578, 10.5516668282, 10.6604468986, 10.769226969, 10.8780070394, 10.9867871098, 11.0955671802, 11.2043472506, 11.313127321, 11.4219073914]" +10,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ni,"[-5.44865352, -5.45554655, -5.46075015, -5.46437004, -5.46648872, -5.46719375, -5.46656717, -5.46468509, -5.46162003, -5.45743398, -5.45219784]",PBE,4.907774692550361,0.0080599446375381,52.0,1.0,0.9188349338613819,-0.9188349338613819,dB,FindHistory,4.8626803442,0.0151498365,"[10.3354991011, 10.4442938285, 10.5530885559, 10.6618832832, 10.7706780106, 10.879472738, 10.9882674654, 11.0970621928, 11.2058569201, 11.3146516475, 11.4234463749]" +11,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ni,"[-5.43904243, -5.44603007, -5.45133592, -5.45503585, -5.45722305, -5.45799524, -5.4574281, -5.4556053, -5.45258547, -5.44844484, -5.44314328]",PBE,4.907774692550361,0.0080599446375381,8.0,1.0,5.764833619599951,-5.764833619599951,dB,FindHistory,4.6248496471,0.1022894272,"[10.336036303, 10.4448366851, 10.5536370673, 10.6624374494, 10.7712378316, 10.8800382137, 10.9888385958, 11.097638978, 11.2064393601, 11.3152397422, 11.4240401244]" +12,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ni,"[-5.44858095, -5.45552166, -5.46076667, -5.46441883, -5.46656101, -5.46729369, -5.46668778, -5.46482023, -5.4617732199999995, -5.4576083, -5.4523867]",PBE,4.907774692550361,0.0080599446375381,24.0,1.0,0.5331870692711251,0.5331870692711251,dB,FindHistory,4.9339423126,0.0157723769,"[10.334357737, 10.44314045, 10.551923163, 10.660705876, 10.7694885891, 10.8782713021, 10.9870540151, 11.0958367281, 11.2046194412, 11.3134021542, 11.4221848672]" +13,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ni,"[-5.44870316, -5.45558398, -5.46078164, -5.46438607, -5.4664952, -5.4671924, -5.46656623, -5.46468375, -5.46161506, -5.45742798, -5.45219268]",PBE,4.907774692550361,0.0080599446375381,40.0,1.0,0.8628436756609866,-0.8628436756609866,dB,FindHistory,4.865428269,0.0113453528,"[10.3359570535, 10.4447566015, 10.5535561494, 10.6623556973, 10.7711552453, 10.8799547932, 10.9887543411, 11.0975538891, 11.206353437, 11.3151529849, 11.4239525329]" +14,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ni,"[-5.44864277, -5.45554158, -5.46076057, -5.46439792, -5.46655724, -5.46729739, -5.46669879, -5.46483567, -5.46178818, -5.45762154, -5.45240097]",PBE,4.907774692550361,0.0080599446375381,26.0,1.0,4.434221379002867,-4.434221379002867,dB,FindHistory,4.690153097900001,0.043829162699999986,"[10.3347278452, 10.4435144541, 10.552301063, 10.6610876719, 10.7698742808, 10.8786608897, 10.9874474986, 11.0962341075, 11.2050207164, 11.3138073253, 11.4225939342]" +15,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ni,"[-5.44863701, -5.4555333, -5.4607505, -5.46437014, -5.46648667, -5.46719388, -5.46656962, -5.46468596, -5.4616199, -5.45743592, -5.45219739]",PBE,4.907774692550361,0.0080599446375381,50.0,1.0,0.40578931181560846,-0.40578931181560846,dB,FindHistory,4.8878594674,0.0153745715,"[10.3354008876, 10.4441945812, 10.5529882747, 10.6617819683, 10.7705756618, 10.8793693554, 10.9881630489, 11.0969567425, 11.205750436, 11.3145441296, 11.4233378232]" +16,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ni,"[-5.44860021, -5.45549014, -5.46069127, -5.46430107, -5.46641046, -5.46711344, -5.46648491, -5.46460274, -5.46154621, -5.4573895199999995, -5.4521709]",PBE,4.907774692550361,0.0080599446375381,28.0,1.0,1.908565928909095,1.908565928909095,dB,FindHistory,5.0014428082,0.0207688085,"[10.335267604, 10.4440598946, 10.5528521852, 10.6616444757, 10.7704367663, 10.8792290569, 10.9880213474, 11.096813638, 11.2056059286, 11.3143982191, 11.4231905097]" +17,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ni,"[-5.44863436, -5.45552794, -5.46074246, -5.46436287, -5.46648414, -5.46719285, -5.46656823, -5.46468895, -5.46162712, -5.45744372, -5.45220971]",PBE,4.907774692550361,0.0080599446375381,64.0,1.0,0.757951847439642,-0.757951847439642,dB,FindHistory,4.8705761236,0.016302495900000002,"[10.3351705621, 10.4439618311, 10.5527531002, 10.6615443693, 10.7703356384, 10.8791269074, 10.9879181765, 11.0967094456, 11.2055007147, 11.3142919837, 11.4230832528]" +18,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ni,"[-5.4486431, -5.45553921, -5.46075314, -5.46437296, -5.46649199, -5.46720041, -5.46657767, -5.46470286, -5.4616441, -5.45746661, -5.45223509]",PBE,4.907774692550361,0.0080599446375381,54.0,1.0,0.33191949245524927,-0.33191949245524927,dB,FindHistory,4.891484831700001,0.0103445753,"[10.3349954834, 10.4437849095, 10.5525743357, 10.6613637618, 10.770153188, 10.8789426141, 10.987732040200001, 11.0965214664, 11.2053108925, 11.3141003187, 11.4228897448]" +19,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ni,"[-5.4477692300000005, -5.45467114, -5.45988602, -5.46351205, -5.46564778, -5.46637395, -5.46576835, -5.46391495, -5.46087181, -5.45671972, -5.45151615]",PBE,4.907774692550361,0.0080599446375381,16.0,1.0,0.7128884217824497,-0.7128884217824497,dB,FindHistory,4.872787735,0.0135402841,"[10.333176181, 10.4419464566, 10.5507167322, 10.6594870078, 10.7682572833, 10.8770275589, 10.9857978345, 11.0945681101, 11.2033383857, 11.3121086613, 11.4208789369]" +20,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ni,"[-5.44868424, -5.45557775, -5.46078005, -5.46439071, -5.46650494, -5.46720147, -5.46656712, -5.46467743, -5.46160512, -5.45741434, -5.45217766]",PBE,4.907774692550361,0.0080599446375381,60.0,1.0,0.19482694802907694,0.19482694802907694,dB,FindHistory,4.9173363602,0.0165815936,"[10.335784954, 10.4445826904, 10.5533804268, 10.6621781631, 10.7709758995, 10.8797736358, 10.9885713722, 11.0973691085, 11.2061668449, 11.3149645813, 11.4237623176]" +21,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ni,"[-5.44866627, -5.45557103, -5.46078874, -5.46441154, -5.4665342, -5.46723896, -5.46661048, -5.46472812, -5.46166059, -5.45747474, -5.45224007]",PBE,4.907774692550361,0.0080599446375381,32.0,1.0,0.24767342453780045,0.24767342453780045,dB,FindHistory,4.9199299462,0.017511561000000002,"[10.3349235085, 10.443712177, 10.5525008455, 10.661289514, 10.7700781825, 10.8788668511, 10.9876555196, 11.0964441881, 11.2052328566, 11.3140215251, 11.4228101936]" +22,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ni,"[-5.44862328, -5.45552248, -5.46074146, -5.46436404, -5.46648475, -5.46719139, -5.46657094, -5.46468976, -5.4616284, -5.4574546999999995, -5.45223209]",PBE,4.907774692550361,0.0080599446375381,42.0,1.0,0.7267240304200935,0.7267240304200935,dB,FindHistory,4.9434406706,0.0228154501,"[10.3347472183, 10.4435340311, 10.5523208439, 10.6611076567, 10.7698944696, 10.8786812824, 10.9874680952, 11.096254908, 11.2050417208, 11.3138285337, 11.4226153465]" +23,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ni,"[-5.44867858, -5.45556931, -5.4607707, -5.46438312, -5.46649538, -5.46719198, -5.46655733, -5.4646681, -5.46159661, -5.45740628, -5.4521671]",PBE,4.907774692550361,0.0080599446375381,58.0,1.0,0.011006734909424783,-0.011006734909424783,dB,FindHistory,4.9072345068,0.015199685,"[10.3357699073, 10.4445674852, 10.5533650632, 10.6621626412, 10.770960219100001, 10.8797577971, 10.9885553751, 11.097352953, 11.206150531, 11.314948109, 11.423745687]" +24,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ni,"[-5.4486535400000005, -5.45555136, -5.46076547, -5.46438227, -5.46650322, -5.46720543, -5.46657616, -5.46469048, -5.4616212, -5.45743004, -5.45218636]",PBE,4.907774692550361,0.0080599446375381,36.0,1.0,0.5870802156850393,-0.5870802156850393,dB,FindHistory,4.8789621183000005,0.0136114033,"[10.3357241931, 10.4445212899, 10.5533183866, 10.662115483400001, 10.7709125802, 10.879709677, 10.9885067737, 11.0973038705, 11.2061009673, 11.314898064, 11.4236951608]" +25,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ni,"[-5.44922209, -5.45635766, -5.46179038, -5.46561625, -5.46792392, -5.46880459, -5.46834674, -5.46661796, -5.46369584, -5.45965204, -5.45454682]",PBE,4.907774692550361,0.0080599446375381,10.0,1.0,0.7502441076916093,0.7502441076916093,dB,FindHistory,4.944594983,0.0166154447,"[10.329802971, 10.4385377392, 10.5472725073, 10.6560072754, 10.7647420435, 10.8734768116, 10.9822115797, 11.0909463479, 11.199681116, 11.3084158841, 11.4171506522]" +26,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ni,"[-5.44768516, -5.45461048, -5.45985135, -5.4635197, -5.46569081, -5.46645852, -5.4659021899999995, -5.46409361, -5.46111713, -5.45709056, -5.45208029]",PBE,4.907774692550361,0.0080599446375381,14.0,1.0,9.703544954345968,9.703544954345968,dB,FindHistory,5.3840028161,0.1309508627,"[10.3322124779, 10.4409726092, 10.5497327406, 10.6584928719, 10.7672530033, 10.8760131346, 10.984773266, 11.0935333973, 11.2022935287, 11.31105366, 11.4198137914]" +27,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ni,"[-5.44853509, -5.45543885, -5.46065326, -5.46427615, -5.46639553, -5.46710285, -5.46648112, -5.46460048, -5.46154392, -5.45736983, -5.45214407]",PBE,4.907774692550361,0.0080599446375381,30.0,1.0,0.7377220760479608,0.7377220760479608,dB,FindHistory,4.9439804299,0.0128522231,"[10.3343993005, 10.443182451, 10.551965601500001, 10.6607487521, 10.7695319026, 10.8783150531, 10.9870982037, 11.0958813542, 11.2046645047, 11.3134476553, 11.4222308058]" +28,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ni,"[-5.46990382, -5.4769731, -5.48228589, -5.48599752, -5.4882054, -5.48896004, -5.48834756, -5.48648033, -5.4834015, -5.47917073, -5.47390179]",PBE,4.907774692550361,0.0080599446375381,6.0,1.0,0.13461553482455127,-0.13461553482455127,dB,FindHistory,4.9011680654,0.056626324900000004,"[10.2894019599, 10.3977114542, 10.5060209485, 10.6143304428, 10.7226399371, 10.8309494315, 10.9392589258, 11.0475684201, 11.1558779144, 11.2641874087, 11.372496903]" +29,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ni,"[-5.44870286, -5.45558973, -5.46079065, -5.46439659, -5.46650216, -5.46720095, -5.46656603, -5.46467461, -5.46160026, -5.45740913, -5.45216804]",PBE,4.907774692550361,0.0080599446375381,68.0,1.0,0.14134350667911075,-0.14134350667911075,dB,FindHistory,4.9008378717,0.012122095,"[10.3359648751, 10.4447645054, 10.5535641357, 10.6623637659, 10.7711633962, 10.8799630265, 10.9887626567, 11.097562287, 11.2063619173, 11.3151615475, 11.4239611778]" +30,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ni,"[-5.44864567, -5.45554313, -5.4607503, -5.4643692, -5.46648859, -5.46719688, -5.46657409, -5.46469109, -5.4616248800000005, -5.45744085, -5.45220808]",PBE,4.907774692550361,0.0080599446375381,66.0,1.0,0.7204845080609386,-0.7204845080609386,dB,FindHistory,4.8724149362,0.015954430800000002,"[10.3352776878, 10.4440700845, 10.5528624812, 10.6616548779, 10.7704472746, 10.8792396714, 10.9880320681, 11.0968244648, 11.2056168615, 11.3144092582, 11.4232016549]" +31,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ni,"[-5.44865242, -5.45555464, -5.46076453, -5.46438863, -5.46650774, -5.46721345, -5.46658665, -5.46470657, -5.46163736, -5.45745667, -5.45221807]",PBE,4.907774692550361,0.0080599446375381,46.0,1.0,0.24555097585578006,-0.24555097585578006,dB,FindHistory,4.8957236039000005,0.014011590800000001,"[10.3352227946, 10.4440146135, 10.5528064324, 10.6615982513, 10.7703900702, 10.8791818891, 10.987973708, 11.0967655269, 11.2055573458, 11.3143491647, 11.4231409835]" +32,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ni,"[-5.44903718, -5.45594551, -5.46116037, -5.46479192, -5.46692393, -5.46764094, -5.46702461, -5.46515278, -5.46210105, -5.45793089, -5.45270713]",PBE,4.907774692550361,0.0080599446375381,18.0,1.0,0.45582602404952677,-0.45582602404952677,dB,FindHistory,4.8854037783,0.0171835295,"[10.3323562443, 10.4411178889, 10.5498795336, 10.6586411783, 10.767402823, 10.8761644676, 10.9849261123, 11.093687757, 11.2024494017, 11.3112110463, 11.419972691]" +33,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ni,"[-5.44870088, -5.45560577, -5.46081713, -5.4644397399999995, -5.46656154, -5.46726399, -5.4666381, -5.46475272, -5.46168504, -5.45749902, -5.45226203]",PBE,4.907774692550361,0.0080599446375381,34.0,1.0,0.009100347461279835,0.009100347461279835,dB,FindHistory,4.9082213171,0.0154220799,"[10.3349271004, 10.4437158068, 10.5525045131, 10.661293219400001, 10.7700819257, 10.878870632, 10.9876593384, 11.0964480447, 11.205236751, 11.3140254573, 11.4228141636]" +0,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Ni,"[-5.4486265, -5.45553255, -5.46074702, -5.46437398, -5.46649816, -5.46720749, -5.46658321, -5.46470298, -5.46163518, -5.4574519, -5.45222068]",PBE,10.8813358857882,4.9311593653839895e-05,62.0,1.0,0.001466839306081167,0.001466839306081167,v0,FindHistory,10.8814954975,7.256310000000001e-05,"[10.3351027688, 10.4438933242, 10.5526838797, 10.6614744352, 10.7702649906, 10.8790555461, 10.9878461015, 11.096636657, 11.2054272125, 11.3142177679, 11.4230083234]" +1,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Ni,"[-5.44869476, -5.45558293, -5.46078027, -5.4643872, -5.4664963, -5.4671929200000005, -5.46655461, -5.46466596, -5.4615917, -5.45740331, -5.45216893]",PBE,10.8813358857882,4.9311593653839895e-05,56.0,1.0,0.0012970979820992473,-0.0012970979820992473,v0,FindHistory,10.8811947442,6.018990000000001e-05,"[10.3358298231, 10.4446280317, 10.5534262404, 10.6622244491, 10.7710226577, 10.8798208664, 10.9886190751, 11.0974172837, 11.2062154924, 11.3150137011, 11.4238119097]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ni,"[-5.519095, -5.5259371900000005, -5.53098299, -5.5344387600000005, -5.53634065, -5.53681149, -5.53592749, -5.5337551, -5.53037064, -5.52579707, -5.52017769]",PBE,10.8813358857882,4.9311593653839895e-05,4.0,1.0,1.1943909309696488,-1.1943909309696488,v0,FindHistory,10.7513701968,0.0002883952,"[10.2305864892, 10.3382768733, 10.4459672574, 10.5536576415, 10.6613480256, 10.7690384097, 10.8767287938, 10.9844191778, 11.0921095619, 11.199799946, 11.3074903301]" +3,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ni,"[-5.45106839, -5.4582625700000005, -5.46371697, -5.46753157, -5.46981921, -5.47067063, -5.4701891, -5.46844562, -5.46550185, -5.46143328, -5.45630255]",PBE,10.8813358857882,4.9311593653839895e-05,12.0,1.0,0.040589361068872384,0.040589361068872384,v0,FindHistory,10.8857525505,0.00014826030000000001,"[10.328256116, 10.4369746014, 10.5456930868, 10.6544115723, 10.7631300577, 10.8718485431, 10.9805670286, 11.089285514, 11.198003999400001, 11.3067224848, 11.4154409703]" +4,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Ni,"[-5.44869727, -5.45558572, -5.46078799, -5.46439459, -5.4665028, -5.46719874, -5.46655956, -5.46466845, -5.46159495, -5.45740371, -5.45216133]",PBE,10.8813358857882,4.9311593653839895e-05,70.0,1.0,0.0004393705763823061,-0.0004393705763823061,v0,FindHistory,10.8812880764,4.28915e-05,"[10.3359678804, 10.4447675423, 10.5535672042, 10.6623668661, 10.771166528, 10.8799661899, 10.9887658518, 11.0975655137, 11.2063651756, 11.3151648375, 11.4239644994]" +5,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Ni,"[-5.44861355, -5.45551199, -5.46072282, -5.46434695, -5.46646985, -5.46717865, -5.46655375, -5.46467537, -5.46160967, -5.45743277, -5.45220071]",PBE,10.8813358857882,4.9311593653839895e-05,44.0,1.0,0.00029147237557116323,-0.00029147237557116323,v0,FindHistory,10.8813041697,6.84659e-05,"[10.3349023989, 10.4436908452, 10.5524792915, 10.6612677378, 10.7700561841, 10.8788446304, 10.9876330767, 11.096421523, 11.2052099693, 11.3139984156, 11.4227868619]" +6,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Ni,"[-5.44865772, -5.45556046, -5.46077139, -5.46439065, -5.4665142, -5.46721907, -5.46659218, -5.46471107, -5.46163825, -5.4574532399999995, -5.45222037]",PBE,10.8813358857882,4.9311593653839895e-05,48.0,1.0,0.0013546664981898546,0.0013546664981898546,v0,FindHistory,10.8814832916,7.34981e-05,"[10.3353347144, 10.4441277114, 10.5529207084, 10.6617137054, 10.7705067024, 10.8792996994, 10.9880926963, 11.0968856933, 11.2056786903, 11.3144716873, 11.4232646843]" +7,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ni,"[-5.44865938, -5.45554846, -5.46076021, -5.46438338, -5.4665017, -5.46720405, -5.46657373, -5.46468581, -5.46161559, -5.45742457, -5.45218275]",PBE,10.8813358857882,4.9311593653839895e-05,38.0,1.0,0.006302964259156985,0.006302964259156985,v0,FindHistory,10.8820217325,9.63293e-05,"[10.3359947166, 10.444794661, 10.5535946054, 10.6623945498, 10.7711944942, 10.8799944386, 10.988794383, 11.0975943273, 11.2063942717, 11.3151942161, 11.4239941605]" +8,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ni,"[-5.44895485, -5.45587047, -5.46109787, -5.46473124, -5.46686404, -5.46758715, -5.46697351, -5.46510196, -5.46205012, -5.45787682, -5.45264421]",PBE,10.8813358857882,4.9311593653839895e-05,20.0,1.0,0.014634054172332116,-0.014634054172332116,v0,FindHistory,10.8797435052,3.2291e-05,"[10.3325545652, 10.4413182975, 10.5500820298, 10.658845762, 10.7676094943, 10.8763732266, 10.9851369588, 11.0939006911, 11.2026644234, 11.3114281556, 11.4201918879]" +9,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ni,"[-5.44848269, -5.45540238, -5.46062985, -5.46426414, -5.46639934, -5.46711443, -5.46649862, -5.46462813, -5.46156521, -5.45738635, -5.45215805]",PBE,10.8813358857882,4.9311593653839895e-05,22.0,1.0,0.0021601648057535516,-0.0021601648057535516,v0,FindHistory,10.881100831,5.7086700000000004e-05,"[10.3341066874, 10.4428867578, 10.5516668282, 10.6604468986, 10.769226969, 10.8780070394, 10.9867871098, 11.0955671802, 11.2043472506, 11.313127321, 11.4219073914]" +10,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Ni,"[-5.44865352, -5.45554655, -5.46075015, -5.46437004, -5.46648872, -5.46719375, -5.46656717, -5.46468509, -5.46162003, -5.45743398, -5.45219784]",PBE,10.8813358857882,4.9311593653839895e-05,52.0,1.0,0.0033522769228738754,0.0033522769228738754,v0,FindHistory,10.8817006583,5.300480000000001e-05,"[10.3354991011, 10.4442938285, 10.5530885559, 10.6618832832, 10.7706780106, 10.879472738, 10.9882674654, 11.0970621928, 11.2058569201, 11.3146516475, 11.4234463749]" +11,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ni,"[-5.43904243, -5.44603007, -5.45133592, -5.45503585, -5.45722305, -5.45799524, -5.4574281, -5.4556053, -5.45258547, -5.44844484, -5.44314328]",PBE,10.8813358857882,4.9311593653839895e-05,8.0,1.0,0.05938991572018726,0.05938991572018726,v0,FindHistory,10.887798302,0.0003574756,"[10.336036303, 10.4448366851, 10.5536370673, 10.6624374494, 10.7712378316, 10.8800382137, 10.9888385958, 11.097638978, 11.2064393601, 11.3152397422, 11.4240401244]" +12,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ni,"[-5.44858095, -5.45552166, -5.46076667, -5.46441883, -5.46656101, -5.46729369, -5.46668778, -5.46482023, -5.4617732199999995, -5.4576083, -5.4523867]",PBE,10.8813358857882,4.9311593653839895e-05,24.0,1.0,0.008409982206280149,0.008409982206280149,v0,FindHistory,10.8822510042,5.51517e-05,"[10.334357737, 10.44314045, 10.551923163, 10.660705876, 10.7694885891, 10.8782713021, 10.9870540151, 11.0958367281, 11.2046194412, 11.3134021542, 11.4221848672]" +13,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ni,"[-5.44870316, -5.45558398, -5.46078164, -5.46438607, -5.4664952, -5.4671924, -5.46656623, -5.46468375, -5.46161506, -5.45742798, -5.45219268]",PBE,10.8813358857882,4.9311593653839895e-05,40.0,1.0,0.0038374976766001215,0.0038374976766001215,v0,FindHistory,10.8817534568,3.96972e-05,"[10.3359570535, 10.4447566015, 10.5535561494, 10.6623556973, 10.7711552453, 10.8799547932, 10.9887543411, 11.0975538891, 11.206353437, 11.3151529849, 11.4239525329]" +14,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ni,"[-5.44864277, -5.45554158, -5.46076057, -5.46439792, -5.46655724, -5.46729739, -5.46669879, -5.46483567, -5.46178818, -5.45762154, -5.45240097]",PBE,10.8813358857882,4.9311593653839895e-05,26.0,1.0,0.018895348267720307,0.018895348267720307,v0,FindHistory,10.8833919521,0.00015326819999999998,"[10.3347278452, 10.4435144541, 10.552301063, 10.6610876719, 10.7698742808, 10.8786608897, 10.9874474986, 11.0962341075, 11.2050207164, 11.3138073253, 11.4225939342]" +15,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Ni,"[-5.44863701, -5.4555333, -5.4607505, -5.46437014, -5.46648667, -5.46719388, -5.46656962, -5.46468596, -5.4616199, -5.45743592, -5.45219739]",PBE,10.8813358857882,4.9311593653839895e-05,50.0,1.0,0.0025390854091848344,0.0025390854091848344,v0,FindHistory,10.8816121722,5.37882e-05,"[10.3354008876, 10.4441945812, 10.5529882747, 10.6617819683, 10.7705756618, 10.8793693554, 10.9881630489, 11.0969567425, 11.205750436, 11.3145441296, 11.4233378232]" +16,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ni,"[-5.44860021, -5.45549014, -5.46069127, -5.46430107, -5.46641046, -5.46711344, -5.46648491, -5.46460274, -5.46154621, -5.4573895199999995, -5.4521709]",PBE,10.8813358857882,4.9311593653839895e-05,28.0,1.0,0.0017790277795957964,-0.0017790277795957964,v0,FindHistory,10.8811423038,7.26562e-05,"[10.335267604, 10.4440598946, 10.5528521852, 10.6616444757, 10.7704367663, 10.8792290569, 10.9880213474, 11.096813638, 11.2056059286, 11.3143982191, 11.4231905097]" +17,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Ni,"[-5.44863436, -5.45552794, -5.46074246, -5.46436287, -5.46648414, -5.46719285, -5.46656823, -5.46468895, -5.46162712, -5.45744372, -5.45220971]",PBE,10.8813358857882,4.9311593653839895e-05,64.0,1.0,0.002234801998141124,0.002234801998141124,v0,FindHistory,10.8815790621,5.70295e-05,"[10.3351705621, 10.4439618311, 10.5527531002, 10.6615443693, 10.7703356384, 10.8791269074, 10.9879181765, 11.0967094456, 11.2055007147, 11.3142919837, 11.4230832528]" +18,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Ni,"[-5.4486431, -5.45553921, -5.46075314, -5.46437296, -5.46649199, -5.46720041, -5.46657767, -5.46470286, -5.4616441, -5.45746661, -5.45223509]",PBE,10.8813358857882,4.9311593653839895e-05,54.0,1.0,0.0011098307511869885,0.0011098307511869885,v0,FindHistory,10.8814566502,3.61877e-05,"[10.3349954834, 10.4437849095, 10.5525743357, 10.6613637618, 10.770153188, 10.8789426141, 10.987732040200001, 11.0965214664, 11.2053108925, 11.3141003187, 11.4228897448]" +19,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ni,"[-5.4477692300000005, -5.45467114, -5.45988602, -5.46351205, -5.46564778, -5.46637395, -5.46576835, -5.46391495, -5.46087181, -5.45671972, -5.45151615]",PBE,10.8813358857882,4.9311593653839895e-05,16.0,1.0,0.0037297312798788146,-0.0037297312798788146,v0,FindHistory,10.8809300412,4.734439999999999e-05,"[10.333176181, 10.4419464566, 10.5507167322, 10.6594870078, 10.7682572833, 10.8770275589, 10.9857978345, 11.0945681101, 11.2033383857, 11.3121086613, 11.4208789369]" +20,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Ni,"[-5.44868424, -5.45557775, -5.46078005, -5.46439071, -5.46650494, -5.46720147, -5.46656712, -5.46467743, -5.46160512, -5.45741434, -5.45217766]",PBE,10.8813358857882,4.9311593653839895e-05,60.0,1.0,8.050471278008338e-05,-8.050471278008338e-05,v0,FindHistory,10.881327125799999,5.8017e-05,"[10.335784954, 10.4445826904, 10.5533804268, 10.6621781631, 10.7709758995, 10.8797736358, 10.9885713722, 11.0973691085, 11.2061668449, 11.3149645813, 11.4237623176]" +21,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ni,"[-5.44866627, -5.45557103, -5.46078874, -5.46441154, -5.4665342, -5.46723896, -5.46661048, -5.46472812, -5.46166059, -5.45747474, -5.45224007]",PBE,10.8813358857882,4.9311593653839895e-05,32.0,1.0,0.0026245553964849935,-0.0026245553964849935,v0,FindHistory,10.8810502991,6.126020000000001e-05,"[10.3349235085, 10.443712177, 10.5525008455, 10.661289514, 10.7700781825, 10.8788668511, 10.9876555196, 11.0964441881, 11.2052328566, 11.3140215251, 11.4228101936]" +22,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Ni,"[-5.44867858, -5.45556931, -5.4607707, -5.46438312, -5.46649538, -5.46719198, -5.46655733, -5.4646681, -5.46159661, -5.45740628, -5.4521671]",PBE,10.8813358857882,4.9311593653839895e-05,58.0,1.0,7.683696458044816e-05,-7.683696458044816e-05,v0,FindHistory,10.8813275249,5.31818e-05,"[10.3357699073, 10.4445674852, 10.5533650632, 10.6621626412, 10.770960219100001, 10.8797577971, 10.9885553751, 11.097352953, 11.206150531, 11.314948109, 11.423745687]" +23,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Ni,"[-5.44862328, -5.45552248, -5.46074146, -5.46436404, -5.46648475, -5.46719139, -5.46657094, -5.46468976, -5.4616284, -5.4574546999999995, -5.45223209]",PBE,10.8813358857882,4.9311593653839895e-05,42.0,1.0,0.0023076954046436,-0.0023076954046436,v0,FindHistory,10.8810847777,7.98084e-05,"[10.3347472183, 10.4435340311, 10.5523208439, 10.6611076567, 10.7698944696, 10.8786812824, 10.9874680952, 11.096254908, 11.2050417208, 11.3138285337, 11.4226153465]" +24,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ni,"[-5.44922209, -5.45635766, -5.46179038, -5.46561625, -5.46792392, -5.46880459, -5.46834674, -5.46661796, -5.46369584, -5.45965204, -5.45454682]",PBE,10.8813358857882,4.9311593653839895e-05,10.0,1.0,0.07566741619064345,0.07566741619064345,v0,FindHistory,10.889569511500001,5.783900000000001e-05,"[10.329802971, 10.4385377392, 10.5472725073, 10.6560072754, 10.7647420435, 10.8734768116, 10.9822115797, 11.0909463479, 11.199681116, 11.3084158841, 11.4171506522]" +25,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ni,"[-5.4486535400000005, -5.45555136, -5.46076547, -5.46438227, -5.46650322, -5.46720543, -5.46657616, -5.46469048, -5.4616212, -5.45743004, -5.45218636]",PBE,10.8813358857882,4.9311593653839895e-05,36.0,1.0,0.003785175975828588,0.003785175975828588,v0,FindHistory,10.881747763499998,4.7622700000000014e-05,"[10.3357241931, 10.4445212899, 10.5533183866, 10.662115483400001, 10.7709125802, 10.879709677, 10.9885067737, 11.0973038705, 11.2061009673, 11.314898064, 11.4236951608]" +26,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ni,"[-5.44768516, -5.45461048, -5.45985135, -5.4635197, -5.46569081, -5.46645852, -5.4659021899999995, -5.46409361, -5.46111713, -5.45709056, -5.45208029]",PBE,10.8813358857882,4.9311593653839895e-05,14.0,1.0,0.017087119001894358,0.017087119001894358,v0,FindHistory,10.8831951926,0.0004572325,"[10.3322124779, 10.4409726092, 10.5497327406, 10.6584928719, 10.7672530033, 10.8760131346, 10.984773266, 11.0935333973, 11.2022935287, 11.31105366, 11.4198137914]" +27,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ni,"[-5.44853509, -5.45543885, -5.46065326, -5.46427615, -5.46639553, -5.46710285, -5.46648112, -5.46460048, -5.46154392, -5.45736983, -5.45214407]",PBE,10.8813358857882,4.9311593653839895e-05,30.0,1.0,0.005637694623514724,-0.005637694623514724,v0,FindHistory,10.8807224293,4.49553e-05,"[10.3343993005, 10.443182451, 10.551965601500001, 10.6607487521, 10.7695319026, 10.8783150531, 10.9870982037, 11.0958813542, 11.2046645047, 11.3134476553, 11.4222308058]" +28,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ni,"[-5.46990382, -5.4769731, -5.48228589, -5.48599752, -5.4882054, -5.48896004, -5.48834756, -5.48648033, -5.4834015, -5.47917073, -5.47390179]",PBE,10.8813358857882,4.9311593653839895e-05,6.0,1.0,0.41589363717102446,-0.41589363717102446,v0,FindHistory,10.8360811022,0.00019709,"[10.2894019599, 10.3977114542, 10.5060209485, 10.6143304428, 10.7226399371, 10.8309494315, 10.9392589258, 11.0475684201, 11.1558779144, 11.2641874087, 11.372496903]" +29,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Ni,"[-5.44870286, -5.45558973, -5.46079065, -5.46439659, -5.46650216, -5.46720095, -5.46656603, -5.46467461, -5.46160026, -5.45740913, -5.45216804]",PBE,10.8813358857882,4.9311593653839895e-05,68.0,1.0,0.0003516058340817975,0.0003516058340817975,v0,FindHistory,10.8813741452,4.24179e-05,"[10.3359648751, 10.4447645054, 10.5535641357, 10.6623637659, 10.7711633962, 10.8799630265, 10.9887626567, 11.097562287, 11.2063619173, 11.3151615475, 11.4239611778]" +30,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Ni,"[-5.44865242, -5.45555464, -5.46076453, -5.46438863, -5.46650774, -5.46721345, -5.46658665, -5.46470657, -5.46163736, -5.45745667, -5.45221807]",PBE,10.8813358857882,4.9311593653839895e-05,46.0,1.0,0.0008150792580202715,0.0008150792580202715,v0,FindHistory,10.8814245773,4.90174e-05,"[10.3352227946, 10.4440146135, 10.5528064324, 10.6615982513, 10.7703900702, 10.8791818891, 10.987973708, 11.0967655269, 11.2055573458, 11.3143491647, 11.4231409835]" +31,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Ni,"[-5.44864567, -5.45554313, -5.4607503, -5.4643692, -5.46648859, -5.46719688, -5.46657409, -5.46469109, -5.4616248800000005, -5.45744085, -5.45220808]",PBE,10.8813358857882,4.9311593653839895e-05,66.0,1.0,0.002035749232679961,0.002035749232679961,v0,FindHistory,10.8815574025,5.5817e-05,"[10.3352776878, 10.4440700845, 10.5528624812, 10.6616548779, 10.7704472746, 10.8792396714, 10.9880320681, 11.0968244648, 11.2056168615, 11.3144092582, 11.4232016549]" +32,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ni,"[-5.44903718, -5.45594551, -5.46116037, -5.46479192, -5.46692393, -5.46764094, -5.46702461, -5.46515278, -5.46210105, -5.45793089, -5.45270713]",PBE,10.8813358857882,4.9311593653839895e-05,18.0,1.0,0.01850809872370771,-0.01850809872370771,v0,FindHistory,10.8793219574,6.0087600000000004e-05,"[10.3323562443, 10.4411178889, 10.5498795336, 10.6586411783, 10.767402823, 10.8761644676, 10.9849261123, 11.093687757, 11.2024494017, 11.3112110463, 11.419972691]" +33,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ni,"[-5.44870088, -5.45560577, -5.46081713, -5.4644397399999995, -5.46656154, -5.46726399, -5.4666381, -5.46475272, -5.46168504, -5.45749902, -5.45226203]",PBE,10.8813358857882,4.9311593653839895e-05,34.0,1.0,0.0030593237052438968,-0.0030593237052438968,v0,FindHistory,10.881002990499999,5.395100000000001e-05,"[10.3349271004, 10.4437158068, 10.5525045131, 10.661293219400001, 10.7700819257, 10.878870632, 10.9876593384, 11.0964480447, 11.205236751, 11.3140254573, 11.4228141636]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,358.079797808149,0.0381682063560192,62.0,1.0,0.014314673785773599,-0.014314673785773599,B,bcc,358.0285398532,0.0540152704,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,358.079797808149,0.0381682063560192,66.0,1.0,0.015767049298687944,-0.015767049298687944,B,bcc,358.02333918989996,0.0527526861,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,358.079797808149,0.0381682063560192,70.0,1.0,0.017544521565737225,-0.017544521565737225,B,bcc,358.0169744208,0.055941371100000005,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,358.079797808149,0.0381682063560192,70.0,1.0,0.01845655902777947,-0.01845655902777947,B,bcc,358.0137085989,0.0551631307,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,358.079797808149,0.0381682063560192,64.0,1.0,0.02104771668503815,-0.02104771668503815,B,bcc,358.0044301868,0.0572683395,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,358.079797808149,0.0381682063560192,56.0,1.0,0.016126118257007042,-0.016126118257007042,B,bcc,358.0220534365,0.0540098702,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,358.079797808149,0.0381682063560192,58.0,1.0,0.05408684579094078,-0.05408684579094078,B,bcc,357.8861237401,0.0518275754,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,358.079797808149,0.0381682063560192,62.0,1.0,0.014314673785773599,-0.014314673785773599,B,bcc,358.0285398532,0.0540152704,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,358.079797808149,0.0381682063560192,66.0,1.0,0.015767049298687944,-0.015767049298687944,B,bcc,358.02333918989996,0.0527526861,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,358.079797808149,0.0381682063560192,70.0,1.0,0.017544521565737225,-0.017544521565737225,B,bcc,358.0169744208,0.055941371100000005,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,358.079797808149,0.0381682063560192,70.0,1.0,0.01845655902777947,-0.01845655902777947,B,bcc,358.0137085989,0.0551631307,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,358.079797808149,0.0381682063560192,64.0,1.0,0.02104771668503815,-0.02104771668503815,B,bcc,358.0044301868,0.0572683395,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,358.079797808149,0.0381682063560192,56.0,1.0,0.016126118257007042,-0.016126118257007042,B,bcc,358.0220534365,0.0540098702,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +13,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,358.079797808149,0.0381682063560192,58.0,1.0,0.05408684579094078,-0.05408684579094078,B,bcc,357.8861237401,0.0518275754,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,-10.3618114965202,3.15584524641679e-05,62.0,1.0,-0.000606371967113111,-0.000606371967113111,E0,bcc,-10.3617486654,3.2577e-06,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,-10.3618114965202,3.15584524641679e-05,66.0,1.0,-0.00020565728499447085,-0.00020565728499447085,E0,bcc,-10.3617901867,3.1789e-06,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,-10.3618114965202,3.15584524641679e-05,70.0,1.0,-0.0004411460314112178,-0.0004411460314112178,E0,bcc,-10.361765785800001,3.3788e-06,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,-10.3618114965202,3.15584524641679e-05,70.0,1.0,-0.00044272297576250383,-0.00044272297576250383,E0,bcc,-10.3617656224,3.3241e-06,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,-10.3618114965202,3.15584524641679e-05,64.0,1.0,-0.000661041944495234,-0.000661041944495234,E0,bcc,-10.361743000599999,3.4538000000000007e-06,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,-10.3618114965202,3.15584524641679e-05,56.0,1.0,-0.00023751078860860585,-0.00023751078860860585,E0,bcc,-10.3617868861,3.2549e-06,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,-10.3618114965202,3.15584524641679e-05,58.0,1.0,-0.0013247000319006432,-0.0013247000319006432,E0,bcc,-10.3616742336,3.1241000000000007e-06,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,-10.3618114965202,3.15584524641679e-05,62.0,1.0,-0.000606371967113111,-0.000606371967113111,E0,bcc,-10.3617486654,3.2577e-06,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,-10.3618114965202,3.15584524641679e-05,66.0,1.0,-0.00020565728499447085,-0.00020565728499447085,E0,bcc,-10.3617901867,3.1789e-06,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,-10.3618114965202,3.15584524641679e-05,70.0,1.0,-0.0004411460314112178,-0.0004411460314112178,E0,bcc,-10.361765785800001,3.3788e-06,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,-10.3618114965202,3.15584524641679e-05,70.0,1.0,-0.00044272297576250383,-0.00044272297576250383,E0,bcc,-10.3617656224,3.3241e-06,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,-10.3618114965202,3.15584524641679e-05,64.0,1.0,-0.000661041944495234,-0.000661041944495234,E0,bcc,-10.361743000599999,3.4538000000000007e-06,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,-10.3618114965202,3.15584524641679e-05,56.0,1.0,-0.00023751078860860585,-0.00023751078860860585,E0,bcc,-10.3617868861,3.2549e-06,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +13,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,-10.3618114965202,3.15584524641679e-05,58.0,1.0,-0.0013247000319006432,-0.0013247000319006432,E0,bcc,-10.3616742336,3.1241000000000007e-06,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,4.89962993604913,0.00477946149175763,62.0,1.0,0.16132689517454302,0.16132689517454302,dB,bcc,4.9075343569,0.0163052003,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,4.89962993604913,0.00477946149175763,66.0,1.0,0.20231816035608563,0.20231816035608563,dB,bcc,4.9095427772,0.015907386699999998,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,4.89962993604913,0.00477946149175763,70.0,1.0,0.16890745339725252,0.16890745339725252,dB,bcc,4.9079057762,0.0169214497,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,4.89962993604913,0.00477946149175763,70.0,1.0,0.17590695140988785,0.17590695140988785,dB,bcc,4.9082487257,0.0166338923,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,4.89962993604913,0.00477946149175763,64.0,1.0,0.15653764980167506,0.15653764980167506,dB,bcc,4.9072997016,0.0172881496,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,4.89962993604913,0.00477946149175763,56.0,1.0,0.1738204917928426,0.1738204917928426,dB,bcc,4.9081464969,0.0162878015,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,4.89962993604913,0.00477946149175763,58.0,1.0,0.5124568177309482,0.5124568177309482,dB,bcc,4.9247384237,0.0156395558,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,4.89962993604913,0.00477946149175763,62.0,1.0,0.16132689517454302,0.16132689517454302,dB,bcc,4.9075343569,0.0163052003,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,4.89962993604913,0.00477946149175763,66.0,1.0,0.20231816035608563,0.20231816035608563,dB,bcc,4.9095427772,0.015907386699999998,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,4.89962993604913,0.00477946149175763,70.0,1.0,0.16890745339725252,0.16890745339725252,dB,bcc,4.9079057762,0.0169214497,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,4.89962993604913,0.00477946149175763,70.0,1.0,0.17590695140988785,0.17590695140988785,dB,bcc,4.9082487257,0.0166338923,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,4.89962993604913,0.00477946149175763,64.0,1.0,0.15653764980167506,0.15653764980167506,dB,bcc,4.9072997016,0.0172881496,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,4.89962993604913,0.00477946149175763,56.0,1.0,0.1738204917928426,0.1738204917928426,dB,bcc,4.9081464969,0.0162878015,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +13,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,4.89962993604913,0.00477946149175763,58.0,1.0,0.5124568177309482,0.5124568177309482,dB,bcc,4.9247384237,0.0156395558,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,14.7784197235901,4.05747126038489e-05,62.0,1.0,0.0009320658938905031,0.0009320658938905031,v0,bcc,14.778557468199999,7.745810000000001e-05,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,14.7784197235901,4.05747126038489e-05,66.0,1.0,0.00028798417351992296,0.00028798417351992296,v0,bcc,14.7784622831,7.55575e-05,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,14.7784197235901,4.05747126038489e-05,70.0,1.0,0.00018871239566250396,0.00018871239566250396,v0,bcc,14.7784476123,8.04052e-05,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,14.7784197235901,4.05747126038489e-05,70.0,1.0,0.00018620874501963273,0.00018620874501963273,v0,bcc,14.7784472423,7.90076e-05,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,14.7784197235901,4.05747126038489e-05,64.0,1.0,0.00022800617745847763,0.00022800617745847763,v0,bcc,14.7784534193,8.21273e-05,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,14.7784197235901,4.05747126038489e-05,56.0,1.0,0.0005962241670486545,0.0005962241670486545,v0,bcc,14.7785078361,7.73662e-05,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,14.7784197235901,4.05747126038489e-05,58.0,1.0,0.00010547264450583658,-0.00010547264450583658,v0,bcc,14.7784041364,7.42899e-05,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555881, -10.33271811, -10.34568554, -10.35469722, -10.35998201, -10.36175352, -10.36021515, -10.35555507, -10.34795413, -10.33758118, -10.3245988]",PBE,14.7784197235901,4.05747126038489e-05,62.0,1.0,0.0009320658938905031,0.0009320658938905031,v0,bcc,14.778557468199999,7.745810000000001e-05,"[14.0360330148, 14.1837807307, 14.3315284467, 14.4792761626, 14.6270238785, 14.7747715945, 14.9225193104, 15.0702670264, 15.2180147423, 15.3657624583, 15.5135101742]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31552796, -10.33270302, -10.34568612, -10.35471165, -10.36001007, -10.36179446, -10.36026882, -10.35562122, -10.34803229, -10.33767178, -10.32470018]",PBE,14.7784197235901,4.05747126038489e-05,66.0,1.0,0.00028798417351992296,0.00028798417351992296,v0,bcc,14.7784622831,7.55575e-05,"[14.0353961535, 14.1831371656, 14.3308781777, 14.4786191899, 14.626360202, 14.7741012142, 14.9218422263, 15.0695832385, 15.2173242506, 15.3650652627, 15.5128062749]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31571501, -10.33284348, -10.34578197, -10.35476689, -10.36002512, -10.3617711, -10.36020889, -10.35552566, -10.34790174, -10.33750855, -10.32450588]",PBE,14.7784197235901,4.05747126038489e-05,70.0,1.0,0.00018871239566250396,0.00018871239566250396,v0,bcc,14.7784476123,8.04052e-05,"[14.0369767322, 14.184734382, 14.3324920318, 14.4802496816, 14.6280073314, 14.7757649812, 14.923522631099999, 15.0712802809, 15.2190379307, 15.3667955805, 15.5145532303]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Os,"[-10.315501189999999, -10.33267658, -10.34565894, -10.35468538, -10.35998479, -10.36177014, -10.36024573, -10.35559864, -10.34800899, -10.3376506, -10.32467996]",PBE,14.7784197235901,4.05747126038489e-05,70.0,1.0,0.00018620874501963273,0.00018620874501963273,v0,bcc,14.7784472423,7.90076e-05,"[14.0353468691, 14.1830873625, 14.3308278558, 14.4785683492, 14.6263088425, 14.7740493359, 14.9217898293, 15.0695303226, 15.217270816, 15.3650113093, 15.5127518027]" +11,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31555436, -10.33271285, -10.34567815, -10.35469145, -10.35997678, -10.36174782, -10.3602105, -10.35555076, -10.34794945, -10.33757959, -10.32459805]",PBE,14.7784197235901,4.05747126038489e-05,64.0,1.0,0.00022800617745847763,0.00022800617745847763,v0,bcc,14.7784534193,8.21273e-05,"[14.0359139296, 14.183660392, 14.3314068544, 14.4791533169, 14.6268997793, 14.7746462417, 14.9223927041, 15.0701391665, 15.2178856289, 15.3656320914, 15.513378553799999]" +12,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31553081, -10.33270392, -10.34568565, -10.35471024, -10.36000808, -10.36179097, -10.36026496, -10.35561606, -10.34802636, -10.33766468, -10.32469234]",PBE,14.7784197235901,4.05747126038489e-05,56.0,1.0,0.0005962241670486545,0.0005962241670486545,v0,bcc,14.7785078361,7.73662e-05,"[14.0354761618, 14.1832180162, 14.3309598705, 14.4787017248, 14.6264435792, 14.7741854335, 14.921927287799999, 15.0696691422, 15.2174109965, 15.3651528508, 15.5128947052]" +13,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-10.31545117, -10.33261784, -10.34559232, -10.3546115, -10.35990261, -10.36167869, -10.36014471, -10.35549675, -10.34790825, -10.337548720000001, -10.3245792]",PBE,14.7784197235901,4.05747126038489e-05,58.0,1.0,0.00010547264450583658,-0.00010547264450583658,v0,bcc,14.7784041364,7.42899e-05,"[14.0355964269, 14.1833395472, 14.3310826675, 14.4788257877, 14.626568908, 14.7743120283, 14.9220551486, 15.0697982689, 15.2175413892, 15.3652845094, 15.5130276297]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,358.079797808149,0.0381682063560192,70.0,1.0,10.898144381063123,10.898144381063123,B,fcc,397.1038511727,0.0672124557,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,358.079797808149,0.0381682063560192,70.0,1.0,10.898144381063123,10.898144381063123,B,fcc,397.1038511727,0.0672124557,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,-10.3618114965202,3.15584524641679e-05,70.0,1.0,-7.240956076374938,7.240956076374938,E0,fcc,-11.112105715699997,3.8944e-06,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,-10.3618114965202,3.15584524641679e-05,70.0,1.0,-7.240956076374938,7.240956076374938,E0,fcc,-11.112105715699997,3.8944e-06,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,4.89962993604913,0.00477946149175763,70.0,1.0,0.3700896636592133,0.3700896636592133,dB,fcc,4.91776296,0.0180620297,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,4.89962993604913,0.00477946149175763,70.0,1.0,0.3700896636592133,0.3700896636592133,dB,fcc,4.91776296,0.0180620297,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,14.7784197235901,4.05747126038489e-05,70.0,1.0,3.0196450949201363,-3.0196450949201363,v0,fcc,14.332163897300001,8.308190000000001e-05,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Os,"[-11.06157398, -11.0802151, -11.09433901, -11.10420019, -11.11004594, -11.11210529, -11.11059673, -11.10572559, -11.09768717, -11.0866635, -11.07283026]",PBE,14.7784197235901,4.05747126038489e-05,70.0,1.0,3.0196450949201363,-3.0196450949201363,v0,fcc,14.332163897300001,8.308190000000001e-05,"[13.6063195646, 13.7495439811, 13.8927683976, 14.035992814, 14.1792172305, 14.322441647, 14.4656660635, 14.6088904799, 14.7521148964, 14.8953393129, 15.0385637293]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031584, -22.47600163, -22.45542861, -22.428954009999998, -22.39692722]",PBE,405.079732387369,0.0087123071672759,18.0,1.0,0.03693101636739361,-0.03693101636739361,B,hcp,404.93013232510003,0.0685660193,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,405.079732387369,0.0087123071672759,66.0,1.0,0.005034136822596214,-0.005034136822596214,B,hcp,405.0593401194,0.065564915,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,405.079732387369,0.0087123071672759,48.0,1.0,0.007072511083231831,-0.007072511083231831,B,hcp,405.0510830784,0.063336271,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42106456, -22.45334967, -22.47666861, -22.49153288, -22.49844071, -22.49784709, -22.4901901, -22.47587963, -22.45530689, -22.42883275, -22.39680637]",PBE,405.079732387369,0.0087123071672759,28.0,1.0,0.03594704371182706,-0.03594704371182706,B,hcp,404.93411819889997,0.06746509640000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",PBE,405.079732387369,0.0087123071672759,4.0,1.0,0.4474061421162161,-0.4474061421162161,B,hcp,403.2673807842,0.1795591168,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",PBE,405.079732387369,0.0087123071672759,38.0,1.0,0.03028253204524494,-0.03028253204524494,B,hcp,404.9570639876,0.0675943913,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,405.079732387369,0.0087123071672759,60.0,1.0,0.006364841315831624,-0.006364841315831624,B,hcp,405.05394970519995,0.06713281580000001,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42136766, -22.45364929, -22.47696281, -22.49182554, -22.49872883, -22.49813332, -22.49047227, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",PBE,405.079732387369,0.0087123071672759,32.0,1.0,0.03482469410098242,-0.03482469410098242,B,hcp,404.9386646097,0.06748676170000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,405.079732387369,0.0087123071672759,38.0,1.0,0.003452810558189888,-0.003452810558189888,B,hcp,405.06574575160005,0.0688665759,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",PBE,405.079732387369,0.0087123071672759,6.0,1.0,0.5075905563951508,-0.5075905563951508,B,hcp,403.0235859199,0.071790457,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,405.079732387369,0.0087123071672759,50.0,1.0,0.007061491919230442,-0.007061491919230442,B,hcp,405.05112771480003,0.0652073832,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,405.079732387369,0.0087123071672759,52.0,1.0,0.006334102873467013,-0.006334102873467013,B,hcp,405.0540742204,0.06471482860000001,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,405.079732387369,0.0087123071672759,36.0,1.0,0.031211530264387048,-0.031211530264387048,B,hcp,404.9533008041,0.0676022775,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",PBE,405.079732387369,0.0087123071672759,16.0,1.0,0.02683996916564037,-0.02683996916564037,B,hcp,404.9710091121,0.0637299442,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42122301, -22.45350455, -22.47681816, -22.49168259, -22.49858485, -22.49798876, -22.49032807, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,405.079732387369,0.0087123071672759,42.0,1.0,0.033644886740152556,-0.033644886740152556,B,hcp,404.94344377019996,0.0682193477,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42132566, -22.4536073, -22.47691962, -22.49178301, -22.49868498, -22.49808863, -22.4904266, -22.47611276, -22.45553597, -22.42905743, -22.39702697]",PBE,405.079732387369,0.0087123071672759,46.0,1.0,0.03338830182193117,-0.03338830182193117,B,hcp,404.94448314370004,0.0678151765,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,405.079732387369,0.0087123071672759,56.0,1.0,0.005311824129579226,-0.005311824129579226,B,hcp,405.0582152644,0.0621499453,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,405.079732387369,0.0087123071672759,66.0,1.0,0.005034136822596214,-0.005034136822596214,B,hcp,405.0593401194,0.065564915,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4216947, -22.45397139, -22.47727876, -22.49213875, -22.4990354, -22.49843541, -22.49076859, -22.47645141, -22.45587221, -22.42939112, -22.3973559]",PBE,405.079732387369,0.0087123071672759,22.0,1.0,0.03366640413363249,-0.03366640413363249,B,hcp,404.94335660760004,0.0667032471,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42122303, -22.45350456, -22.47681817, -22.4916826, -22.49858486, -22.49798876, -22.49032808, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,405.079732387369,0.0087123071672759,42.0,1.0,0.03364892587088879,-0.03364892587088879,B,hcp,404.9434274085,0.06822736800000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4213149, -22.45359244, -22.47690116, -22.49176081, -22.49865875, -22.49805893, -22.49039453, -22.47607702, -22.45549711, -22.42901505, -22.39698227]",PBE,405.079732387369,0.0087123071672759,34.0,1.0,0.03274505779079389,-0.03274505779079389,B,hcp,404.94708879489997,0.0678529211,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",PBE,405.079732387369,0.0087123071672759,24.0,1.0,0.029903756293884174,-0.029903756293884174,B,hcp,404.95859833139997,0.0652589868,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42132565, -22.45360729, -22.47691961, -22.491783, -22.49868497, -22.49808862, -22.49042659, -22.47611275, -22.45553597, -22.42905743, -22.39702697]",PBE,405.079732387369,0.0087123071672759,46.0,1.0,0.033393941477092216,-0.033393941477092216,B,hcp,404.9444602986,0.0678115903,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",PBE,405.079732387369,0.0087123071672759,10.0,1.0,0.0396989438403231,-0.0396989438403231,B,hcp,404.9189200119,0.0747667279,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,405.079732387369,0.0087123071672759,48.0,1.0,0.007072511083231831,-0.007072511083231831,B,hcp,405.0510830784,0.063336271,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",PBE,405.079732387369,0.0087123071672759,14.0,1.0,0.05119577589003402,-0.05119577589003402,B,hcp,404.8723486754,0.0725374952,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42137149, -22.45365201, -22.47696203, -22.4918222, -22.49872271, -22.49812444, -22.49045953, -22.47614394, -22.45556422, -22.42908414, -22.39705103]",PBE,405.079732387369,0.0087123071672759,40.0,1.0,0.031406024344683876,-0.031406024344683876,B,hcp,404.95251294800005,0.067245608,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135698, -22.45363365, -22.47694062, -22.49180042, -22.49869828, -22.4980995, -22.49043391, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",PBE,405.079732387369,0.0087123071672759,30.0,1.0,0.03611888667120137,-0.03611888667120137,B,hcp,404.9334220979,0.0677168799,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",PBE,405.079732387369,0.0087123071672759,44.0,1.0,0.03356251567258984,-0.03356251567258984,B,hcp,404.9437774387,0.0680032872,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,405.079732387369,0.0087123071672759,36.0,1.0,0.031198033538765785,-0.031198033538765785,B,hcp,404.95335547660005,0.06760318380000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",PBE,405.079732387369,0.0087123071672759,12.0,1.0,0.008281874418470244,0.008281874418470244,B,hcp,405.1132805821,0.0697778322,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",PBE,405.079732387369,0.0087123071672759,12.0,1.0,0.008309284701215414,0.008309284701215414,B,hcp,405.1133916156,0.0697768913,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42129148, -22.45357133, -22.47688209, -22.49174304, -22.49864356, -22.49804558, -22.49038231, -22.47606744, -22.45548796, -22.42900785, -22.39697607]",PBE,405.079732387369,0.0087123071672759,48.0,1.0,0.03274328246128997,-0.03274328246128997,B,hcp,404.9470959864,0.0676682923,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42131492, -22.45359246, -22.47690117, -22.49176082, -22.49865876, -22.49805894, -22.49039454, -22.47607703, -22.45549711, -22.42901505, -22.39698227]",PBE,405.079732387369,0.0087123071672759,34.0,1.0,0.03274731485262177,-0.03274731485262177,B,hcp,404.94707965199996,0.0678564125,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,405.079732387369,0.0087123071672759,60.0,1.0,0.006364841315831624,-0.006364841315831624,B,hcp,405.05394970519995,0.06713281580000001,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",PBE,405.079732387369,0.0087123071672759,24.0,1.0,0.02995257732444316,-0.02995257732444316,B,hcp,404.95840056730003,0.0652081591,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",PBE,405.079732387369,0.0087123071672759,8.0,1.0,0.011466505509235322,0.011466505509235322,B,hcp,405.1261808772,0.0692220691,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",PBE,405.079732387369,0.0087123071672759,22.0,1.0,0.03366770027352855,-0.03366770027352855,B,hcp,404.9433513572,0.06670975,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558208, -22.42910643, -22.39707505]",PBE,405.079732387369,0.0087123071672759,32.0,1.0,0.034813688415817945,-0.034813688415817945,B,hcp,404.93870919150004,0.0674812031,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",PBE,405.079732387369,0.0087123071672759,10.0,1.0,0.039703317250940943,-0.039703317250940943,B,hcp,404.9189022961,0.07478660000000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",PBE,405.079732387369,0.0087123071672759,50.0,1.0,0.03182934352433495,-0.03182934352433495,B,hcp,404.9507981678,0.0684231037,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.49180041, -22.49869827, -22.49809949, -22.4904339, -22.47611792, -22.45553823, -22.42905763, -22.39702465]",PBE,405.079732387369,0.0087123071672759,30.0,1.0,0.03611922075358748,-0.03611922075358748,B,hcp,404.93342074459997,0.06770353679999999,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847664, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",PBE,405.079732387369,0.0087123071672759,14.0,1.0,0.05119551742241111,-0.05119551742241111,B,hcp,404.8723497224,0.0725175329,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",PBE,405.079732387369,0.0087123071672759,6.0,1.0,0.5075564674519117,-0.5075564674519117,B,hcp,403.0237240073,0.0717873554,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194025, -22.50661594, -22.51335014, -22.512581, -22.50473627, -22.49027269, -22.469524, -22.44290362, -22.41070864]",PBE,405.079732387369,0.0087123071672759,8.0,1.0,0.01144109246292403,0.01144109246292403,B,hcp,405.1260779341,0.0691857,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42137147, -22.453652, -22.47696201, -22.49182219, -22.4987227, -22.49812443, -22.49045952, -22.47614393, -22.45556422, -22.42908414, -22.39705103]",PBE,405.079732387369,0.0087123071672759,40.0,1.0,0.03140843345066152,-0.03140843345066152,B,hcp,404.9525031892,0.06723862580000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4215493, -22.45382611, -22.47713057, -22.4919918, -22.49888615, -22.49828642, -22.49061705, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,405.079732387369,0.0087123071672759,26.0,1.0,0.02922191094857219,-0.02922191094857219,B,hcp,404.96136034870005,0.06837371810000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,405.079732387369,0.0087123071672759,38.0,1.0,0.003452810558189888,-0.003452810558189888,B,hcp,405.06574575160005,0.0688665759,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",PBE,405.079732387369,0.0087123071672759,20.0,1.0,0.03526358224025382,-0.03526358224025382,B,hcp,404.9368867628,0.0678115148,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,405.079732387369,0.0087123071672759,26.0,1.0,0.029246964238558392,-0.029246964238558392,B,hcp,404.9612588629,0.0683646828,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +50,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",PBE,405.079732387369,0.0087123071672759,16.0,1.0,0.026839220794453663,-0.026839220794453663,B,hcp,404.9710121436,0.0637232399,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42113944, -22.45341803, -22.47672954, -22.49158754, -22.49849176, -22.49789076, -22.49022758, -22.47591526, -22.45533548, -22.42885525, -22.39682493]",PBE,405.079732387369,0.0087123071672759,20.0,1.0,0.03525734961542335,-0.03525734961542335,B,hcp,404.93691200989997,0.0678012763,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",PBE,405.079732387369,0.0087123071672759,18.0,1.0,0.03690534090360537,-0.03690534090360537,B,hcp,404.93023633120004,0.06856660810000001,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",PBE,405.079732387369,0.0087123071672759,4.0,1.0,0.44724769669210507,-0.44724769669210507,B,hcp,403.26802261449996,0.1794982891,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",PBE,405.079732387369,0.0087123071672759,54.0,1.0,0.03106144047925055,-0.03106144047925055,B,hcp,404.9539087874,0.0684277158,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,405.079732387369,0.0087123071672759,50.0,1.0,0.007061491919230442,-0.007061491919230442,B,hcp,405.05112771480003,0.0652073832,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,405.079732387369,0.0087123071672759,52.0,1.0,0.006334102873467013,-0.006334102873467013,B,hcp,405.0540742204,0.06471482860000001,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",PBE,405.079732387369,0.0087123071672759,28.0,1.0,0.03594284646405943,-0.03594284646405943,B,hcp,404.9341352011,0.0674564377,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,405.079732387369,0.0087123071672759,56.0,1.0,0.005311824129579226,-0.005311824129579226,B,hcp,405.0582152644,0.0621499453,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031584, -22.47600163, -22.45542861, -22.428954009999998, -22.39692722]",PBE,-22.500237056694303,6.43088823353918e-05,18.0,1.0,-0.004658609114479599,-0.004658609114479599,E0,hcp,-22.4991888586,7.5257000000000015e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,-22.500237056694303,6.43088823353918e-05,66.0,1.0,-0.0007256398850087136,-0.0007256398850087136,E0,hcp,-22.500073785999998,7.632100000000001e-06,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,-22.500237056694303,6.43088823353918e-05,48.0,1.0,-0.0007960626985765878,-0.0007960626985765878,E0,hcp,-22.500057940700003,7.3724e-06,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42106456, -22.45334967, -22.47666861, -22.49153288, -22.49844071, -22.49784709, -22.4901901, -22.47587963, -22.45530689, -22.42883275, -22.39680637]",PBE,-22.500237056694303,6.43088823353918e-05,28.0,1.0,-0.0052116232880095375,-0.0052116232880095375,E0,hcp,-22.4990644291,7.4053e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",PBE,-22.500237056694303,6.43088823353918e-05,4.0,1.0,-0.0404666611794505,-0.0404666611794505,E0,hcp,-22.491131961999997,1.8532200000000002e-05,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",PBE,-22.500237056694303,6.43088823353918e-05,38.0,1.0,-0.004643525717855662,-0.004643525717855662,E0,hcp,-22.499192252399997,7.4179000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,-22.500237056694303,6.43088823353918e-05,60.0,1.0,-0.0006478500379223775,-0.0006478500379223775,E0,hcp,-22.5000912889,7.806599999999999e-06,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42136766, -22.45364929, -22.47696281, -22.49182554, -22.49872883, -22.49813332, -22.49047227, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",PBE,-22.500237056694303,6.43088823353918e-05,32.0,1.0,-0.003934711408028702,-0.003934711408028702,E0,hcp,-22.4993517373,7.4062e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,-22.500237056694303,6.43088823353918e-05,38.0,1.0,-0.0010530799907008611,-0.0010530799907008611,E0,hcp,-22.5000001112,8.0159e-06,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",PBE,-22.500237056694303,6.43088823353918e-05,6.0,1.0,-0.21659607217251786,-0.21659607217251786,E0,hcp,-22.451502426999998,8.1944e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,-22.500237056694303,6.43088823353918e-05,50.0,1.0,-0.0005284792955788515,-0.0005284792955788515,E0,hcp,-22.500118147600002,7.5908e-06,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,-22.500237056694303,6.43088823353918e-05,52.0,1.0,-0.0008190313454926509,-0.0008190313454926509,E0,hcp,-22.5000527727,7.5309e-06,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,-22.500237056694303,6.43088823353918e-05,36.0,1.0,-0.0038009483728929003,-0.0038009483728929003,E0,hcp,-22.4993818343,7.4180999999999985e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",PBE,-22.500237056694303,6.43088823353918e-05,16.0,1.0,-0.005164768670543493,-0.005164768670543493,E0,hcp,-22.4990749715,6.987900000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42122301, -22.45350455, -22.47681816, -22.49168259, -22.49858485, -22.49798876, -22.49032807, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,-22.500237056694303,6.43088823353918e-05,42.0,1.0,-0.004574277558541448,-0.004574277558541448,E0,hcp,-22.4992078334,7.4867000000000015e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42132566, -22.4536073, -22.47691962, -22.49178301, -22.49868498, -22.49808863, -22.4904266, -22.47611276, -22.45553597, -22.42905743, -22.39702697]",PBE,-22.500237056694303,6.43088823353918e-05,46.0,1.0,-0.004130745787087694,-0.004130745787087694,E0,hcp,-22.4993076291,7.4422000000000005e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,-22.500237056694303,6.43088823353918e-05,56.0,1.0,-0.0007685580995016655,-0.0007685580995016655,E0,hcp,-22.500064129299997,7.234500000000002e-06,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,-22.500237056694303,6.43088823353918e-05,66.0,1.0,-0.0007256398850087136,-0.0007256398850087136,E0,hcp,-22.500073785999998,7.632100000000001e-06,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4216947, -22.45397139, -22.47727876, -22.49213875, -22.4990354, -22.49843541, -22.49076859, -22.47645141, -22.45587221, -22.42939112, -22.3973559]",PBE,-22.500237056694303,6.43088823353918e-05,22.0,1.0,-0.002579951903803494,-0.002579951903803494,E0,hcp,-22.4996565614,7.3186000000000005e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42122303, -22.45350456, -22.47681817, -22.4916826, -22.49858486, -22.49798876, -22.49032808, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,-22.500237056694303,6.43088823353918e-05,42.0,1.0,-0.00457425222548082,-0.00457425222548082,E0,hcp,-22.4992078391,7.4876e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4213149, -22.45359244, -22.47690116, -22.49176081, -22.49865875, -22.49805893, -22.49039453, -22.47607702, -22.45549711, -22.42901505, -22.39698227]",PBE,-22.500237056694303,6.43088823353918e-05,34.0,1.0,-0.004252215618402946,-0.004252215618402946,E0,hcp,-22.4992802981,7.4448e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",PBE,-22.500237056694303,6.43088823353918e-05,24.0,1.0,-0.006843593649361691,-0.006843593649361691,E0,hcp,-22.4986972319,7.1641000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42132565, -22.45360729, -22.47691961, -22.491783, -22.49868497, -22.49808862, -22.49042659, -22.47611275, -22.45553597, -22.42905743, -22.39702697]",PBE,-22.500237056694303,6.43088823353918e-05,46.0,1.0,-0.004130789786619867,-0.004130789786619867,E0,hcp,-22.4993076192,7.4416e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",PBE,-22.500237056694303,6.43088823353918e-05,10.0,1.0,-0.03967262154532132,-0.03967262154532132,E0,hcp,-22.4913106228,8.249500000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,-22.500237056694303,6.43088823353918e-05,48.0,1.0,-0.0007960626985765878,-0.0007960626985765878,E0,hcp,-22.500057940700003,7.3724e-06,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",PBE,-22.500237056694303,6.43088823353918e-05,14.0,1.0,-0.01563850276526459,-0.01563850276526459,E0,hcp,-22.4967183565,7.983000000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42137149, -22.45365201, -22.47696203, -22.4918222, -22.49872271, -22.49812444, -22.49045953, -22.47614394, -22.45556422, -22.42908414, -22.39705103]",PBE,-22.500237056694303,6.43088823353918e-05,40.0,1.0,-0.003967240398624902,-0.003967240398624902,E0,hcp,-22.499344418200003,7.3786e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135698, -22.45363365, -22.47694062, -22.49180042, -22.49869828, -22.4980995, -22.49043391, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",PBE,-22.500237056694303,6.43088823353918e-05,30.0,1.0,-0.004076169473207012,-0.004076169473207012,E0,hcp,-22.4993199089,7.4301e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",PBE,-22.500237056694303,6.43088823353918e-05,44.0,1.0,-0.004069545987432243,-0.004069545987432243,E0,hcp,-22.4993213992,7.4620000000000016e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,-22.500237056694303,6.43088823353918e-05,36.0,1.0,-0.0038009039289288236,-0.0038009039289288236,E0,hcp,-22.499381844299997,7.4182e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",PBE,-22.500237056694303,6.43088823353918e-05,12.0,1.0,-0.0010203621131665446,-0.0010203621131665446,E0,hcp,-22.500007472800004,7.6563e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",PBE,-22.500237056694303,6.43088823353918e-05,12.0,1.0,-0.0010201541153723485,-0.0010201541153723485,E0,hcp,-22.5000075196,7.6563e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42129148, -22.45357133, -22.47688209, -22.49174304, -22.49864356, -22.49804558, -22.49038231, -22.47606744, -22.45548796, -22.42900785, -22.39697607]",PBE,-22.500237056694303,6.43088823353918e-05,48.0,1.0,-0.004317068712903424,-0.004317068712903424,E0,hcp,-22.499265706,7.4253e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42131492, -22.45359246, -22.47690117, -22.49176082, -22.49865876, -22.49805894, -22.49039454, -22.47607703, -22.45549711, -22.42901505, -22.39698227]",PBE,-22.500237056694303,6.43088823353918e-05,34.0,1.0,-0.004252173396614179,-0.004252173396614179,E0,hcp,-22.499280307600003,7.445199999999999e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,-22.500237056694303,6.43088823353918e-05,60.0,1.0,-0.0006478500379223775,-0.0006478500379223775,E0,hcp,-22.5000912889,7.806599999999999e-06,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",PBE,-22.500237056694303,6.43088823353918e-05,24.0,1.0,-0.006843638982205366,-0.006843638982205366,E0,hcp,-22.498697221700002,7.1586e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",PBE,-22.500237056694303,6.43088823353918e-05,8.0,1.0,-0.06071507367354934,0.06071507367354934,E0,hcp,-22.513898092199998,7.5280000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",PBE,-22.500237056694303,6.43088823353918e-05,22.0,1.0,-0.0025797807945046923,-0.0025797807945046923,E0,hcp,-22.499656599899996,7.319299999999999e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558208, -22.42910643, -22.39707505]",PBE,-22.500237056694303,6.43088823353918e-05,32.0,1.0,-0.003934736296657428,-0.003934736296657428,E0,hcp,-22.4993517317,7.4057e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",PBE,-22.500237056694303,6.43088823353918e-05,10.0,1.0,-0.03967260865655927,-0.03967260865655927,E0,hcp,-22.491310625700002,8.251700000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",PBE,-22.500237056694303,6.43088823353918e-05,50.0,1.0,-0.004055596801048184,-0.004055596801048184,E0,hcp,-22.499324537800003,7.5083000000000014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.49180041, -22.49869827, -22.49809949, -22.4904339, -22.47611792, -22.45553823, -22.42905763, -22.39702465]",PBE,-22.500237056694303,6.43088823353918e-05,30.0,1.0,-0.004076207250582003,-0.004076207250582003,E0,hcp,-22.4993199004,7.4288e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847664, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",PBE,-22.500237056694303,6.43088823353918e-05,14.0,1.0,-0.015638480543274658,-0.015638480543274658,E0,hcp,-22.4967183615,7.980500000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",PBE,-22.500237056694303,6.43088823353918e-05,6.0,1.0,-0.2165959263962639,-0.2165959263962639,E0,hcp,-22.4515024598,8.193800000000001e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194025, -22.50661594, -22.51335014, -22.512581, -22.50473627, -22.49027269, -22.469524, -22.44290362, -22.41070864]",PBE,-22.500237056694303,6.43088823353918e-05,8.0,1.0,-0.060715130117395884,0.060715130117395884,E0,hcp,-22.513898104899997,7.5241e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42137147, -22.453652, -22.47696201, -22.49182219, -22.4987227, -22.49812443, -22.49045952, -22.47614393, -22.45556422, -22.42908414, -22.39705103]",PBE,-22.500237056694303,6.43088823353918e-05,40.0,1.0,-0.00396728750924356,-0.00396728750924356,E0,hcp,-22.499344407600002,7.3778999999999984e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4215493, -22.45382611, -22.47713057, -22.4919918, -22.49888615, -22.49828642, -22.49061705, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,-22.500237056694303,6.43088823353918e-05,26.0,1.0,-0.0032431666940295235,-0.0032431666940295235,E0,hcp,-22.499507336500002,7.5014e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,-22.500237056694303,6.43088823353918e-05,38.0,1.0,-0.0010530799907008611,-0.0010530799907008611,E0,hcp,-22.5000001112,8.0159e-06,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",PBE,-22.500237056694303,6.43088823353918e-05,20.0,1.0,-0.0050011939495036885,-0.0050011939495036885,E0,hcp,-22.4991117762,7.4412e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,-22.500237056694303,6.43088823353918e-05,26.0,1.0,-0.003243214693527779,-0.003243214693527779,E0,hcp,-22.4995073257,7.5002000000000015e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +50,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",PBE,-22.500237056694303,6.43088823353918e-05,16.0,1.0,-0.005164578450341244,-0.005164578450341244,E0,hcp,-22.499075014299997,6.9871e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42113944, -22.45341803, -22.47672954, -22.49158754, -22.49849176, -22.49789076, -22.49022758, -22.47591526, -22.45533548, -22.42885525, -22.39682493]",PBE,-22.500237056694303,6.43088823353918e-05,20.0,1.0,-0.005001238837915459,-0.005001238837915459,E0,hcp,-22.4991117661,7.4399e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",PBE,-22.500237056694303,6.43088823353918e-05,18.0,1.0,-0.0046585473373554785,-0.0046585473373554785,E0,hcp,-22.4991888725,7.5257000000000015e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",PBE,-22.500237056694303,6.43088823353918e-05,4.0,1.0,-0.040466398515537384,-0.040466398515537384,E0,hcp,-22.4911320211,1.85258e-05,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",PBE,-22.500237056694303,6.43088823353918e-05,54.0,1.0,-0.004055386136615196,-0.004055386136615196,E0,hcp,-22.4993245852,7.5088e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,-22.500237056694303,6.43088823353918e-05,50.0,1.0,-0.0005284792955788515,-0.0005284792955788515,E0,hcp,-22.500118147600002,7.5908e-06,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,-22.500237056694303,6.43088823353918e-05,52.0,1.0,-0.0008190313454926509,-0.0008190313454926509,E0,hcp,-22.5000527727,7.5309e-06,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",PBE,-22.500237056694303,6.43088823353918e-05,28.0,1.0,-0.0052114370677417915,-0.0052114370677417915,E0,hcp,-22.499064471,7.404299999999999e-06,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,-22.500237056694303,6.43088823353918e-05,56.0,1.0,-0.0007685580995016655,-0.0007685580995016655,E0,hcp,-22.500064129299997,7.234500000000002e-06,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031584, -22.47600163, -22.45542861, -22.428954009999998, -22.39692722]",PBE,4.9188054293507095,0.00281139007319493,18.0,1.0,1.1006985888530507,1.1006985888530507,dB,hcp,4.9729466513,0.0174693383,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,4.9188054293507095,0.00281139007319493,66.0,1.0,0.18941606215394016,0.18941606215394016,dB,hcp,4.9281224369,0.017472662400000002,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,4.9188054293507095,0.00281139007319493,48.0,1.0,0.2882951308599081,0.2882951308599081,dB,hcp,4.9329861059,0.016878226899999998,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42106456, -22.45334967, -22.47666861, -22.49153288, -22.49844071, -22.49784709, -22.4901901, -22.47587963, -22.45530689, -22.42883275, -22.39680637]",PBE,4.9188054293507095,0.00281139007319493,28.0,1.0,1.1167345311428933,1.1167345311428933,dB,hcp,4.9737354281,0.01719055,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",PBE,4.9188054293507095,0.00281139007319493,4.0,1.0,0.057432616339168366,-0.057432616339168366,dB,hcp,4.9159804307,0.0429796522,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",PBE,4.9188054293507095,0.00281139007319493,38.0,1.0,1.0956144377600323,1.0956144377600323,dB,hcp,4.9726965718,0.017217684,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,4.9188054293507095,0.00281139007319493,60.0,1.0,0.23903784807448183,0.23903784807448183,dB,hcp,4.930563236,0.017866027,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42136766, -22.45364929, -22.47696281, -22.49182554, -22.49872883, -22.49813332, -22.49047227, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",PBE,4.9188054293507095,0.00281139007319493,32.0,1.0,1.0961161896661529,1.0961161896661529,dB,hcp,4.972721252,0.0171923044,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,4.9188054293507095,0.00281139007319493,38.0,1.0,0.23283602520546004,0.23283602520546004,dB,hcp,4.9302581804,0.0183503006,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",PBE,4.9188054293507095,0.00281139007319493,6.0,1.0,1.2707053602146892,1.2707053602146892,dB,hcp,4.9813089536,0.019134371,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,4.9188054293507095,0.00281139007319493,50.0,1.0,0.29950363275978337,0.29950363275978337,dB,hcp,4.9335374303,0.01737826,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,4.9188054293507095,0.00281139007319493,52.0,1.0,0.16878954796117562,0.16878954796117562,dB,hcp,4.9271078588,0.017239034400000002,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,4.9188054293507095,0.00281139007319493,36.0,1.0,1.0957597453982895,1.0957597453982895,dB,hcp,4.9727037192,0.0172185722,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",PBE,4.9188054293507095,0.00281139007319493,16.0,1.0,1.13106743798635,1.13106743798635,dB,hcp,4.9744404359,0.0162188588,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42122301, -22.45350455, -22.47681816, -22.49168259, -22.49858485, -22.49798876, -22.49032807, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,4.9188054293507095,0.00281139007319493,42.0,1.0,1.0989390071569691,1.0989390071569691,dB,hcp,4.972860100899999,0.0173790399,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42132566, -22.4536073, -22.47691962, -22.49178301, -22.49868498, -22.49808863, -22.4904266, -22.47611276, -22.45553597, -22.42905743, -22.39702697]",PBE,4.9188054293507095,0.00281139007319493,46.0,1.0,1.1044672437157481,1.1044672437157481,dB,hcp,4.9731320241,0.0172750562,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,4.9188054293507095,0.00281139007319493,56.0,1.0,0.2495005449099506,0.2495005449099506,dB,hcp,4.9310778757,0.0165616395,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,4.9188054293507095,0.00281139007319493,66.0,1.0,0.18941606215394016,0.18941606215394016,dB,hcp,4.9281224369,0.017472662400000002,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4216947, -22.45397139, -22.47727876, -22.49213875, -22.4990354, -22.49843541, -22.49076859, -22.47645141, -22.45587221, -22.42939112, -22.3973559]",PBE,4.9188054293507095,0.00281139007319493,22.0,1.0,1.1078036594849294,1.1078036594849294,dB,hcp,4.9732961359,0.0169877349,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42122303, -22.45350456, -22.47681817, -22.4916826, -22.49858486, -22.49798876, -22.49032808, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,4.9188054293507095,0.00281139007319493,42.0,1.0,1.0988659325039567,1.0988659325039567,dB,hcp,4.972856506499999,0.0173801009,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4213149, -22.45359244, -22.47690116, -22.49176081, -22.49865875, -22.49805893, -22.49039453, -22.47607702, -22.45549711, -22.42901505, -22.39698227]",PBE,4.9188054293507095,0.00281139007319493,34.0,1.0,1.102837998543304,1.102837998543304,dB,hcp,4.9730518847,0.01728098,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",PBE,4.9188054293507095,0.00281139007319493,24.0,1.0,1.1030322835203676,1.1030322835203676,dB,hcp,4.9730614412000005,0.0166282445,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42132565, -22.45360729, -22.47691961, -22.491783, -22.49868497, -22.49808862, -22.49042659, -22.47611275, -22.45553597, -22.42905743, -22.39702697]",PBE,4.9188054293507095,0.00281139007319493,46.0,1.0,1.1045399036339192,1.1045399036339192,dB,hcp,4.9731355981,0.017274509900000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",PBE,4.9188054293507095,0.00281139007319493,10.0,1.0,1.1300128303027266,1.1300128303027266,dB,hcp,4.9743885618,0.019155222,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,4.9188054293507095,0.00281139007319493,48.0,1.0,0.2882951308599081,0.2882951308599081,dB,hcp,4.9329861059,0.016878226899999998,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",PBE,4.9188054293507095,0.00281139007319493,14.0,1.0,1.0707270861950386,1.0707270861950386,dB,hcp,4.9714724114,0.0185354706,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42137149, -22.45365201, -22.47696203, -22.4918222, -22.49872271, -22.49812444, -22.49045953, -22.47614394, -22.45556422, -22.42908414, -22.39705103]",PBE,4.9188054293507095,0.00281139007319493,40.0,1.0,1.1106923893206733,1.1106923893206733,dB,hcp,4.9734382269,0.017127423500000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135698, -22.45363365, -22.47694062, -22.49180042, -22.49869828, -22.4980995, -22.49043391, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",PBE,4.9188054293507095,0.00281139007319493,30.0,1.0,1.0854029177636666,1.0854029177636666,dB,hcp,4.972194287,0.0172462861,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",PBE,4.9188054293507095,0.00281139007319493,44.0,1.0,1.097801062165988,1.097801062165988,dB,hcp,4.9728041276,0.017319641400000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,4.9188054293507095,0.00281139007319493,36.0,1.0,1.0959244500225342,1.0959244500225342,dB,hcp,4.9727118207,0.0172192535,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",PBE,4.9188054293507095,0.00281139007319493,12.0,1.0,1.1199532780983088,1.1199532780983088,dB,hcp,4.973893752,0.0177650964,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",PBE,4.9188054293507095,0.00281139007319493,12.0,1.0,1.1200848791565943,1.1200848791565943,dB,hcp,4.9739002252,0.017764349500000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42129148, -22.45357133, -22.47688209, -22.49174304, -22.49864356, -22.49804558, -22.49038231, -22.47606744, -22.45548796, -22.42900785, -22.39697607]",PBE,4.9188054293507095,0.00281139007319493,48.0,1.0,1.0963303534534936,1.0963303534534936,dB,hcp,4.9727317863,0.017236035900000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42131492, -22.45359246, -22.47690117, -22.49176082, -22.49865876, -22.49805894, -22.49039454, -22.47607703, -22.45549711, -22.42901505, -22.39698227]",PBE,4.9188054293507095,0.00281139007319493,34.0,1.0,1.1026868581880613,1.1026868581880613,dB,hcp,4.973044450400001,0.0172824729,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,4.9188054293507095,0.00281139007319493,60.0,1.0,0.23903784807448183,0.23903784807448183,dB,hcp,4.930563236,0.017866027,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",PBE,4.9188054293507095,0.00281139007319493,24.0,1.0,1.1026744974633023,1.1026744974633023,dB,hcp,4.9730438424,0.0166165045,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",PBE,4.9188054293507095,0.00281139007319493,8.0,1.0,1.0659323427682632,1.0659323427682632,dB,hcp,4.9712365673,0.017457458800000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",PBE,4.9188054293507095,0.00281139007319493,22.0,1.0,1.1077934822171585,1.1077934822171585,dB,hcp,4.9732956353,0.0169903683,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558208, -22.42910643, -22.39707505]",PBE,4.9188054293507095,0.00281139007319493,32.0,1.0,1.0963121112194283,1.0963121112194283,dB,hcp,4.972730889,0.017190392000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",PBE,4.9188054293507095,0.00281139007319493,10.0,1.0,1.1300231193862735,1.1300231193862735,dB,hcp,4.9743890679,0.0191606522,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",PBE,4.9188054293507095,0.00281139007319493,50.0,1.0,1.1068546404462596,1.1068546404462596,dB,hcp,4.9732494555,0.0174287285,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.49180041, -22.49869827, -22.49809949, -22.4904339, -22.47611792, -22.45553823, -22.42905763, -22.39702465]",PBE,4.9188054293507095,0.00281139007319493,30.0,1.0,1.0855268299632492,1.0855268299632492,dB,hcp,4.9722003820000005,0.017243681,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847664, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",PBE,4.9188054293507095,0.00281139007319493,14.0,1.0,1.0703444323114928,1.0703444323114928,dB,hcp,4.9714535894,0.0185297399,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",PBE,4.9188054293507095,0.00281139007319493,6.0,1.0,1.2710961075267269,1.2710961075267269,dB,hcp,4.9813281737,0.019133750300000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194025, -22.50661594, -22.51335014, -22.512581, -22.50473627, -22.49027269, -22.469524, -22.44290362, -22.41070864]",PBE,4.9188054293507095,0.00281139007319493,8.0,1.0,1.065502130589649,1.065502130589649,dB,hcp,4.971215406000001,0.0174493407,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42137147, -22.453652, -22.47696201, -22.49182219, -22.4987227, -22.49812443, -22.49045952, -22.47614393, -22.45556422, -22.42908414, -22.39705103]",PBE,4.9188054293507095,0.00281139007319493,40.0,1.0,1.1107227727139923,1.1107227727139923,dB,hcp,4.9734397214,0.0171256303,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4215493, -22.45382611, -22.47713057, -22.4919918, -22.49888615, -22.49828642, -22.49061705, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,4.9188054293507095,0.00281139007319493,26.0,1.0,1.096049148998504,1.096049148998504,dB,hcp,4.9727179544,0.0174119389,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,4.9188054293507095,0.00281139007319493,38.0,1.0,0.23283602520546004,0.23283602520546004,dB,hcp,4.9302581804,0.0183503006,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",PBE,4.9188054293507095,0.00281139007319493,20.0,1.0,1.0944902644054562,1.0944902644054562,dB,hcp,4.9726412759,0.0172725251,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,4.9188054293507095,0.00281139007319493,26.0,1.0,1.0958262086899677,1.0958262086899677,dB,hcp,4.9727069884,0.0174090716,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +50,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",PBE,4.9188054293507095,0.00281139007319493,16.0,1.0,1.131146217276477,1.131146217276477,dB,hcp,4.9744443109,0.0162167852,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42113944, -22.45341803, -22.47672954, -22.49158754, -22.49849176, -22.49789076, -22.49022758, -22.47591526, -22.45533548, -22.42885525, -22.39682493]",PBE,4.9188054293507095,0.00281139007319493,20.0,1.0,1.0946756793426937,1.0946756793426937,dB,hcp,4.9726503961,0.0172697924,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",PBE,4.9188054293507095,0.00281139007319493,18.0,1.0,1.1001105212741402,1.1001105212741402,dB,hcp,4.9729177254,0.017469406700000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",PBE,4.9188054293507095,0.00281139007319493,4.0,1.0,0.0541048327471812,-0.0541048327471812,dB,hcp,4.9161441179,0.0429640542,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",PBE,4.9188054293507095,0.00281139007319493,54.0,1.0,1.104300585365109,1.104300585365109,dB,hcp,4.9731238265,0.017428916000000003,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,4.9188054293507095,0.00281139007319493,50.0,1.0,0.29950363275978337,0.29950363275978337,dB,hcp,4.9335374303,0.01737826,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,4.9188054293507095,0.00281139007319493,52.0,1.0,0.16878954796117562,0.16878954796117562,dB,hcp,4.9271078588,0.017239034400000002,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",PBE,4.9188054293507095,0.00281139007319493,28.0,1.0,1.1166357429295681,1.1166357429295681,dB,hcp,4.9737305689,0.017187153700000003,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,4.9188054293507095,0.00281139007319493,56.0,1.0,0.2495005449099506,0.2495005449099506,dB,hcp,4.9310778757,0.0165616395,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42119432, -22.4534777, -22.4767946, -22.49165883, -22.49856592, -22.49796946, -22.49031584, -22.47600163, -22.45542861, -22.428954009999998, -22.39692722]",PBE,28.548455001627694,0.000590268686295233,18.0,1.0,0.030088357047044136,0.030088357047044136,v0,hcp,28.5570447627,0.0001573305,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,28.548455001627694,0.000590268686295233,66.0,1.0,0.00478907622926758,0.00478907622926758,v0,hcp,28.5498222089,0.0001603256,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,28.548455001627694,0.000590268686295233,48.0,1.0,0.00472125294425808,0.00472125294425808,v0,hcp,28.5498028464,0.0001548714,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42106456, -22.45334967, -22.47666861, -22.49153288, -22.49844071, -22.49784709, -22.4901901, -22.47587963, -22.45530689, -22.42883275, -22.39680637]",PBE,28.548455001627694,0.000590268686295233,28.0,1.0,0.030185687007628168,0.030185687007628168,v0,hcp,28.5570725489,0.00015481890000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41885239, -22.44960767, -22.47153508, -22.4851448, -22.49094077, -22.48920121, -22.48052533, -22.46531251, -22.44385438, -22.41653455, -22.38378851]",PBE,28.548455001627694,0.000590268686295233,4.0,1.0,0.12130153847456349,-0.12130153847456349,v0,hcp,28.5138252865,0.0003800372,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42121, -22.45349161, -22.47680421, -22.4916689, -22.49856929, -22.497972269999998, -22.49031094, -22.4759961, -22.45541755, -22.42893858, -22.39690599]",PBE,28.548455001627694,0.000590268686295233,38.0,1.0,0.029607836472517152,0.029607836472517152,v0,hcp,28.556907581500006,0.00015505680000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,28.548455001627694,0.000590268686295233,60.0,1.0,0.004900603455515876,0.004900603455515876,v0,hcp,28.5498540482,0.0001639066,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42136766, -22.45364929, -22.47696281, -22.49182554, -22.49872883, -22.49813332, -22.49047227, -22.47615875, -22.45558209, -22.42910643, -22.39707505]",PBE,28.548455001627694,0.000590268686295233,32.0,1.0,0.029753591120147124,0.029753591120147124,v0,hcp,28.556949192199998,0.00015482470000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,28.548455001627694,0.000590268686295233,38.0,1.0,0.005106599191520766,0.005106599191520766,v0,hcp,28.5499128568,0.0001683764,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.36959445, -22.40276184, -22.42698301, -22.44271706, -22.45046894, -22.45072345, -22.44389737, -22.43046966, -22.41070395, -22.38505606, -22.35384701]",PBE,28.548455001627694,0.000590268686295233,6.0,1.0,0.1478582973050558,0.1478582973050558,v0,hcp,28.5906662611,0.00017421840000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,28.548455001627694,0.000590268686295233,50.0,1.0,0.004771466169458688,0.004771466169458688,v0,hcp,28.5498171815,0.000159461,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,28.548455001627694,0.000590268686295233,52.0,1.0,0.004881433241221215,0.004881433241221215,v0,hcp,28.5498485754,0.0001581758,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42140646, -22.45368672, -22.47699809, -22.49185886, -22.49875955, -22.49816217, -22.49049811, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,28.548455001627694,0.000590268686295233,36.0,1.0,0.02943041706399003,0.02943041706399003,v0,hcp,28.556856931,0.0001550582,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4211692, -22.45343632, -22.47673127, -22.49157215, -22.4984574, -22.49784926, -22.49016492, -22.47583844, -22.45524413, -22.42875443, -22.39670506]",PBE,28.548455001627694,0.000590268686295233,16.0,1.0,0.027301811855890284,0.027301811855890284,v0,hcp,28.556249247100002,0.0001460259,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42122301, -22.45350455, -22.47681816, -22.49168259, -22.49858485, -22.49798876, -22.49032807, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,28.548455001627694,0.000590268686295233,42.0,1.0,0.029750265195859552,0.029750265195859552,v0,hcp,28.5569482427,0.0001565135,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42132566, -22.4536073, -22.47691962, -22.49178301, -22.49868498, -22.49808863, -22.4904266, -22.47611276, -22.45553597, -22.42905743, -22.39702697]",PBE,28.548455001627694,0.000590268686295233,46.0,1.0,0.029649870270822134,0.029649870270822134,v0,hcp,28.5569195815,0.00015557100000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,28.548455001627694,0.000590268686295233,56.0,1.0,0.004982568311396029,0.004982568311396029,v0,hcp,28.5498774479,0.00015196990000000002,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39892797, -22.4364835, -22.46486473, -22.48460186, -22.49618329, -22.50008629, -22.49674933, -22.48659045, -22.47000706, -22.44737153, -22.41903223]",PBE,28.548455001627694,0.000590268686295233,66.0,1.0,0.00478907622926758,0.00478907622926758,v0,hcp,28.5498222089,0.0001603256,"[27.1143286583, 27.3997426442, 27.6851566301, 27.970570616, 28.2559846019, 28.5413985877, 28.8268125736, 29.1122265595, 29.3976405454, 29.6830545312, 29.9684685171]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4216947, -22.45397139, -22.47727876, -22.49213875, -22.4990354, -22.49843541, -22.49076859, -22.47645141, -22.45587221, -22.42939112, -22.3973559]",PBE,28.548455001627694,0.000590268686295233,22.0,1.0,0.029089611230559774,0.029089611230559774,v0,hcp,28.5567596362,0.0001529815,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42122303, -22.45350456, -22.47681817, -22.4916826, -22.49858486, -22.49798876, -22.49032808, -22.47601534, -22.45543804, -22.42896045, -22.39693064]",PBE,28.548455001627694,0.000590268686295233,42.0,1.0,0.029750115275312235,0.029750115275312235,v0,hcp,28.5569481999,0.0001565194,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4213149, -22.45359244, -22.47690116, -22.49176081, -22.49865875, -22.49805893, -22.49039453, -22.47607702, -22.45549711, -22.42901505, -22.39698227]",PBE,28.548455001627694,0.000590268686295233,34.0,1.0,0.02917702541812008,0.02917702541812008,v0,hcp,28.5567845916,0.00015561940000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42068056, -22.45296996, -22.47629404, -22.49116264, -22.49807175, -22.49748041, -22.48982557, -22.47551812, -22.4549448, -22.42847271, -22.39644356]",PBE,28.548455001627694,0.000590268686295233,24.0,1.0,0.030543067118027914,0.030543067118027914,v0,hcp,28.5571745754,0.0001497653,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42132565, -22.45360729, -22.47691961, -22.491783, -22.49868497, -22.49808862, -22.49042659, -22.47611275, -22.45553597, -22.42905743, -22.39702697]",PBE,28.548455001627694,0.000590268686295233,46.0,1.0,0.029649890937435128,0.029649890937435128,v0,hcp,28.5569195874,0.00015556630000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41280418, -22.44520117, -22.46865478, -22.48362866, -22.49064333, -22.49015273, -22.48258774, -22.46838126, -22.4478925, -22.42150572, -22.38956193]",PBE,28.548455001627694,0.000590268686295233,10.0,1.0,0.04442612733888369,0.04442612733888369,v0,hcp,28.5611379746,0.0001727691,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.3988993, -22.43646132, -22.46484493, -22.48458331, -22.49616705, -22.50006873, -22.49673425, -22.48657806, -22.46999716, -22.44736286, -22.41902863]",PBE,28.548455001627694,0.000590268686295233,48.0,1.0,0.00472125294425808,0.00472125294425808,v0,hcp,28.5498028464,0.0001548714,"[27.1142732044, 27.3996866066, 27.6851000087, 27.9705134109, 28.255926813, 28.5413402152, 28.8267536174, 29.1121670195, 29.3975804217, 29.6829938238, 29.968407226]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41847665, -22.45081585, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792787, -22.47366322, -22.45313528, -22.42670716, -22.39472701]",PBE,28.548455001627694,0.000590268686295233,14.0,1.0,0.03735417405844471,0.03735417405844471,v0,hcp,28.5591190412,0.0001670575,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42137149, -22.45365201, -22.47696203, -22.4918222, -22.49872271, -22.49812444, -22.49045953, -22.47614394, -22.45556422, -22.42908414, -22.39705103]",PBE,28.548455001627694,0.000590268686295233,40.0,1.0,0.029336623897253493,0.029336623897253493,v0,hcp,28.5568301545,0.00015423799999999998,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135698, -22.45363365, -22.47694062, -22.49180042, -22.49869828, -22.4980995, -22.49043391, -22.47611792, -22.45553824, -22.429057620000002, -22.39702465]",PBE,28.548455001627694,0.000590268686295233,30.0,1.0,0.029207638983721616,0.029207638983721616,v0,hcp,28.5567933313,0.00015531020000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42135169, -22.45363018, -22.47693991, -22.49179987, -22.49869966, -22.49810098, -22.49043711, -22.47612127, -22.45554092, -22.4290615, -22.39702879]",PBE,28.548455001627694,0.000590268686295233,44.0,1.0,0.02932274468733131,0.02932274468733131,v0,hcp,28.5568261922,0.0001559733,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42140646, -22.45368673, -22.4769981, -22.49185887, -22.49875956, -22.49816218, -22.49049812, -22.47618272, -22.45560387, -22.42912281, -22.39709052]",PBE,28.548455001627694,0.000590268686295233,36.0,1.0,0.029430110217274208,0.029430110217274208,v0,hcp,28.556856843400002,0.00015506570000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42200434, -22.45430053, -22.4776157, -22.49248023, -22.49938636, -22.498789, -22.49112079, -22.47679398, -22.4562072, -22.42972001, -22.39767216]",PBE,28.548455001627694,0.000590268686295233,12.0,1.0,0.029282923267928723,0.029282923267928723,v0,hcp,28.5568148238,0.0001599784,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42200431, -22.45430052, -22.47761572, -22.49248026, -22.4993864, -22.49878905, -22.49112085, -22.47679405, -22.45620727, -22.42972008, -22.39767224]",PBE,28.548455001627694,0.000590268686295233,12.0,1.0,0.029284269750613556,0.029284269750613556,v0,hcp,28.556815208200003,0.0001599724,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42129148, -22.45357133, -22.47688209, -22.49174304, -22.49864356, -22.49804558, -22.49038231, -22.47606744, -22.45548796, -22.42900785, -22.39697607]",PBE,28.548455001627694,0.000590268686295233,48.0,1.0,0.029430775402119275,0.029430775402119275,v0,hcp,28.5568570333,0.0001552147,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42131492, -22.45359246, -22.47690117, -22.49176082, -22.49865876, -22.49805894, -22.49039454, -22.47607703, -22.45549711, -22.42901505, -22.39698227]",PBE,28.548455001627694,0.000590268686295233,34.0,1.0,0.029176974627282456,0.029176974627282456,v0,hcp,28.5567845771,0.0001556308,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39874372, -22.43634367, -22.46476656, -22.4845438, -22.49616342, -22.50010306, -22.49680146, -22.48667473, -22.47012623, -22.44752118, -22.41921558]",PBE,28.548455001627694,0.000590268686295233,60.0,1.0,0.004900603455515876,0.004900603455515876,v0,hcp,28.5498540482,0.0001639066,"[27.1130211994, 27.3984214225, 27.6838216457, 27.9692218688, 28.254622092, 28.5400223152, 28.8254225383, 29.1108227615, 29.3962229846, 29.6816232078, 29.9670234309]" +35,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42068058, -22.45296999, -22.47629403, -22.49116263, -22.49807174, -22.4974804, -22.48982556, -22.47551812, -22.4549448, -22.42847278, -22.39644356]",PBE,28.548455001627694,0.000590268686295233,24.0,1.0,0.030543543851353126,0.030543543851353126,v0,hcp,28.5571747115,0.0001496585,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.43673901, -22.46884461, -22.49194025, -22.50661594, -22.51335012, -22.51258101, -22.50473624, -22.49027263, -22.46952394, -22.44290355, -22.41070858]",PBE,28.548455001627694,0.000590268686295233,8.0,1.0,0.005575775194187548,0.005575775194187548,v0,hcp,28.5500467993,0.0001568057,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42169471, -22.45397141, -22.47727878, -22.49213878, -22.49903544, -22.49843545, -22.49076864, -22.47645146, -22.45587227, -22.42939118, -22.39735597]",PBE,28.548455001627694,0.000590268686295233,22.0,1.0,0.029090426686252505,0.029090426686252505,v0,hcp,28.556759869,0.0001529993,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42136763, -22.45364928, -22.4769628, -22.49182553, -22.49872882, -22.49813332, -22.49047226, -22.47615875, -22.45558208, -22.42910643, -22.39707505]",PBE,28.548455001627694,0.000590268686295233,32.0,1.0,0.029753610735933744,0.029753610735933744,v0,hcp,28.5569491978,0.00015481080000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41280419, -22.44520117, -22.46865478, -22.48362866, -22.49064334, -22.49015274, -22.48258775, -22.46838125, -22.4478925, -22.42150573, -22.38956194]",PBE,28.548455001627694,0.000590268686295233,10.0,1.0,0.04442612033325005,0.04442612033325005,v0,hcp,28.5611379726,0.0001728198,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134697, -22.45362742, -22.47693878, -22.49180182, -22.49870243, -22.49810457, -22.49044199, -22.47612682, -22.45554791, -22.42906891, -22.39703705]",PBE,28.548455001627694,0.000590268686295233,50.0,1.0,0.029494313691671423,0.029494313691671423,v0,hcp,28.5568751725,0.0001569545,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42135696, -22.45363364, -22.47694061, -22.49180041, -22.49869827, -22.49809949, -22.4904339, -22.47611792, -22.45553823, -22.42905763, -22.39702465]",PBE,28.548455001627694,0.000590268686295233,30.0,1.0,0.029207706938367863,0.029207706938367863,v0,hcp,28.5567933507,0.0001552843,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.41847664, -22.45081584, -22.47419158, -22.48911216, -22.49607601, -22.49552625, -22.48792788, -22.47366324, -22.4531353, -22.42670718, -22.39472701]",PBE,28.548455001627694,0.000590268686295233,14.0,1.0,0.03735510755905795,0.03735510755905795,v0,hcp,28.5591193077,0.00016700460000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.36959444, -22.40276185, -22.42698305, -22.44271709, -22.45046897, -22.45072348, -22.4438974, -22.43046968, -22.41070397, -22.38505608, -22.35384703]",PBE,28.548455001627694,0.000590268686295233,6.0,1.0,0.14785795858270073,0.14785795858270073,v0,hcp,28.5906661644,0.000174212,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.436739, -22.46884459, -22.49194025, -22.50661594, -22.51335014, -22.512581, -22.50473627, -22.49027269, -22.469524, -22.44290362, -22.41070864]",PBE,28.548455001627694,0.000590268686295233,8.0,1.0,0.0055776169751329445,0.0055776169751329445,v0,hcp,28.550047325100003,0.0001567362,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42137147, -22.453652, -22.47696201, -22.49182219, -22.4987227, -22.49812443, -22.49045952, -22.47614393, -22.45556422, -22.42908414, -22.39705103]",PBE,28.548455001627694,0.000590268686295233,40.0,1.0,0.029336823908075065,0.029336823908075065,v0,hcp,28.556830211599998,0.00015422340000000002,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.4215493, -22.45382611, -22.47713057, -22.4919918, -22.49888615, -22.49828642, -22.49061705, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,28.548455001627694,0.000590268686295233,26.0,1.0,0.028906421632406733,0.028906421632406733,v0,hcp,28.556707338400003,0.00015679209999999998,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39883408, -22.43639376, -22.46478083, -22.48451954, -22.4961105, -22.5000125, -22.49667701, -22.48652163, -22.46994233, -22.44730616, -22.41897317]",PBE,28.548455001627694,0.000590268686295233,38.0,1.0,0.005106599191520766,0.005106599191520766,v0,hcp,28.5499128568,0.0001683764,"[27.1143123253, 27.3997261393, 27.6851399532, 27.9705537672, 28.2559675811, 28.5413813951, 28.826795209, 29.112209023, 29.3976228369, 29.6830366509, 29.9684504648]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42113947, -22.45341805, -22.47672955, -22.49158755, -22.49849178, -22.49789077, -22.49022759, -22.47591526, -22.45533549, -22.42885525, -22.39682493]",PBE,28.548455001627694,0.000590268686295233,20.0,1.0,0.029437121104541962,0.029437121104541962,v0,hcp,28.5568588449,0.0001555496,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42154931, -22.45382613, -22.47713055, -22.49199179, -22.49888614, -22.49828641, -22.49061704, -22.47629825, -22.45571481, -22.42923313, -22.39719483]",PBE,28.548455001627694,0.000590268686295233,26.0,1.0,0.02890658906702569,0.02890658906702569,v0,hcp,28.5567073862,0.0001567688,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +50,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.4211692, -22.45343634, -22.47673129, -22.49157218, -22.49845744, -22.49784931, -22.49016497, -22.4758385, -22.4552442, -22.42875451, -22.39670514]",PBE,28.548455001627694,0.000590268686295233,16.0,1.0,0.027302796147328702,0.027302796147328702,v0,hcp,28.5562495281,0.0001460075,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42113944, -22.45341803, -22.47672954, -22.49158754, -22.49849176, -22.49789076, -22.49022758, -22.47591526, -22.45533548, -22.42885525, -22.39682493]",PBE,28.548455001627694,0.000590268686295233,20.0,1.0,0.029437200618489926,0.029437200618489926,v0,hcp,28.556858867600003,0.0001555242,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42119435, -22.45347773, -22.47679461, -22.49165885, -22.49856593, -22.49796947, -22.49031585, -22.47600163, -22.45542861, -22.42895395, -22.39692716]",PBE,28.548455001627694,0.000590268686295233,18.0,1.0,0.030088221838327444,0.030088221838327444,v0,hcp,28.5570447241,0.0001573318,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.41885235, -22.44960767, -22.47153506, -22.48514513, -22.49094075, -22.48920119, -22.48052531, -22.46531249, -22.44385436, -22.41653454, -22.38378852]",PBE,28.548455001627694,0.000590268686295233,4.0,1.0,0.12130638146870866,-0.12130638146870866,v0,hcp,28.513823903899997,0.0003799038,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +54,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.42134892, -22.45362894, -22.47694015, -22.49180218, -22.49870264, -22.49810468, -22.49044111, -22.47612525, -22.45554634, -22.42906613, -22.3970338]",PBE,28.548455001627694,0.000590268686295233,54.0,1.0,0.029428505927296542,0.029428505927296542,v0,hcp,28.5568563854,0.00015695719999999998,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.39897595, -22.43653358, -22.46491382, -22.4846505, -22.49623105, -22.50012933, -22.49679144, -22.48663211, -22.47004881, -22.44741217, -22.41907598]",PBE,28.548455001627694,0.000590268686295233,50.0,1.0,0.004771466169458688,0.004771466169458688,v0,hcp,28.5498171815,0.000159461,"[27.1144008208, 27.3998155663, 27.6852303118, 27.9706450572, 28.2560598027, 28.5414745482, 28.8268892937, 29.1123040392, 29.3977187847, 29.6831335301, 29.9685482756]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.3988482, -22.4364156, -22.46480909, -22.48455778, -22.49615076, -22.50006511, -22.49673844, -22.48658999, -22.47001727, -22.44739243, -22.41906037]",PBE,28.548455001627694,0.000590268686295233,52.0,1.0,0.004881433241221215,0.004881433241221215,v0,hcp,28.5498485754,0.0001581758,"[27.1139377652, 27.3993476364, 27.6847575077, 27.9701673789, 28.2555772501, 28.5409871213, 28.8263969925, 29.1118068637, 29.3972167349, 29.6826266061, 29.9680364774]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Os,"[-22.42106457, -22.45334969, -22.47666864, -22.49153291, -22.49844075, -22.49784713, -22.49019015, -22.47587969, -22.45530695, -22.42883281, -22.39680643]",PBE,28.548455001627694,0.000590268686295233,28.0,1.0,0.030186581626968516,0.030186581626968516,v0,hcp,28.5570728043,0.0001547904,"[27.2886789566, 27.5759282088, 27.863177461, 28.1504267131, 28.4376759653, 28.7249252175, 29.0121744697, 29.2994237218, 29.586672974, 29.8739222262, 30.1611714784]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Os,"[-22.39891127, -22.43647039, -22.46485545, -22.48459054, -22.49617264, -22.50007636, -22.49673917, -22.48658144, -22.47000045, -22.44736487, -22.41902663]",PBE,28.548455001627694,0.000590268686295233,56.0,1.0,0.004982568311396029,0.004982568311396029,v0,hcp,28.5498774479,0.00015196990000000002,"[27.1143730963, 27.3997875499, 27.6852020036, 27.9706164572, 28.2560309109, 28.5414453645, 28.8268598182, 29.1122742718, 29.3976887255, 29.6831031791, 29.9685176327]" +0,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Pd,"[-5.19246719, -5.20101763, -5.20749287, -5.21200214, -5.21467267, -5.21562077, -5.21495093, -5.21277054, -5.20917536, -5.20425092, -5.19809193]",PBE,168.246007021529,0.00905599698654783,36.0,1.0,0.04964278529257066,-0.04964278529257066,B,FindHistory,168.1624850175,0.0553419106,"[14.5193056982, 14.672140495, 14.8249752918, 14.9778100886, 15.1306448855, 15.2834796823, 15.4363144791, 15.5891492759, 15.7419840727, 15.8948188696, 16.0476536664]" +1,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Pd,"[-5.19262168, -5.20116693, -5.20761976, -5.2121068600000005, -5.21475574, -5.21567968, -5.21499396, -5.21279652, -5.20918099, -5.20424148, -5.19806272]",PBE,168.246007021529,0.00905599698654783,34.0,1.0,0.0062849071524448494,-0.0062849071524448494,B,FindHistory,168.2354329162,0.0293903871,"[14.5198162607, 14.6726564318, 14.825496603, 14.9783367742, 15.1311769453, 15.2840171165, 15.4368572877, 15.5896974588, 15.74253763, 15.8953778011, 16.0482179723]" +2,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Pd,"[-5.19265213, -5.20120689, -5.20767277, -5.212175, -5.21483869, -5.21577467, -5.21509394, -5.21290423, -5.20929554, -5.20436144, -5.19818804]",PBE,168.246007021529,0.00905599698654783,40.0,1.0,0.04612530623746991,0.04612530623746991,B,FindHistory,168.3236110075,0.044833709900000004,"[14.5188492165, 14.6716792082, 14.8245092, 14.9773391917, 15.1301691835, 15.2829991752, 15.435829167, 15.5886591588, 15.7414891505, 15.8943191423, 16.047149134]" +3,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Pd,"[-5.19255129, -5.20111795, -5.20759213, -5.21210265, -5.21477655, -5.21572453, -5.21505699, -5.21287592, -5.20927815, -5.2043546, -5.19818898]",PBE,168.246007021529,0.00905599698654783,48.0,1.0,0.013386655570439039,0.013386655570439039,B,FindHistory,168.268529535,0.037630978700000005,"[14.5183487081, 14.6711734313, 14.8239981546, 14.9768228778, 15.1296476011, 15.2824723243, 15.4352970475, 15.5881217708, 15.740946494, 15.8937712173, 16.0465959405]" +4,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Pd,"[-5.19255474, -5.20112521, -5.20760677, -5.21212138, -5.21479664, -5.2157488, -5.21508329, -5.21290559, -5.20931157, -5.20439001, -5.19823317]",PBE,168.246007021529,0.00905599698654783,60.0,1.0,0.003051048617360973,0.003051048617360973,B,FindHistory,168.251140289,0.0431987157,"[14.5180068612, 14.6708279861, 14.8236491109, 14.9764702358, 15.1292913606, 15.2821124855, 15.4349336103, 15.5877547352, 15.74057586, 15.8933969849, 16.0462181098]" +5,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Pd,"[-5.19252238, -5.20109398, -5.20757463, -5.21209138, -5.21477184, -5.21572496, -5.21506301, -5.21288845, -5.20929509, -5.20438147, -5.19822405]",PBE,168.246007021529,0.00905599698654783,64.0,1.0,0.019911884877431056,-0.019911884877431056,B,FindHistory,168.2125060703,0.043805818600000004,"[14.5179104401, 14.67073055, 14.8235506599, 14.9763707698, 15.1291908797, 15.2820109896, 15.4348310995, 15.5876512094, 15.7404713193, 15.8932914292, 16.0461115391]" +6,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Pd,"[-5.19278082, -5.20131249, -5.20775088, -5.21223356, -5.21487745, -5.21580016, -5.21510996, -5.21290267, -5.20928522, -5.20433968, -5.1981575]",PBE,168.246007021529,0.00905599698654783,24.0,1.0,0.03534542559538216,-0.03534542559538216,B,FindHistory,168.18653975430001,0.041985320300000004,"[14.5217048821, 14.6745649334, 14.8274249848, 14.9802850362, 15.1331450876, 15.286005139, 15.4388651904, 15.5917252418, 15.7445852932, 15.8974453446, 16.050305396]" +7,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Pd,"[-5.19257153, -5.20113627, -5.20761412, -5.21212533, -5.21479566, -5.2157442, -5.21507752, -5.2129009, -5.20930862, -5.20438479, -5.1982264]",PBE,168.246007021529,0.00905599698654783,54.0,1.0,0.03192674731480373,-0.03192674731480373,B,FindHistory,168.192291544,0.0357869794,"[14.5181155635, 14.6709378326, 14.8237601017, 14.9765823708, 15.1294046399, 15.2822269089, 15.435049178, 15.5878714471, 15.7406937162, 15.8935159853, 16.0463382544]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Pd,"[-5.19258355, -5.20113967, -5.20760224, -5.21210146, -5.21476329, -5.21569896, -5.2150198, -5.21282557, -5.20922229, -5.2042942, -5.1981265]",PBE,168.246007021529,0.00905599698654783,42.0,1.0,0.01840210723399192,-0.01840210723399192,B,FindHistory,168.2150462109,0.044488417300000006,"[14.5187842474, 14.6716135553, 14.8244428632, 14.977272171, 15.1301014789, 15.2829307868, 15.4357600947, 15.5885894025, 15.7414187104, 15.8942480183, 16.0470773261]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Pd,"[-5.19252699, -5.20110197, -5.20758067, -5.21209909, -5.21477802, -5.21572973, -5.21506917, -5.21289228, -5.20929973, -5.20438473, -5.19822527]",PBE,168.246007021529,0.00905599698654783,70.0,1.0,0.006316373515854115,-0.006316373515854115,B,FindHistory,168.23537997530002,0.0390841633,"[14.5178160756, 14.6706351922, 14.8234543087, 14.9762734253, 15.1290925419, 15.2819116585, 15.4347307751, 15.5875498917, 15.7403690082, 15.8931881248, 16.0460072414]" +10,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Pd,"[-5.19254579, -5.2011172, -5.20759872, -5.21211358, -5.2147931, -5.21574854, -5.21508706, -5.21291234, -5.20931706, -5.20439971, -5.19823927]",PBE,168.246007021529,0.00905599698654783,68.0,1.0,0.006249289155279967,0.006249289155279967,B,FindHistory,168.256521201,0.0399498432,"[14.5178590981, 14.6706786675, 14.823498237, 14.9763178064, 15.1291373759, 15.2819569453, 15.4347765148, 15.5875960842, 15.7404156537, 15.8932352231, 16.0460547926]" +11,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Pd,"[-5.1925294, -5.20110677, -5.20758713, -5.21210639, -5.21478623, -5.21574102, -5.21507722, -5.2128998, -5.20931001, -5.20439238, -5.19823339]",PBE,168.246007021529,0.00905599698654783,58.0,1.0,0.008821161128119117,0.008821161128119117,B,FindHistory,168.2608482729,0.040547923900000005,"[14.518070988, 14.6708927879, 14.8237145878, 14.9765363876, 15.1293581875, 15.2821799874, 15.4350017872, 15.5878235871, 15.740645387, 15.8934671869, 16.0462889867]" +12,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Pd,"[-5.1926051300000005, -5.20117414, -5.20764743, -5.212159, -5.21482805, -5.21577496, -5.21510682, -5.21292472, -5.2093255, -5.20440204, -5.19823669]",PBE,168.246007021529,0.00905599698654783,46.0,1.0,0.012839452271940771,0.012839452271940771,B,FindHistory,168.26760888729999,0.034285901,"[14.5184787705, 14.6713048628, 14.8241309551, 14.976957047500001, 15.1297831398, 15.2826092321, 15.4354353244, 15.5882614167, 15.7410875091, 15.8939136014, 16.0467396937]" +13,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Pd,"[-5.19017911, -5.19851694, -5.2047752, -5.20907188, -5.21153657, -5.21227956, -5.21138842, -5.20902899, -5.20529829, -5.20023617, -5.19397983]",PBE,168.246007021529,0.00905599698654783,14.0,1.0,0.31842655205508885,-0.31842655205508885,B,FindHistory,167.7102670624,0.1155769434,"[14.5369854535, 14.690006353, 14.8430272525, 14.996048152, 15.1490690515, 15.302089951, 15.4551108505, 15.60813175, 15.7611526495, 15.9141735491, 16.0671944486]" +14,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Pd,"[-5.19306864, -5.20156737, -5.20797319, -5.21240847, -5.21501237, -5.21589448, -5.21516855, -5.21293822, -5.20928057, -5.20429242, -5.19806069]",PBE,168.246007021529,0.00905599698654783,20.0,1.0,0.10748846809056382,0.10748846809056382,B,FindHistory,168.4268520771,0.0203852372,"[14.5215614617, 14.6744200034, 14.8272785451, 14.9801370868, 15.1329956285, 15.2858541702, 15.4387127119, 15.5915712536, 15.7444297953, 15.897288337, 16.0501468787]" +15,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Pd,"[-5.1926261, -5.2011108, -5.20749525, -5.21191446, -5.21452308, -5.21541953, -5.21468734, -5.21244557, -5.20879155, -5.20381366, -5.19759409]",PBE,168.246007021529,0.00905599698654783,16.0,1.0,0.08485105659044904,-0.08485105659044904,B,FindHistory,168.1032485069,0.056203105700000006,"[14.5276037982, 14.6805259434, 14.833448088699999, 14.9863702339, 15.1392923791, 15.2922145244, 15.4451366696, 15.5980588149, 15.7509809601, 15.9039031054, 16.0568252506]" +16,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Pd,"[-5.19378972, -5.20230537, -5.20870757, -5.21317144, -5.21579734, -5.21668524, -5.2159752, -5.21374269, -5.21010073, -5.20513311, -5.19892553]",PBE,168.246007021529,0.00905599698654783,18.0,1.0,0.050130462210730385,0.050130462210730385,B,FindHistory,168.3303495225,0.0526849722,"[14.5208843362, 14.6737357503, 14.8265871643, 14.9794385784, 15.1322899924, 15.2851414065, 15.4379928206, 15.5908442346, 15.7436956487, 15.8965470628, 16.0493984768]" +17,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Pd,"[-5.19257134, -5.20114126, -5.2076221, -5.21213744, -5.21480967, -5.21576036, -5.21509489, -5.21291548, -5.20932071, -5.20439983, -5.19823987]",PBE,168.246007021529,0.00905599698654783,52.0,1.0,0.006342516033449416,0.006342516033449416,B,FindHistory,168.2566780515,0.0403801971,"[14.5181872552, 14.6710102789, 14.8238333027, 14.9766563264, 15.1294793502, 15.2823023739, 15.4351253976, 15.5879484214, 15.7407714451, 15.8935944688, 16.0464174926]" +18,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Pd,"[-5.19280904, -5.20135508, -5.20781139, -5.21230184, -5.21495543, -5.21588963, -5.21520326, -5.21300991, -5.20939989, -5.20446695, -5.1982918399999996]",PBE,168.246007021529,0.00905599698654783,32.0,1.0,0.03158078760360023,-0.03158078760360023,B,FindHistory,168.1928736074,0.036230385,"[14.5196975967, 14.6725365188, 14.8253754408, 14.9782143629, 15.131053285, 15.2838922071, 15.4367311291, 15.5895700512, 15.7424089733, 15.8952478953, 16.0480868174]" +19,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Pd,"[-5.19257475, -5.20114429, -5.20761958, -5.21213322, -5.21480761, -5.21575927, -5.21509564, -5.21291848, -5.20932393, -5.20440573, -5.19824329]",PBE,168.246007021529,0.00905599698654783,44.0,1.0,0.01974744965255456,-0.01974744965255456,B,FindHistory,168.212782726,0.033786106600000004,"[14.518528611, 14.6713552279, 14.8241818449, 14.9770084618, 15.1298350788, 15.2826616958, 15.4354883127, 15.5883149297, 15.7411415466, 15.8939681636, 16.0467947806]" +20,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Pd,"[-5.19254873, -5.20111863, -5.20759269, -5.21210578, -5.21477753, -5.2157289, -5.21506543, -5.21288526, -5.20928922, -5.20437154, -5.19820992]",PBE,168.246007021529,0.00905599698654783,56.0,1.0,0.018339801030204207,-0.018339801030204207,B,FindHistory,168.2151510386,0.0366419353,"[14.5180477164, 14.6708692714, 14.8236908263, 14.9765123812, 15.1293339361, 15.282155491, 15.4349770459, 15.5877986008, 15.7406201557, 15.8934417106, 16.0462632655]" +21,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Pd,"[-5.19264158, -5.2012087, -5.20767883, -5.21218509, -5.21485652, -5.21580173, -5.21512913, -5.21294614, -5.2093436, -5.20441831, -5.19824849]",PBE,168.246007021529,0.00905599698654783,38.0,1.0,0.024860600920915608,0.024860600920915608,B,FindHistory,168.2878339899,0.035230110499999995,"[14.518834558, 14.6716643954, 14.8244942329, 14.9773240703, 15.1301539078, 15.2829837452, 15.4358135827, 15.5886434201, 15.7414732576, 15.894303095, 16.0471329325]" +22,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Pd,"[-5.19198692, -5.20050723, -5.20693791, -5.21141623, -5.21405465, -5.21497229, -5.21427707, -5.21207451, -5.20845337, -5.20352, -5.19734447]",PBE,168.246007021529,0.00905599698654783,22.0,1.0,0.17704178393422312,-0.17704178393422312,B,FindHistory,167.9481412893,0.0499405625,"[14.524761772, 14.6776540012, 14.8305462303, 14.9834384595, 15.1363306887, 15.2892229179, 15.442115147, 15.5950073762, 15.7478996054, 15.9007918346, 16.0536840638]" +23,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Pd,"[-5.19254003, -5.20111571, -5.2075962, -5.21211293, -5.21479191, -5.21574645, -5.21508426, -5.2129085, -5.20931504, -5.20439893, -5.19824003]",PBE,168.246007021529,0.00905599698654783,66.0,1.0,0.0009718843852209623,0.0009718843852209623,B,FindHistory,168.2476421782,0.0384332126,"[14.5178913645, 14.6707112736, 14.8235311827, 14.9763510918, 15.1291710009, 15.28199091, 15.4348108191, 15.5876307282, 15.7404506373, 15.8932705464, 16.0460904555]" +24,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Pd,"[-5.1865640299999995, -5.19486343, -5.2011147, -5.20537599, -5.20782793, -5.2085522300000004, -5.20766843, -5.20525869, -5.20146398, -5.19636627, -5.19000779]",PBE,168.246007021529,0.00905599698654783,8.0,1.0,0.06607540044427848,0.06607540044427848,B,FindHistory,168.3571762444,0.0958149759,"[14.5531846974, 14.7063761152, 14.8595675331, 15.012758951, 15.1659503688, 15.3191417867, 15.4723332046, 15.6255246224, 15.7787160403, 15.9319074582, 16.085098876]" +25,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Pd,"[-5.19293824, -5.20147349, -5.20790893, -5.21238605, -5.21502391, -5.21593966, -5.21524046, -5.21302925, -5.2094028, -5.20444967, -5.19825731]",PBE,168.246007021529,0.00905599698654783,26.0,1.0,0.04013027516447554,0.04013027516447554,B,FindHistory,168.3135246071,0.031108987900000006,"[14.5207590183, 14.6736091132, 14.8264592081, 14.9793093031, 15.132159398, 15.2850094929, 15.4378595879, 15.5907096828, 15.7435597777, 15.8964098726, 16.0492599676]" +26,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Pd,"[-5.19254212, -5.20111493, -5.20759433, -5.21211185, -5.21478615, -5.21573783, -5.21507631, -5.21289816, -5.20930519, -5.20438524, -5.19822371]",PBE,168.246007021529,0.00905599698654783,62.0,1.0,0.009005848899016435,0.009005848899016435,B,FindHistory,168.2611590027,0.034630376500000004,"[14.5179037897, 14.6707238296, 14.8235438695, 14.9763639094, 15.1291839493, 15.2820039892, 15.4348240291, 15.587644069, 15.7404641089, 15.8932841488, 16.0461041887]" +27,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Pd,"[-5.19250213, -5.20102509, -5.20745834, -5.21192735, -5.21455558, -5.2154646, -5.21475452, -5.21253137, -5.20889823, -5.20394504, -5.19775342]",PBE,168.246007021529,0.00905599698654783,28.0,1.0,0.025555519641836125,0.025555519641836125,B,FindHistory,168.2890031629,0.050644971100000005,"[14.5208828907, 14.6737342896, 14.8265856884, 14.9794370873, 15.1322884861, 15.285139885, 15.4379912838, 15.5908426827, 15.7436940815, 15.8965454804, 16.0493968792]" +28,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Pd,"[-5.36742147, -5.37337998, -5.37730252, -5.37941899, -5.37990216, -5.3786638700000005, -5.37586964, -5.37171623, -5.36617273, -5.35942294, -5.3515168]",PBE,168.246007021529,0.00905599698654783,4.0,1.0,1.2200511956330233,1.2200511956330233,B,FindHistory,170.2986944418,0.4024235644,"[14.5457231788, 14.698836054400001, 14.85194893, 15.0050618055, 15.1581746811, 15.3112875567, 15.4644004322, 15.6175133078, 15.7706261834, 15.9237390589, 16.0768519345]" +29,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Pd,"[-5.19266205, -5.20122369, -5.2076966, -5.21220407, -5.21486884, -5.21581227, -5.21513743, -5.21295349, -5.20935018, -5.20442112, -5.1982549]",PBE,168.246007021529,0.00905599698654783,30.0,1.0,0.01945996148770837,0.01945996148770837,B,FindHistory,168.2787476297,0.0408259433,"[14.519209977300001, 14.6720437665, 14.8248775558, 14.977711345, 15.1305451342, 15.2833789235, 15.4362127127, 15.5890465019, 15.7418802912, 15.8947140804, 16.0475478696]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Pd,"[-5.19252083, -5.20108921, -5.20756833, -5.21208245, -5.21475588, -5.2157089, -5.21504462, -5.21287009, -5.20927916, -5.20436238, -5.19820317]",PBE,168.246007021529,0.00905599698654783,50.0,1.0,0.0415524341210956,-0.0415524341210956,B,FindHistory,168.17609671030002,0.033414508600000004,"[14.5182259986, 14.6710494301, 14.8238728617, 14.9766962933, 15.1295197248, 15.2823431564, 15.4351665879, 15.5879900195, 15.7408134511, 15.8936368826, 16.0464603142]" +0,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Pd,"[-5.19246719, -5.20101763, -5.20749287, -5.21200214, -5.21467267, -5.21562077, -5.21495093, -5.21277054, -5.20917536, -5.20425092, -5.19809193]",PBE,-5.21573513791872,5.20827743525111e-06,36.0,1.0,-0.0022290495135319274,-0.0022290495135319274,E0,FindHistory,-5.215618876600001,3.4043e-06,"[14.5193056982, 14.672140495, 14.8249752918, 14.9778100886, 15.1306448855, 15.2834796823, 15.4363144791, 15.5891492759, 15.7419840727, 15.8948188696, 16.0476536664]" +1,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Pd,"[-5.19262168, -5.20116693, -5.20761976, -5.2121068600000005, -5.21475574, -5.21567968, -5.21499396, -5.21279652, -5.20918099, -5.20424148, -5.19806272]",PBE,-5.21573513791872,5.20827743525111e-06,34.0,1.0,-0.001036469784041698,-0.001036469784041698,E0,FindHistory,-5.215681078399999,1.8133e-06,"[14.5198162607, 14.6726564318, 14.825496603, 14.9783367742, 15.1311769453, 15.2840171165, 15.4368572877, 15.5896974588, 15.74253763, 15.8953778011, 16.0482179723]" +2,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Pd,"[-5.19265213, -5.20120689, -5.20767277, -5.212175, -5.21483869, -5.21577467, -5.21509394, -5.21290423, -5.20929554, -5.20436144, -5.19818804]",PBE,-5.21573513791872,5.20827743525111e-06,40.0,1.0,-0.0007287463852276676,0.0007287463852276676,E0,FindHistory,-5.2157731474,2.762e-06,"[14.5188492165, 14.6716792082, 14.8245092, 14.9773391917, 15.1301691835, 15.2829991752, 15.435829167, 15.5886591588, 15.7414891505, 15.8943191423, 16.047149134]" +3,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Pd,"[-5.19255129, -5.20111795, -5.20759213, -5.21210265, -5.21477655, -5.21572453, -5.21505699, -5.21287592, -5.20927815, -5.2043546, -5.19818898]",PBE,-5.21573513791872,5.20827743525111e-06,48.0,1.0,-0.00020652925109964742,-0.00020652925109964742,E0,FindHistory,-5.2157243659,2.3145e-06,"[14.5183487081, 14.6711734313, 14.8239981546, 14.9768228778, 15.1296476011, 15.2824723243, 15.4352970475, 15.5881217708, 15.740946494, 15.8937712173, 16.0465959405]" +4,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Pd,"[-5.19255474, -5.20112521, -5.20760677, -5.21212138, -5.21479664, -5.2157488, -5.21508329, -5.21290559, -5.20931157, -5.20439001, -5.19823317]",PBE,-5.21573513791872,5.20827743525111e-06,60.0,1.0,-0.0002497017378490243,0.0002497017378490243,E0,FindHistory,-5.2157481617000006,2.6556e-06,"[14.5180068612, 14.6708279861, 14.8236491109, 14.9764702358, 15.1292913606, 15.2821124855, 15.4349336103, 15.5877547352, 15.74057586, 15.8933969849, 16.0462181098]" +5,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Pd,"[-5.19252238, -5.20109398, -5.20757463, -5.21209138, -5.21477184, -5.21572496, -5.21506301, -5.21288845, -5.20929509, -5.20438147, -5.19822405]",PBE,-5.21573513791872,5.20827743525111e-06,64.0,1.0,-0.0001986109042393884,-0.0001986109042393884,E0,FindHistory,-5.215724778899999,2.6917e-06,"[14.5179104401, 14.67073055, 14.8235506599, 14.9763707698, 15.1291908797, 15.2820109896, 15.4348310995, 15.5876512094, 15.7404713193, 15.8932914292, 16.0461115391]" +6,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Pd,"[-5.19278082, -5.20131249, -5.20775088, -5.21223356, -5.21487745, -5.21580016, -5.21510996, -5.21290267, -5.20928522, -5.20433968, -5.1981575]",PBE,-5.21573513791872,5.20827743525111e-06,24.0,1.0,-0.0012056034215284172,0.0012056034215284172,E0,FindHistory,-5.215798019,2.5927e-06,"[14.5217048821, 14.6745649334, 14.8274249848, 14.9802850362, 15.1331450876, 15.286005139, 15.4388651904, 15.5917252418, 15.7445852932, 15.8974453446, 16.050305396]" +7,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Pd,"[-5.19257153, -5.20113627, -5.20761412, -5.21212533, -5.21479566, -5.2157442, -5.21507752, -5.2129009, -5.20930862, -5.20438479, -5.1982264]",PBE,-5.21573513791872,5.20827743525111e-06,54.0,1.0,-0.00019668715932065738,0.00019668715932065738,E0,FindHistory,-5.2157453966,2.2006e-06,"[14.5181155635, 14.6709378326, 14.8237601017, 14.9765823708, 15.1294046399, 15.2822269089, 15.435049178, 15.5878714471, 15.7406937162, 15.8935159853, 16.0463382544]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Pd,"[-5.19258355, -5.20113967, -5.20760224, -5.21210146, -5.21476329, -5.21569896, -5.2150198, -5.21282557, -5.20922229, -5.2042942, -5.1981265]",PBE,-5.21573513791872,5.20827743525111e-06,42.0,1.0,-0.0007357528268676056,-0.0007357528268676056,E0,FindHistory,-5.215696763,2.7407000000000003e-06,"[14.5187842474, 14.6716135553, 14.8244428632, 14.977272171, 15.1301014789, 15.2829307868, 15.4357600947, 15.5885894025, 15.7414187104, 15.8942480183, 16.0470773261]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Pd,"[-5.19252699, -5.20110197, -5.20758067, -5.21209909, -5.21477802, -5.21572973, -5.21506917, -5.21289228, -5.20929973, -5.20438473, -5.19822527]",PBE,-5.21573513791872,5.20827743525111e-06,70.0,1.0,-8.307781366129102e-05,-8.307781366129102e-05,E0,FindHistory,-5.215730804800001,2.4018e-06,"[14.5178160756, 14.6706351922, 14.8234543087, 14.9762734253, 15.1290925419, 15.2819116585, 15.4347307751, 15.5875498917, 15.7403690082, 15.8931881248, 16.0460072414]" +10,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Pd,"[-5.19254579, -5.2011172, -5.20759872, -5.21211358, -5.2147931, -5.21574854, -5.21508706, -5.21291234, -5.20931706, -5.20439971, -5.19823927]",PBE,-5.21573513791872,5.20827743525111e-06,68.0,1.0,-0.00025516788963912896,0.00025516788963912896,E0,FindHistory,-5.2157484468,2.4549e-06,"[14.5178590981, 14.6706786675, 14.823498237, 14.9763178064, 15.1291373759, 15.2819569453, 15.4347765148, 15.5875960842, 15.7404156537, 15.8932352231, 16.0460547926]" +11,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Pd,"[-5.1925294, -5.20110677, -5.20758713, -5.21210639, -5.21478623, -5.21574102, -5.21507722, -5.2128998, -5.20931001, -5.20439238, -5.19823339]",PBE,-5.21573513791872,5.20827743525111e-06,58.0,1.0,-8.939451787499735e-05,8.939451787499735e-05,E0,FindHistory,-5.2157398005,2.4916e-06,"[14.518070988, 14.6708927879, 14.8237145878, 14.9765363876, 15.1293581875, 15.2821799874, 15.4350017872, 15.5878235871, 15.740645387, 15.8934671869, 16.0462889867]" +12,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Pd,"[-5.1865640299999995, -5.19486343, -5.2011147, -5.20537599, -5.20782793, -5.2085522300000004, -5.20766843, -5.20525869, -5.20146398, -5.19636627, -5.19000779]",PBE,-5.21573513791872,5.20827743525111e-06,8.0,1.0,-0.1378683029059819,-0.1378683029059819,E0,FindHistory,-5.2085442924,6.0586e-06,"[14.5531846974, 14.7063761152, 14.8595675331, 15.012758951, 15.1659503688, 15.3191417867, 15.4723332046, 15.6255246224, 15.7787160403, 15.9319074582, 16.085098876]" +13,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Pd,"[-5.1926051300000005, -5.20117414, -5.20764743, -5.212159, -5.21482805, -5.21577496, -5.21510682, -5.21292472, -5.2093255, -5.20440204, -5.19823669]",PBE,-5.21573513791872,5.20827743525111e-06,46.0,1.0,-0.0007738867142136282,0.0007738867142136282,E0,FindHistory,-5.2157755018000005,2.1092e-06,"[14.5184787705, 14.6713048628, 14.8241309551, 14.976957047500001, 15.1297831398, 15.2826092321, 15.4354353244, 15.5882614167, 15.7410875091, 15.8939136014, 16.0467396937]" +14,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Pd,"[-5.19017911, -5.19851694, -5.2047752, -5.20907188, -5.21153657, -5.21227956, -5.21138842, -5.20902899, -5.20529829, -5.20023617, -5.19397983]",PBE,-5.21573513791872,5.20827743525111e-06,14.0,1.0,-0.06662916591478818,-0.06662916591478818,E0,FindHistory,-5.2122599371,7.2825e-06,"[14.5369854535, 14.690006353, 14.8430272525, 14.996048152, 15.1490690515, 15.302089951, 15.4551108505, 15.60813175, 15.7611526495, 15.9141735491, 16.0671944486]" +15,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Pd,"[-5.19306864, -5.20156737, -5.20797319, -5.21240847, -5.21501237, -5.21589448, -5.21516855, -5.21293822, -5.20928057, -5.20429242, -5.19806069]",PBE,-5.21573513791872,5.20827743525111e-06,20.0,1.0,-0.0031286075110275604,0.0031286075110275604,E0,FindHistory,-5.2158983178,1.2654e-06,"[14.5215614617, 14.6744200034, 14.8272785451, 14.9801370868, 15.1329956285, 15.2858541702, 15.4387127119, 15.5915712536, 15.7444297953, 15.897288337, 16.0501468787]" +16,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Pd,"[-5.1926261, -5.2011108, -5.20749525, -5.21191446, -5.21452308, -5.21541953, -5.21468734, -5.21244557, -5.20879155, -5.20381366, -5.19759409]",PBE,-5.21573513791872,5.20827743525111e-06,16.0,1.0,-0.006256832643718841,-0.006256832643718841,E0,FindHistory,-5.2154087981,3.4908e-06,"[14.5276037982, 14.6805259434, 14.833448088699999, 14.9863702339, 15.1392923791, 15.2922145244, 15.4451366696, 15.5980588149, 15.7509809601, 15.9039031054, 16.0568252506]" +17,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Pd,"[-5.19378972, -5.20230537, -5.20870757, -5.21317144, -5.21579734, -5.21668524, -5.2159752, -5.21374269, -5.21010073, -5.20513311, -5.19892553]",PBE,-5.21573513791872,5.20827743525111e-06,18.0,1.0,-0.01822850194919246,0.01822850194919246,E0,FindHistory,-5.2166858883,3.2644e-06,"[14.5208843362, 14.6737357503, 14.8265871643, 14.9794385784, 15.1322899924, 15.2851414065, 15.4379928206, 15.5908442346, 15.7436956487, 15.8965470628, 16.0493984768]" +18,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Pd,"[-5.19257134, -5.20114126, -5.2076221, -5.21213744, -5.21480967, -5.21576036, -5.21509489, -5.21291548, -5.20932071, -5.20439983, -5.19823987]",PBE,-5.21573513791872,5.20827743525111e-06,52.0,1.0,-0.0004870910927931678,0.0004870910927931678,E0,FindHistory,-5.2157605433,2.4827e-06,"[14.5181872552, 14.6710102789, 14.8238333027, 14.9766563264, 15.1294793502, 15.2823023739, 15.4351253976, 15.5879484214, 15.7407714451, 15.8935944688, 16.0464174926]" +19,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Pd,"[-5.19280904, -5.20135508, -5.20781139, -5.21230184, -5.21495543, -5.21588963, -5.21520326, -5.21300991, -5.20939989, -5.20446695, -5.1982918399999996]",PBE,-5.21573513791872,5.20827743525111e-06,32.0,1.0,-0.002904353408961986,0.002904353408961986,E0,FindHistory,-5.2158866213,2.2338e-06,"[14.5196975967, 14.6725365188, 14.8253754408, 14.9782143629, 15.131053285, 15.2838922071, 15.4367311291, 15.5895700512, 15.7424089733, 15.8952478953, 16.0480868174]" +20,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Pd,"[-5.19264158, -5.2012087, -5.20767883, -5.21218509, -5.21485652, -5.21580173, -5.21512913, -5.21294614, -5.2093436, -5.20441831, -5.19824849]",PBE,-5.21573513791872,5.20827743525111e-06,38.0,1.0,-0.0012564246371355723,0.0012564246371355723,E0,FindHistory,-5.2158006697,2.1681e-06,"[14.518834558, 14.6716643954, 14.8244942329, 14.9773240703, 15.1301539078, 15.2829837452, 15.4358135827, 15.5886434201, 15.7414732576, 15.894303095, 16.0471329325]" +21,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Pd,"[-5.19257475, -5.20114429, -5.20761958, -5.21213322, -5.21480761, -5.21575927, -5.21509564, -5.21291848, -5.20932393, -5.20440573, -5.19824329]",PBE,-5.21573513791872,5.20827743525111e-06,44.0,1.0,-0.00047343434104882504,0.00047343434104882504,E0,FindHistory,-5.215759831000001,2.0771e-06,"[14.518528611, 14.6713552279, 14.8241818449, 14.9770084618, 15.1298350788, 15.2826616958, 15.4354883127, 15.5883149297, 15.7411415466, 15.8939681636, 16.0467947806]" +22,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Pd,"[-5.19254873, -5.20111863, -5.20759269, -5.21210578, -5.21477753, -5.2157289, -5.21506543, -5.21288526, -5.20928922, -5.20437154, -5.19820992]",PBE,-5.21573513791872,5.20827743525111e-06,56.0,1.0,-0.00011378872895585334,-0.00011378872895585334,E0,FindHistory,-5.215729203,2.2530000000000003e-06,"[14.5180477164, 14.6708692714, 14.8236908263, 14.9765123812, 15.1293339361, 15.282155491, 15.4349770459, 15.5877986008, 15.7406201557, 15.8934417106, 16.0462632655]" +23,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Pd,"[-5.19198692, -5.20050723, -5.20693791, -5.21141623, -5.21405465, -5.21497229, -5.21427707, -5.21207451, -5.20845337, -5.20352, -5.19734447]",PBE,-5.21573513791872,5.20827743525111e-06,22.0,1.0,-0.01468674114892674,-0.01468674114892674,E0,FindHistory,-5.2149691164,3.0855e-06,"[14.524761772, 14.6776540012, 14.8305462303, 14.9834384595, 15.1363306887, 15.2892229179, 15.442115147, 15.5950073762, 15.7478996054, 15.9007918346, 16.0536840638]" +24,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Pd,"[-5.19254003, -5.20111571, -5.2075962, -5.21211293, -5.21479191, -5.21574645, -5.21508426, -5.2129085, -5.20931504, -5.20439893, -5.19824003]",PBE,-5.21573513791872,5.20827743525111e-06,66.0,1.0,-0.00021256603311765624,0.00021256603311765624,E0,FindHistory,-5.2157462248,2.3617e-06,"[14.5178913645, 14.6707112736, 14.8235311827, 14.9763510918, 15.1291710009, 15.28199091, 15.4348108191, 15.5876307282, 15.7404506373, 15.8932705464, 16.0460904555]" +25,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Pd,"[-5.19293824, -5.20147349, -5.20790893, -5.21238605, -5.21502391, -5.21593966, -5.21524046, -5.21302925, -5.2094028, -5.20444967, -5.19825731]",PBE,-5.21573513791872,5.20827743525111e-06,26.0,1.0,-0.0038869627371794445,0.0038869627371794445,E0,FindHistory,-5.2159378716,1.9228e-06,"[14.5207590183, 14.6736091132, 14.8264592081, 14.9793093031, 15.132159398, 15.2850094929, 15.4378595879, 15.5907096828, 15.7435597777, 15.8964098726, 16.0492599676]" +26,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Pd,"[-5.19254212, -5.20111493, -5.20759433, -5.21211185, -5.21478615, -5.21573783, -5.21507631, -5.21289816, -5.20930519, -5.20438524, -5.19822371]",PBE,-5.21573513791872,5.20827743525111e-06,62.0,1.0,-8.368295484692851e-05,8.368295484692851e-05,E0,FindHistory,-5.2157395026,2.1286000000000003e-06,"[14.5179037897, 14.6707238296, 14.8235438695, 14.9763639094, 15.1291839493, 15.2820039892, 15.4348240291, 15.587644069, 15.7404641089, 15.8932841488, 16.0461041887]" +27,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Pd,"[-5.19250213, -5.20102509, -5.20745834, -5.21192735, -5.21455558, -5.2154646, -5.21475452, -5.21253137, -5.20889823, -5.20394504, -5.19775342]",PBE,-5.21573513791872,5.20827743525111e-06,28.0,1.0,-0.005299510259065292,-0.005299510259065292,E0,FindHistory,-5.2154587295,3.1337e-06,"[14.5208828907, 14.6737342896, 14.8265856884, 14.9794370873, 15.1322884861, 15.285139885, 15.4379912838, 15.5908426827, 15.7436940815, 15.8965454804, 16.0493968792]" +28,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Pd,"[-5.36742147, -5.37337998, -5.37730252, -5.37941899, -5.37990216, -5.3786638700000005, -5.37586964, -5.37171623, -5.36617273, -5.35942294, -5.3515168]",PBE,-5.21573513791872,5.20827743525111e-06,4.0,1.0,-3.1477264707654116,3.1477264707654116,E0,FindHistory,-5.3799122135,1.7384200000000002e-05,"[14.5457231788, 14.698836054400001, 14.85194893, 15.0050618055, 15.1581746811, 15.3112875567, 15.4644004322, 15.6175133078, 15.7706261834, 15.9237390589, 16.0768519345]" +29,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Pd,"[-5.19266205, -5.20122369, -5.2076966, -5.21220407, -5.21486884, -5.21581227, -5.21513743, -5.21295349, -5.20935018, -5.20442112, -5.1982549]",PBE,-5.21573513791872,5.20827743525111e-06,30.0,1.0,-0.0014634807800277623,0.0014634807800277623,E0,FindHistory,-5.2158114692,2.5132e-06,"[14.519209977300001, 14.6720437665, 14.8248775558, 14.977711345, 15.1305451342, 15.2833789235, 15.4362127127, 15.5890465019, 15.7418802912, 15.8947140804, 16.0475478696]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Pd,"[-5.19252083, -5.20108921, -5.20756833, -5.21208245, -5.21475588, -5.2157089, -5.21504462, -5.21287009, -5.20927916, -5.20436238, -5.19820317]",PBE,-5.21573513791872,5.20827743525111e-06,50.0,1.0,-0.0004956677828907732,-0.0004956677828907732,E0,FindHistory,-5.2157092852,2.0538e-06,"[14.5182259986, 14.6710494301, 14.8238728617, 14.9766962933, 15.1295197248, 15.2823431564, 15.4351665879, 15.5879900195, 15.7408134511, 15.8936368826, 16.0464603142]" +0,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Pd,"[-5.19246719, -5.20101763, -5.20749287, -5.21200214, -5.21467267, -5.21562077, -5.21495093, -5.21277054, -5.20917536, -5.20425092, -5.19809193]",PBE,5.507179178813192,0.0040119716620805705,36.0,1.0,0.2645826518455884,-0.2645826518455884,dB,FindHistory,5.4926081381,0.0348255696,"[14.5193056982, 14.672140495, 14.8249752918, 14.9778100886, 15.1306448855, 15.2834796823, 15.4363144791, 15.5891492759, 15.7419840727, 15.8948188696, 16.0476536664]" +1,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Pd,"[-5.19262168, -5.20116693, -5.20761976, -5.2121068600000005, -5.21475574, -5.21567968, -5.21499396, -5.21279652, -5.20918099, -5.20424148, -5.19806272]",PBE,5.507179178813192,0.0040119716620805705,34.0,1.0,0.44204817741292723,0.44204817741292723,dB,FindHistory,5.531523564,0.0185622251,"[14.5198162607, 14.6726564318, 14.825496603, 14.9783367742, 15.1311769453, 15.2840171165, 15.4368572877, 15.5896974588, 15.74253763, 15.8953778011, 16.0482179723]" +2,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Pd,"[-5.19265213, -5.20120689, -5.20767277, -5.212175, -5.21483869, -5.21577467, -5.21509394, -5.21290423, -5.20929554, -5.20436144, -5.19818804]",PBE,5.507179178813192,0.0040119716620805705,40.0,1.0,0.13293811312646966,0.13293811312646966,dB,FindHistory,5.5145003189,0.0282455646,"[14.5188492165, 14.6716792082, 14.8245092, 14.9773391917, 15.1301691835, 15.2829991752, 15.435829167, 15.5886591588, 15.7414891505, 15.8943191423, 16.047149134]" +3,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Pd,"[-5.19255129, -5.20111795, -5.20759213, -5.21210265, -5.21477655, -5.21572453, -5.21505699, -5.21287592, -5.20927815, -5.2043546, -5.19818898]",PBE,5.507179178813192,0.0040119716620805705,48.0,1.0,0.10080143450839275,-0.10080143450839275,dB,FindHistory,5.5016278632,0.0236618698,"[14.5183487081, 14.6711734313, 14.8239981546, 14.9768228778, 15.1296476011, 15.2824723243, 15.4352970475, 15.5881217708, 15.740946494, 15.8937712173, 16.0465959405]" +4,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Pd,"[-5.19255474, -5.20112521, -5.20760677, -5.21212138, -5.21479664, -5.2157488, -5.21508329, -5.21290559, -5.20931157, -5.20439001, -5.19823317]",PBE,5.507179178813192,0.0040119716620805705,60.0,1.0,0.2729694930690048,0.2729694930690048,dB,FindHistory,5.5222120979,0.027145192400000004,"[14.5180068612, 14.6708279861, 14.8236491109, 14.9764702358, 15.1292913606, 15.2821124855, 15.4349336103, 15.5877547352, 15.74057586, 15.8933969849, 16.0462181098]" +5,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Pd,"[-5.19252238, -5.20109398, -5.20757463, -5.21209138, -5.21477184, -5.21572496, -5.21506301, -5.21288845, -5.20929509, -5.20438147, -5.19822405]",PBE,5.507179178813192,0.0040119716620805705,64.0,1.0,0.10558877599587467,0.10558877599587467,dB,FindHistory,5.5129941419,0.0275168842,"[14.5179104401, 14.67073055, 14.8235506599, 14.9763707698, 15.1291908797, 15.2820109896, 15.4348310995, 15.5876512094, 15.7404713193, 15.8932914292, 16.0461115391]" +6,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Pd,"[-5.19278082, -5.20131249, -5.20775088, -5.21223356, -5.21487745, -5.21580016, -5.21510996, -5.21290267, -5.20928522, -5.20433968, -5.1981575]",PBE,5.507179178813192,0.0040119716620805705,24.0,1.0,0.19781120169653266,-0.19781120169653266,dB,FindHistory,5.4962853615,0.026555119500000002,"[14.5217048821, 14.6745649334, 14.8274249848, 14.9802850362, 15.1331450876, 15.286005139, 15.4388651904, 15.5917252418, 15.7445852932, 15.8974453446, 16.050305396]" +7,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Pd,"[-5.19257153, -5.20113627, -5.20761412, -5.21212533, -5.21479566, -5.2157442, -5.21507752, -5.2129009, -5.20930862, -5.20438479, -5.1982264]",PBE,5.507179178813192,0.0040119716620805705,54.0,1.0,0.1960479300972319,0.1960479300972319,dB,FindHistory,5.517975889600001,0.022505326800000003,"[14.5181155635, 14.6709378326, 14.8237601017, 14.9765823708, 15.1294046399, 15.2822269089, 15.435049178, 15.5878714471, 15.7406937162, 15.8935159853, 16.0463382544]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Pd,"[-5.19258355, -5.20113967, -5.20760224, -5.21210146, -5.21476329, -5.21569896, -5.2150198, -5.21282557, -5.20922229, -5.2042942, -5.1981265]",PBE,5.507179178813192,0.0040119716620805705,42.0,1.0,0.6860038535181612,0.6860038535181612,dB,FindHistory,5.5449586402,0.0280437033,"[14.5187842474, 14.6716135553, 14.8244428632, 14.977272171, 15.1301014789, 15.2829307868, 15.4357600947, 15.5885894025, 15.7414187104, 15.8942480183, 16.0470773261]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Pd,"[-5.19252699, -5.20110197, -5.20758067, -5.21209909, -5.21477802, -5.21572973, -5.21506917, -5.21289228, -5.20929973, -5.20438473, -5.19822527]",PBE,5.507179178813192,0.0040119716620805705,70.0,1.0,0.16595848237459257,0.16595848237459257,dB,FindHistory,5.5163188098,0.0245503353,"[14.5178160756, 14.6706351922, 14.8234543087, 14.9762734253, 15.1290925419, 15.2819116585, 15.4347307751, 15.5875498917, 15.7403690082, 15.8931881248, 16.0460072414]" +10,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Pd,"[-5.19254579, -5.2011172, -5.20759872, -5.21211358, -5.2147931, -5.21574854, -5.21508706, -5.21291234, -5.20931706, -5.20439971, -5.19823927]",PBE,5.507179178813192,0.0040119716620805705,68.0,1.0,0.2283333555147122,-0.2283333555147122,dB,FindHistory,5.4946044518,0.0250924943,"[14.5178590981, 14.6706786675, 14.823498237, 14.9763178064, 15.1291373759, 15.2819569453, 15.4347765148, 15.5875960842, 15.7404156537, 15.8932352231, 16.0460547926]" +11,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Pd,"[-5.1925294, -5.20110677, -5.20758713, -5.21210639, -5.21478623, -5.21574102, -5.21507722, -5.2128998, -5.20931001, -5.20439238, -5.19823339]",PBE,5.507179178813192,0.0040119716620805705,58.0,1.0,0.2276884459297903,0.2276884459297903,dB,FindHistory,5.5197183895,0.025464928300000002,"[14.518070988, 14.6708927879, 14.8237145878, 14.9765363876, 15.1293581875, 15.2821799874, 15.4350017872, 15.5878235871, 15.740645387, 15.8934671869, 16.0462889867]" +12,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Pd,"[-5.1926051300000005, -5.20117414, -5.20764743, -5.212159, -5.21482805, -5.21577496, -5.21510682, -5.21292472, -5.2093255, -5.20440204, -5.19823669]",PBE,5.507179178813192,0.0040119716620805705,46.0,1.0,0.2208096412332233,0.2208096412332233,dB,FindHistory,5.5193395614,0.0215641637,"[14.5184787705, 14.6713048628, 14.8241309551, 14.976957047500001, 15.1297831398, 15.2826092321, 15.4354353244, 15.5882614167, 15.7410875091, 15.8939136014, 16.0467396937]" +13,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Pd,"[-5.19017911, -5.19851694, -5.2047752, -5.20907188, -5.21153657, -5.21227956, -5.21138842, -5.20902899, -5.20529829, -5.20023617, -5.19397983]",PBE,5.507179178813192,0.0040119716620805705,14.0,1.0,6.426992748819263,6.426992748819263,dB,FindHistory,5.8611251853,0.0753979391,"[14.5369854535, 14.690006353, 14.8430272525, 14.996048152, 15.1490690515, 15.302089951, 15.4551108505, 15.60813175, 15.7611526495, 15.9141735491, 16.0671944486]" +14,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Pd,"[-5.19306864, -5.20156737, -5.20797319, -5.21240847, -5.21501237, -5.21589448, -5.21516855, -5.21293822, -5.20928057, -5.20429242, -5.19806069]",PBE,5.507179178813192,0.0040119716620805705,20.0,1.0,0.6750865371553632,-0.6750865371553632,dB,FindHistory,5.4700009536000005,0.0129726686,"[14.5215614617, 14.6744200034, 14.8272785451, 14.9801370868, 15.1329956285, 15.2858541702, 15.4387127119, 15.5915712536, 15.7444297953, 15.897288337, 16.0501468787]" +15,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Pd,"[-5.1926261, -5.2011108, -5.20749525, -5.21191446, -5.21452308, -5.21541953, -5.21468734, -5.21244557, -5.20879155, -5.20381366, -5.19759409]",PBE,5.507179178813192,0.0040119716620805705,16.0,1.0,1.2124188780721805,-1.2124188780721805,dB,FindHistory,5.4404090988,0.0358426488,"[14.5276037982, 14.6805259434, 14.833448088699999, 14.9863702339, 15.1392923791, 15.2922145244, 15.4451366696, 15.5980588149, 15.7509809601, 15.9039031054, 16.0568252506]" +16,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Pd,"[-5.19378972, -5.20230537, -5.20870757, -5.21317144, -5.21579734, -5.21668524, -5.2159752, -5.21374269, -5.21010073, -5.20513311, -5.19892553]",PBE,5.507179178813192,0.0040119716620805705,18.0,1.0,0.06799697797372367,-0.06799697797372367,dB,FindHistory,5.5034344634000005,0.0334579859,"[14.5208843362, 14.6737357503, 14.8265871643, 14.9794385784, 15.1322899924, 15.2851414065, 15.4379928206, 15.5908442346, 15.7436956487, 15.8965470628, 16.0493984768]" +17,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Pd,"[-5.19257134, -5.20114126, -5.2076221, -5.21213744, -5.21480967, -5.21576036, -5.21509489, -5.21291548, -5.20932071, -5.20439983, -5.19823987]",PBE,5.507179178813192,0.0040119716620805705,52.0,1.0,0.32914286421882977,0.32914286421882977,dB,FindHistory,5.5253056661,0.0253803625,"[14.5181872552, 14.6710102789, 14.8238333027, 14.9766563264, 15.1294793502, 15.2823023739, 15.4351253976, 15.5879484214, 15.7407714451, 15.8935944688, 16.0464174926]" +18,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Pd,"[-5.19280904, -5.20135508, -5.20781139, -5.21230184, -5.21495543, -5.21588963, -5.21520326, -5.21300991, -5.20939989, -5.20446695, -5.1982918399999996]",PBE,5.507179178813192,0.0040119716620805705,32.0,1.0,0.2709209470468634,0.2709209470468634,dB,FindHistory,5.5220992808,0.0228664819,"[14.5196975967, 14.6725365188, 14.8253754408, 14.9782143629, 15.131053285, 15.2838922071, 15.4367311291, 15.5895700512, 15.7424089733, 15.8952478953, 16.0480868174]" +19,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Pd,"[-5.19257475, -5.20114429, -5.20761958, -5.21213322, -5.21480761, -5.21575927, -5.21509564, -5.21291848, -5.20932393, -5.20440573, -5.19824329]",PBE,5.507179178813192,0.0040119716620805705,44.0,1.0,0.07667073244023681,-0.07667073244023681,dB,FindHistory,5.502956784199999,0.0212366743,"[14.518528611, 14.6713552279, 14.8241818449, 14.9770084618, 15.1298350788, 15.2826616958, 15.4354883127, 15.5883149297, 15.7411415466, 15.8939681636, 16.0467947806]" +20,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Pd,"[-5.19254873, -5.20111863, -5.20759269, -5.21210578, -5.21477753, -5.2157289, -5.21506543, -5.21288526, -5.20928922, -5.20437154, -5.19820992]",PBE,5.507179178813192,0.0040119716620805705,56.0,1.0,0.10070506164290914,0.10070506164290914,dB,FindHistory,5.512725187000001,0.0230368065,"[14.5180477164, 14.6708692714, 14.8236908263, 14.9765123812, 15.1293339361, 15.282155491, 15.4349770459, 15.5877986008, 15.7406201557, 15.8934417106, 16.0462632655]" +21,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Pd,"[-5.19264158, -5.2012087, -5.20767883, -5.21218509, -5.21485652, -5.21580173, -5.21512913, -5.21294614, -5.2093436, -5.20441831, -5.19824849]",PBE,5.507179178813192,0.0040119716620805705,38.0,1.0,0.028894786879822883,0.028894786879822883,dB,FindHistory,5.5087704665,0.0221670606,"[14.518834558, 14.6716643954, 14.8244942329, 14.9773240703, 15.1301539078, 15.2829837452, 15.4358135827, 15.5886434201, 15.7414732576, 15.894303095, 16.0471329325]" +22,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Pd,"[-5.19198692, -5.20050723, -5.20693791, -5.21141623, -5.21405465, -5.21497229, -5.21427707, -5.21207451, -5.20845337, -5.20352, -5.19734447]",PBE,5.507179178813192,0.0040119716620805705,22.0,1.0,0.34064144233729515,0.34064144233729515,dB,FindHistory,5.5259389134,0.0316449565,"[14.524761772, 14.6776540012, 14.8305462303, 14.9834384595, 15.1363306887, 15.2892229179, 15.442115147, 15.5950073762, 15.7478996054, 15.9007918346, 16.0536840638]" +23,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Pd,"[-5.19254003, -5.20111571, -5.2075962, -5.21211293, -5.21479191, -5.21574645, -5.21508426, -5.2129085, -5.20931504, -5.20439893, -5.19824003]",PBE,5.507179178813192,0.0040119716620805705,66.0,1.0,0.1341406852209902,0.1341406852209902,dB,FindHistory,5.514566546699999,0.024140432200000003,"[14.5178913645, 14.6707112736, 14.8235311827, 14.9763510918, 15.1291710009, 15.28199091, 15.4348108191, 15.5876307282, 15.7404506373, 15.8932705464, 16.0460904555]" +24,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Pd,"[-5.19293824, -5.20147349, -5.20790893, -5.21238605, -5.21502391, -5.21593966, -5.21524046, -5.21302925, -5.2094028, -5.20444967, -5.19825731]",PBE,5.507179178813192,0.0040119716620805705,26.0,1.0,0.14629680504684306,0.14629680504684306,dB,FindHistory,5.515236006,0.0196872544,"[14.5207590183, 14.6736091132, 14.8264592081, 14.9793093031, 15.132159398, 15.2850094929, 15.4378595879, 15.5907096828, 15.7435597777, 15.8964098726, 16.0492599676]" +25,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Pd,"[-5.19254212, -5.20111493, -5.20759433, -5.21211185, -5.21478615, -5.21573783, -5.21507631, -5.21289816, -5.20930519, -5.20438524, -5.19822371]",PBE,5.507179178813192,0.0040119716620805705,62.0,1.0,0.07049757708526883,0.07049757708526883,dB,FindHistory,5.511061606699999,0.021758304000000003,"[14.5179037897, 14.6707238296, 14.8235438695, 14.9763639094, 15.1291839493, 15.2820039892, 15.4348240291, 15.587644069, 15.7404641089, 15.8932841488, 16.0461041887]" +26,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Pd,"[-5.19250213, -5.20102509, -5.20745834, -5.21192735, -5.21455558, -5.2154646, -5.21475452, -5.21253137, -5.20889823, -5.20394504, -5.19775342]",PBE,5.507179178813192,0.0040119716620805705,28.0,1.0,0.9626633920095865,0.9626633920095865,dB,FindHistory,5.5601947767,0.0321036977,"[14.5208828907, 14.6737342896, 14.8265856884, 14.9794370873, 15.1322884861, 15.285139885, 15.4379912838, 15.5908426827, 15.7436940815, 15.8965454804, 16.0493968792]" +27,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Pd,"[-5.36742147, -5.37337998, -5.37730252, -5.37941899, -5.37990216, -5.3786638700000005, -5.37586964, -5.37171623, -5.36617273, -5.35942294, -5.3515168]",PBE,5.507179178813192,0.0040119716620805705,4.0,1.0,1.2081676599367532,-1.2081676599367532,dB,FindHistory,5.440643221,0.1741480951,"[14.5457231788, 14.698836054400001, 14.85194893, 15.0050618055, 15.1581746811, 15.3112875567, 15.4644004322, 15.6175133078, 15.7706261834, 15.9237390589, 16.0768519345]" +28,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Pd,"[-5.1865640299999995, -5.19486343, -5.2011147, -5.20537599, -5.20782793, -5.2085522300000004, -5.20766843, -5.20525869, -5.20146398, -5.19636627, -5.19000779]",PBE,5.507179178813192,0.0040119716620805705,8.0,1.0,1.1752011907619846,1.1752011907619846,dB,FindHistory,5.5718996141,0.06252075430000001,"[14.5531846974, 14.7063761152, 14.8595675331, 15.012758951, 15.1659503688, 15.3191417867, 15.4723332046, 15.6255246224, 15.7787160403, 15.9319074582, 16.085098876]" +29,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Pd,"[-5.19266205, -5.20122369, -5.2076966, -5.21220407, -5.21486884, -5.21581227, -5.21513743, -5.21295349, -5.20935018, -5.20442112, -5.1982549]",PBE,5.507179178813192,0.0040119716620805705,30.0,1.0,0.307295730487845,0.307295730487845,dB,FindHistory,5.5241025053,0.025697258,"[14.519209977300001, 14.6720437665, 14.8248775558, 14.977711345, 15.1305451342, 15.2833789235, 15.4362127127, 15.5890465019, 15.7418802912, 15.8947140804, 16.0475478696]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Pd,"[-5.19252083, -5.20108921, -5.20756833, -5.21208245, -5.21475588, -5.2157089, -5.21504462, -5.21287009, -5.20927916, -5.20436238, -5.19820317]",PBE,5.507179178813192,0.0040119716620805705,50.0,1.0,0.12389004906645468,0.12389004906645468,dB,FindHistory,5.514002025800001,0.0210020881,"[14.5182259986, 14.6710494301, 14.8238728617, 14.9766962933, 15.1295197248, 15.2823431564, 15.4351665879, 15.5879900195, 15.7408134511, 15.8936368826, 16.0464603142]" +0,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Pd,"[-5.19246719, -5.20101763, -5.20749287, -5.21200214, -5.21467267, -5.21562077, -5.21495093, -5.21277054, -5.20917536, -5.20425092, -5.19809193]",PBE,15.294206224365801,2.4508146084730104e-05,36.0,1.0,0.00652319590544921,0.00652319590544921,v0,FindHistory,15.2952038954,0.00017079790000000002,"[14.5193056982, 14.672140495, 14.8249752918, 14.9778100886, 15.1306448855, 15.2834796823, 15.4363144791, 15.5891492759, 15.7419840727, 15.8948188696, 16.0476536664]" +1,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Pd,"[-5.19262168, -5.20116693, -5.20761976, -5.2121068600000005, -5.21475574, -5.21567968, -5.21499396, -5.21279652, -5.20918099, -5.20424148, -5.19806272]",PBE,15.294206224365801,2.4508146084730104e-05,34.0,1.0,0.0030611145092139538,-0.0030611145092139538,v0,FindHistory,15.293738051199998,9.10741e-05,"[14.5198162607, 14.6726564318, 14.825496603, 14.9783367742, 15.1311769453, 15.2840171165, 15.4368572877, 15.5896974588, 15.74253763, 15.8953778011, 16.0482179723]" +2,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Pd,"[-5.19265213, -5.20120689, -5.20767277, -5.212175, -5.21483869, -5.21577467, -5.21509394, -5.21290423, -5.20929554, -5.20436144, -5.19818804]",PBE,15.294206224365801,2.4508146084730104e-05,40.0,1.0,0.0033269393542764304,-0.0033269393542764304,v0,FindHistory,15.293697395399999,0.0001385503,"[14.5188492165, 14.6716792082, 14.8245092, 14.9773391917, 15.1301691835, 15.2829991752, 15.435829167, 15.5886591588, 15.7414891505, 15.8943191423, 16.047149134]" +3,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Pd,"[-5.19255129, -5.20111795, -5.20759213, -5.21210265, -5.21477655, -5.21572453, -5.21505699, -5.21287592, -5.20927815, -5.2043546, -5.19818898]",PBE,15.294206224365801,2.4508146084730104e-05,48.0,1.0,7.153777082147492e-05,7.153777082147492e-05,v0,FindHistory,15.2942171655,0.0001160393,"[14.5183487081, 14.6711734313, 14.8239981546, 14.9768228778, 15.1296476011, 15.2824723243, 15.4352970475, 15.5881217708, 15.740946494, 15.8937712173, 16.0465959405]" +4,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Pd,"[-5.19255474, -5.20112521, -5.20760677, -5.21212138, -5.21479664, -5.2157488, -5.21508329, -5.21290559, -5.20931157, -5.20439001, -5.19823317]",PBE,15.294206224365801,2.4508146084730104e-05,60.0,1.0,0.000631342119925,-0.000631342119925,v0,FindHistory,15.294109665599999,0.0001331065,"[14.5180068612, 14.6708279861, 14.8236491109, 14.9764702358, 15.1292913606, 15.2821124855, 15.4349336103, 15.5877547352, 15.74057586, 15.8933969849, 16.0462181098]" +5,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Pd,"[-5.19252238, -5.20109398, -5.20757463, -5.21209138, -5.21477184, -5.21572496, -5.21506301, -5.21288845, -5.20929509, -5.20438147, -5.19822405]",PBE,15.294206224365801,2.4508146084730104e-05,64.0,1.0,0.0006315276045261148,0.0006315276045261148,v0,FindHistory,15.294302811500001,0.0001349189,"[14.5179104401, 14.67073055, 14.8235506599, 14.9763707698, 15.1291908797, 15.2820109896, 15.4348310995, 15.5876512094, 15.7404713193, 15.8932914292, 16.0461115391]" +6,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Pd,"[-5.19278082, -5.20131249, -5.20775088, -5.21223356, -5.21487745, -5.21580016, -5.21510996, -5.21290267, -5.20928522, -5.20433968, -5.1981575]",PBE,15.294206224365801,2.4508146084730104e-05,24.0,1.0,0.007476236539663737,0.007476236539663737,v0,FindHistory,15.295349655399999,0.0001303211,"[14.5217048821, 14.6745649334, 14.8274249848, 14.9802850362, 15.1331450876, 15.286005139, 15.4388651904, 15.5917252418, 15.7445852932, 15.8974453446, 16.050305396]" +7,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Pd,"[-5.19257153, -5.20113627, -5.20761412, -5.21212533, -5.21479566, -5.2157442, -5.21507752, -5.2129009, -5.20930862, -5.20438479, -5.1982264]",PBE,15.294206224365801,2.4508146084730104e-05,54.0,1.0,0.0009795766030898465,-0.0009795766030898465,v0,FindHistory,15.2940564059,0.0001103611,"[14.5181155635, 14.6709378326, 14.8237601017, 14.9765823708, 15.1294046399, 15.2822269089, 15.435049178, 15.5878714471, 15.7406937162, 15.8935159853, 16.0463382544]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Pd,"[-5.19258355, -5.20113967, -5.20760224, -5.21210146, -5.21476329, -5.21569896, -5.2150198, -5.21282557, -5.20922229, -5.2042942, -5.1981265]",PBE,15.294206224365801,2.4508146084730104e-05,42.0,1.0,0.004418732531040153,-0.004418732531040153,v0,FindHistory,15.293530414300001,0.00013756020000000002,"[14.5187842474, 14.6716135553, 14.8244428632, 14.977272171, 15.1301014789, 15.2829307868, 15.4357600947, 15.5885894025, 15.7414187104, 15.8942480183, 16.0470773261]" +9,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Pd,"[-5.19252699, -5.20110197, -5.20758067, -5.21209909, -5.21477802, -5.21572973, -5.21506917, -5.21289228, -5.20929973, -5.20438473, -5.19822527]",PBE,15.294206224365801,2.4508146084730104e-05,70.0,1.0,0.00042061787880206804,-0.00042061787880206804,v0,FindHistory,15.294141894200001,0.0001203755,"[14.5178160756, 14.6706351922, 14.8234543087, 14.9762734253, 15.1290925419, 15.2819116585, 15.4347307751, 15.5875498917, 15.7403690082, 15.8931881248, 16.0460072414]" +10,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Pd,"[-5.19254579, -5.2011172, -5.20759872, -5.21211358, -5.2147931, -5.21574854, -5.21508706, -5.21291234, -5.20931706, -5.20439971, -5.19823927]",PBE,15.294206224365801,2.4508146084730104e-05,68.0,1.0,0.0004198173691249957,0.0004198173691249957,v0,FindHistory,15.294270432100001,0.0001230363,"[14.5178590981, 14.6706786675, 14.823498237, 14.9763178064, 15.1291373759, 15.2819569453, 15.4347765148, 15.5875960842, 15.7404156537, 15.8932352231, 16.0460547926]" +11,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Pd,"[-5.1925294, -5.20110677, -5.20758713, -5.21210639, -5.21478623, -5.21574102, -5.21507722, -5.2128998, -5.20931001, -5.20439238, -5.19823339]",PBE,15.294206224365801,2.4508146084730104e-05,58.0,1.0,0.0014755812160982644,0.0014755812160982644,v0,FindHistory,15.2944319028,0.0001248624,"[14.518070988, 14.6708927879, 14.8237145878, 14.9765363876, 15.1293581875, 15.2821799874, 15.4350017872, 15.5878235871, 15.740645387, 15.8934671869, 16.0462889867]" +12,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Pd,"[-5.1926051300000005, -5.20117414, -5.20764743, -5.212159, -5.21482805, -5.21577496, -5.21510682, -5.21292472, -5.2093255, -5.20440204, -5.19823669]",PBE,15.294206224365801,2.4508146084730104e-05,46.0,1.0,0.0001588037028141413,-0.0001588037028141413,v0,FindHistory,15.294181936600001,0.000105755,"[14.5184787705, 14.6713048628, 14.8241309551, 14.976957047500001, 15.1297831398, 15.2826092321, 15.4354353244, 15.5882614167, 15.7410875091, 15.8939136014, 16.0467396937]" +13,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Pd,"[-5.19017911, -5.19851694, -5.2047752, -5.20907188, -5.21153657, -5.21227956, -5.21138842, -5.20902899, -5.20529829, -5.20023617, -5.19397983]",PBE,15.294206224365801,2.4508146084730104e-05,14.0,1.0,0.001485054084317801,0.001485054084317801,v0,FindHistory,15.2944333516,0.00037111150000000004,"[14.5369854535, 14.690006353, 14.8430272525, 14.996048152, 15.1490690515, 15.302089951, 15.4551108505, 15.60813175, 15.7611526495, 15.9141735491, 16.0671944486]" +14,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Pd,"[-5.19306864, -5.20156737, -5.20797319, -5.21240847, -5.21501237, -5.21589448, -5.21516855, -5.21293822, -5.20928057, -5.20429242, -5.19806069]",PBE,15.294206224365801,2.4508146084730104e-05,20.0,1.0,0.01634693183238505,-0.01634693183238505,v0,FindHistory,15.2917060909,6.370699999999999e-05,"[14.5215614617, 14.6744200034, 14.8272785451, 14.9801370868, 15.1329956285, 15.2858541702, 15.4387127119, 15.5915712536, 15.7444297953, 15.897288337, 16.0501468787]" +15,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Pd,"[-5.1926261, -5.2011108, -5.20749525, -5.21191446, -5.21452308, -5.21541953, -5.21468734, -5.21244557, -5.20879155, -5.20381366, -5.19759409]",PBE,15.294206224365801,2.4508146084730104e-05,16.0,1.0,0.025192170666955956,0.025192170666955956,v0,FindHistory,15.2980591669,0.00017609870000000002,"[14.5276037982, 14.6805259434, 14.833448088699999, 14.9863702339, 15.1392923791, 15.2922145244, 15.4451366696, 15.5980588149, 15.7509809601, 15.9039031054, 16.0568252506]" +16,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Pd,"[-5.19378972, -5.20230537, -5.20870757, -5.21317144, -5.21579734, -5.21668524, -5.2159752, -5.21374269, -5.21010073, -5.20513311, -5.19892553]",PBE,15.294206224365801,2.4508146084730104e-05,18.0,1.0,0.0135344955824176,-0.0135344955824176,v0,FindHistory,15.292136230699999,0.0001642631,"[14.5208843362, 14.6737357503, 14.8265871643, 14.9794385784, 15.1322899924, 15.2851414065, 15.4379928206, 15.5908442346, 15.7436956487, 15.8965470628, 16.0493984768]" +17,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Pd,"[-5.19257134, -5.20114126, -5.2076221, -5.21213744, -5.21480967, -5.21576036, -5.21509489, -5.21291548, -5.20932071, -5.20439983, -5.19823987]",PBE,15.294206224365801,2.4508146084730104e-05,52.0,1.0,8.974552586001455e-05,-8.974552586001455e-05,v0,FindHistory,15.2941924985,0.0001244555,"[14.5181872552, 14.6710102789, 14.8238333027, 14.9766563264, 15.1294793502, 15.2823023739, 15.4351253976, 15.5879484214, 15.7407714451, 15.8935944688, 16.0464174926]" +18,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Pd,"[-5.1865640299999995, -5.19486343, -5.2011147, -5.20537599, -5.20782793, -5.2085522300000004, -5.20766843, -5.20525869, -5.20146398, -5.19636627, -5.19000779]",PBE,15.294206224365801,2.4508146084730104e-05,8.0,1.0,0.10210351034315408,0.10210351034315408,v0,FindHistory,15.3098221458,0.0003081638,"[14.5531846974, 14.7063761152, 14.8595675331, 15.012758951, 15.1659503688, 15.3191417867, 15.4723332046, 15.6255246224, 15.7787160403, 15.9319074582, 16.085098876]" +19,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Pd,"[-5.19280904, -5.20135508, -5.20781139, -5.21230184, -5.21495543, -5.21588963, -5.21520326, -5.21300991, -5.20939989, -5.20446695, -5.1982918399999996]",PBE,15.294206224365801,2.4508146084730104e-05,32.0,1.0,0.0008123577253969118,-0.0008123577253969118,v0,FindHistory,15.2940819807,0.0001121835,"[14.5196975967, 14.6725365188, 14.8253754408, 14.9782143629, 15.131053285, 15.2838922071, 15.4367311291, 15.5895700512, 15.7424089733, 15.8952478953, 16.0480868174]" +20,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Pd,"[-5.19257475, -5.20114429, -5.20761958, -5.21213322, -5.21480761, -5.21575927, -5.21509564, -5.21291848, -5.20932393, -5.20440573, -5.19824329]",PBE,15.294206224365801,2.4508146084730104e-05,44.0,1.0,0.003253959878001344,0.003253959878001344,v0,FindHistory,15.294703891700001,0.0001041396,"[14.518528611, 14.6713552279, 14.8241818449, 14.9770084618, 15.1298350788, 15.2826616958, 15.4354883127, 15.5883149297, 15.7411415466, 15.8939681636, 16.0467947806]" +21,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Pd,"[-5.19254873, -5.20111863, -5.20759269, -5.21210578, -5.21477753, -5.2157289, -5.21506543, -5.21288526, -5.20928922, -5.20437154, -5.19820992]",PBE,15.294206224365801,2.4508146084730104e-05,56.0,1.0,0.0009386454170744939,-0.0009386454170744939,v0,FindHistory,15.294062665999999,0.000112965,"[14.5180477164, 14.6708692714, 14.8236908263, 14.9765123812, 15.1293339361, 15.282155491, 15.4349770459, 15.5877986008, 15.7406201557, 15.8934417106, 16.0462632655]" +22,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Pd,"[-5.19264158, -5.2012087, -5.20767883, -5.21218509, -5.21485652, -5.21580173, -5.21512913, -5.21294614, -5.2093436, -5.20441831, -5.19824849]",PBE,15.294206224365801,2.4508146084730104e-05,38.0,1.0,0.001165566434648912,0.001165566434648912,v0,FindHistory,15.294384488499999,0.0001087173,"[14.518834558, 14.6716643954, 14.8244942329, 14.9773240703, 15.1301539078, 15.2829837452, 15.4358135827, 15.5886434201, 15.7414732576, 15.894303095, 16.0471329325]" +23,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Pd,"[-5.19198692, -5.20050723, -5.20693791, -5.21141623, -5.21405465, -5.21497229, -5.21427707, -5.21207451, -5.20845337, -5.20352, -5.19734447]",PBE,15.294206224365801,2.4508146084730104e-05,22.0,1.0,0.02659086764320792,0.02659086764320792,v0,FindHistory,15.298273086500002,0.0001553361,"[14.524761772, 14.6776540012, 14.8305462303, 14.9834384595, 15.1363306887, 15.2892229179, 15.442115147, 15.5950073762, 15.7478996054, 15.9007918346, 16.0536840638]" +24,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Pd,"[-5.19254003, -5.20111571, -5.2075962, -5.21211293, -5.21479191, -5.21574645, -5.21508426, -5.2129085, -5.20931504, -5.20439893, -5.19824003]",PBE,15.294206224365801,2.4508146084730104e-05,66.0,1.0,0.00021728119596855927,0.00021728119596855927,v0,FindHistory,15.2942394558,0.0001183646,"[14.5178913645, 14.6707112736, 14.8235311827, 14.9763510918, 15.1291710009, 15.28199091, 15.4348108191, 15.5876307282, 15.7404506373, 15.8932705464, 16.0460904555]" +25,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Pd,"[-5.19293824, -5.20147349, -5.20790893, -5.21238605, -5.21502391, -5.21593966, -5.21524046, -5.21302925, -5.2094028, -5.20444967, -5.19825731]",PBE,15.294206224365801,2.4508146084730104e-05,26.0,1.0,0.003584108634087744,-0.003584108634087744,v0,FindHistory,15.293658063399999,9.662450000000001e-05,"[14.5207590183, 14.6736091132, 14.8264592081, 14.9793093031, 15.132159398, 15.2850094929, 15.4378595879, 15.5907096828, 15.7435597777, 15.8964098726, 16.0492599676]" +26,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Pd,"[-5.19254212, -5.20111493, -5.20759433, -5.21211185, -5.21478615, -5.21573783, -5.21507631, -5.21289816, -5.20930519, -5.20438524, -5.19822371]",PBE,15.294206224365801,2.4508146084730104e-05,62.0,1.0,0.0006647201189183415,-0.0006647201189183415,v0,FindHistory,15.2941045607,0.0001066888,"[14.5179037897, 14.6707238296, 14.8235438695, 14.9763639094, 15.1291839493, 15.2820039892, 15.4348240291, 15.587644069, 15.7404641089, 15.8932841488, 16.0461041887]" +27,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Pd,"[-5.19250213, -5.20102509, -5.20745834, -5.21192735, -5.21455558, -5.2154646, -5.21475452, -5.21253137, -5.20889823, -5.20394504, -5.19775342]",PBE,15.294206224365801,2.4508146084730104e-05,28.0,1.0,0.008634536153290599,-0.008634536153290599,v0,FindHistory,15.2928856406,0.0001575873,"[14.5208828907, 14.6737342896, 14.8265856884, 14.9794370873, 15.1322884861, 15.285139885, 15.4379912838, 15.5908426827, 15.7436940815, 15.8965454804, 16.0493968792]" +28,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Pd,"[-5.36742147, -5.37337998, -5.37730252, -5.37941899, -5.37990216, -5.3786638700000005, -5.37586964, -5.37171623, -5.36617273, -5.35942294, -5.3515168]",PBE,15.294206224365801,2.4508146084730104e-05,4.0,1.0,1.1553955201956223,-1.1553955201956223,v0,FindHistory,15.117497650799999,0.0007418389999999999,"[14.5457231788, 14.698836054400001, 14.85194893, 15.0050618055, 15.1581746811, 15.3112875567, 15.4644004322, 15.6175133078, 15.7706261834, 15.9237390589, 16.0768519345]" +29,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Pd,"[-5.19266205, -5.20122369, -5.2076966, -5.21220407, -5.21486884, -5.21581227, -5.21513743, -5.21295349, -5.20935018, -5.20442112, -5.1982549]",PBE,15.294206224365801,2.4508146084730104e-05,30.0,1.0,0.0022944154737462303,0.0022944154737462303,v0,FindHistory,15.294557137,0.0001260399,"[14.519209977300001, 14.6720437665, 14.8248775558, 14.977711345, 15.1305451342, 15.2833789235, 15.4362127127, 15.5890465019, 15.7418802912, 15.8947140804, 16.0475478696]" +30,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Pd,"[-5.19252083, -5.20108921, -5.20756833, -5.21208245, -5.21475588, -5.2157089, -5.21504462, -5.21287009, -5.20927916, -5.20436238, -5.19820317]",PBE,15.294206224365801,2.4508146084730104e-05,50.0,1.0,0.0016883245224435085,0.0016883245224435085,v0,FindHistory,15.2944644402,0.0001029854,"[14.5182259986, 14.6710494301, 14.8238728617, 14.9766962933, 15.1295197248, 15.2823431564, 15.4351665879, 15.5879900195, 15.7408134511, 15.8936368826, 16.0464603142]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,372.025927768416,121.68425515274299,62.0,1.0,0.016957027187437936,-0.016957027187437936,B,hcp,371.9628432307,0.0598490689,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,372.025927768416,121.68425515274299,8.0,1.0,0.06450138891001177,-0.06450138891001177,B,hcp,371.7859658779,0.0639792144,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,372.025927768416,121.68425515274299,36.0,1.0,0.027770809399159824,-0.027770809399159824,B,hcp,371.9226131571,0.06491910349999999,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,372.025927768416,121.68425515274299,38.0,1.0,0.009533284816132914,0.009533284816132914,B,hcp,372.06139405970004,0.0670857517,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,372.025927768416,121.68425515274299,12.0,1.0,0.006530959879519359,0.006530959879519359,B,hcp,372.0502246325,0.0934709183,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,372.025927768416,121.68425515274299,30.0,1.0,0.025890427815537104,0.025890427815537104,B,hcp,372.1222468727,0.0717933159,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -24.835773, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",PBE,372.025927768416,121.68425515274299,58.0,1.0,0.00026151441161221145,-0.00026151441161221145,B,hcp,372.02495486699996,0.0663479183,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",PBE,372.025927768416,121.68425515274299,8.0,1.0,0.06458165081590617,-0.06458165081590617,B,hcp,371.7856672828,0.0997779715,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,372.025927768416,121.68425515274299,34.0,1.0,0.014554752812212452,0.014554752812212452,B,hcp,372.08007522260004,0.07105897679999999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",PBE,372.025927768416,121.68425515274299,26.0,1.0,0.010870819047101321,-0.010870819047101321,B,hcp,371.985485503,0.065588272,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,372.025927768416,121.68425515274299,50.0,1.0,32762306.92333665,32762306.92333665,B,hcp,121884648.31580694,120363508.65904444,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,372.025927768416,121.68425515274299,14.0,1.0,0.0814830656837136,0.0814830656837136,B,hcp,372.3290658995,0.06572836209999999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",PBE,372.025927768416,121.68425515274299,64.0,1.0,0.004230111481311167,0.004230111481311167,B,hcp,372.0416648799,0.0693270705,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",PBE,372.025927768416,121.68425515274299,42.0,1.0,0.000627445403609271,0.000627445403609271,B,hcp,372.02826202800003,0.0707377819,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,372.025927768416,121.68425515274299,28.0,1.0,242232.53319967748,242232.53319967748,B,hcp,901539.854920805,1482173.7376857738,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.850179, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",PBE,372.025927768416,121.68425515274299,24.0,1.0,0.004117864824069334,-0.004117864824069334,B,hcp,372.0106082436,0.0762186091,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,372.025927768416,121.68425515274299,10.0,1.0,0.2833361116089114,-0.2833361116089114,B,hcp,370.9718439705,0.085965734,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,372.025927768416,121.68425515274299,60.0,1.0,0.011324802289098107,0.011324802289098107,B,hcp,372.06805896919997,0.0692144999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,372.025927768416,121.68425515274299,54.0,1.0,0.014553909887079965,0.014553909887079965,B,hcp,372.0800720867,0.06646604,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",PBE,372.025927768416,121.68425515274299,20.0,1.0,0.05454927657900548,0.05454927657900548,B,hcp,372.2288652207,0.06984991410000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",PBE,372.025927768416,121.68425515274299,26.0,1.0,0.010970751544338075,-0.010970751544338075,B,hcp,371.9851137282,0.06535228130000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,372.025927768416,121.68425515274299,62.0,1.0,0.016957027187437936,-0.016957027187437936,B,hcp,371.9628432307,0.0598490689,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,372.025927768416,121.68425515274299,48.0,1.0,0.006137767454276043,-0.006137767454276043,B,hcp,372.0030936821,0.0682650766,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,372.025927768416,121.68425515274299,40.0,1.0,0.005984312657316436,0.005984312657316436,B,hcp,372.04819096309996,0.0667634753,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,372.025927768416,121.68425515274299,6.0,1.0,0.2394731005518928,0.2394731005518928,B,hcp,372.9168297925,0.1081163396,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,372.025927768416,121.68425515274299,6.0,1.0,0.2394731005518928,0.2394731005518928,B,hcp,372.9168297925,0.1081163396,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,372.025927768416,121.68425515274299,28.0,1.0,0.005749725736672749,-0.005749725736672749,B,hcp,372.0045372979,0.0595579311,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,372.025927768416,121.68425515274299,8.0,1.0,0.06450138891001177,-0.06450138891001177,B,hcp,371.7859658779,0.0639792144,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,372.025927768416,121.68425515274299,38.0,1.0,0.009533284816132914,0.009533284816132914,B,hcp,372.06139405970004,0.0670857517,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,372.025927768416,121.68425515274299,36.0,1.0,0.027770809399159824,-0.027770809399159824,B,hcp,371.9226131571,0.06491910349999999,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,372.025927768416,121.68425515274299,14.0,1.0,0.08155297054264807,0.08155297054264807,B,hcp,372.3293259637,0.0663990386,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,372.025927768416,121.68425515274299,50.0,1.0,0.0007381602676093179,0.0007381602676093179,B,hcp,372.028673916,0.0678454488,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,372.025927768416,121.68425515274299,10.0,1.0,292274308.7133812,292274308.7133812,B,hcp,1087336580.6456084,3013932271.1145163,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,372.025927768416,121.68425515274299,44.0,1.0,1348455.8497492336,1348455.8497492336,B,hcp,5016977.411504832,8253083.0227404125,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,372.025927768416,121.68425515274299,46.0,1.0,0.008269363231893305,0.008269363231893305,B,hcp,372.0566919437,0.0666914562,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,372.025927768416,121.68425515274299,52.0,1.0,0.010825087924808298,0.010825087924808298,B,hcp,372.0661999022,0.0674589309,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,372.025927768416,121.68425515274299,12.0,1.0,0.006530959879519359,0.006530959879519359,B,hcp,372.0502246325,0.0934709183,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,372.025927768416,121.68425515274299,16.0,1.0,0.06831072915817259,-0.06831072915817259,B,hcp,371.77179414449995,0.06745626190000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,372.025927768416,121.68425515274299,40.0,1.0,0.005984312657316436,0.005984312657316436,B,hcp,372.04819096309996,0.0667634753,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,372.025927768416,121.68425515274299,44.0,1.0,0.0094525872685578,0.0094525872685578,B,hcp,372.0610938439,0.0686815699,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,372.025927768416,121.68425515274299,22.0,1.0,0.01664900509907047,0.01664900509907047,B,hcp,372.08786638410004,0.0615341011,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,372.025927768416,121.68425515274299,48.0,1.0,0.006137767454276043,-0.006137767454276043,B,hcp,372.0030936821,0.0682650766,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,372.025927768416,121.68425515274299,4.0,1.0,0.1406940718771106,-0.1406940718771106,B,hcp,371.5025093422,0.2011895132,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,372.025927768416,121.68425515274299,18.0,1.0,0.00031663824914255733,0.00031663824914255733,B,hcp,372.02710574480005,0.0644812161,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,372.025927768416,121.68425515274299,52.0,1.0,0.010825087924808298,0.010825087924808298,B,hcp,372.0661999022,0.0674589309,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815565, -24.835777, -24.848022, -24.852733, -24.850317, -24.84116, -24.825638, -24.804094, -24.776856, -24.744235]",PBE,372.025927768416,121.68425515274299,68.0,1.0,0.005855367155365393,0.005855367155365393,B,hcp,372.0477112524,0.067828332,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -7272488.9, -24.744474]",PBE,372.025927768416,121.68425515274299,20.0,1.0,2053668729.2611446,-2053668729.2611446,B,hcp,-7640179771.297685,26917450389.380085,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786887, -24.81552, -24.835724, -24.84798, -862711.65, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,372.025927768416,121.68425515274299,34.0,1.0,324882636.35028553,324882636.35028553,B,hcp,1208648014.0665667,1421859836.4697974,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",PBE,372.025927768416,121.68425515274299,36.0,1.0,0.001238535669714143,-0.001238535669714143,B,hcp,372.0213200946,0.07117458830000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,372.025927768416,121.68425515274299,56.0,1.0,0.003209124013368831,0.003209124013368831,B,hcp,372.0378665418,0.0695263037,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,372.025927768416,121.68425515274299,4.0,1.0,0.1406940718771106,-0.1406940718771106,B,hcp,371.5025093422,0.2011895132,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,372.025927768416,121.68425515274299,16.0,1.0,0.06821491793281666,-0.06821491793281666,B,hcp,371.7721505871,0.0678092718,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",PBE,372.025927768416,121.68425515274299,32.0,1.0,0.008221653581907637,-0.008221653581907637,B,hcp,371.9953410854,0.06677385570000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,372.025927768416,121.68425515274299,30.0,1.0,0.025890427815537104,0.025890427815537104,B,hcp,372.1222468727,0.0717933159,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,372.025927768416,121.68425515274299,18.0,1.0,0.00031663824914255733,0.00031663824914255733,B,hcp,372.02710574480005,0.0644812161,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,372.025927768416,121.68425515274299,56.0,1.0,0.003209124013368831,0.003209124013368831,B,hcp,372.0378665418,0.0695263037,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,372.025927768416,121.68425515274299,54.0,1.0,142873.59732361624,142873.59732361624,B,hcp,531898.8519070626,625254.6341729864,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,372.025927768416,121.68425515274299,22.0,1.0,0.01664900509907047,0.01664900509907047,B,hcp,372.08786638410004,0.0615341011,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,372.025927768416,121.68425515274299,60.0,1.0,0.011324802289098107,0.011324802289098107,B,hcp,372.06805896919997,0.0692144999,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,372.025927768416,121.68425515274299,46.0,1.0,0.008269363231893305,0.008269363231893305,B,hcp,372.0566919437,0.0666914562,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,-24.852807144664602,0.0190182513319773,62.0,1.0,-5.871222238073566e-05,5.871222238073566e-05,E0,hcp,-24.8528217363,7.2997000000000014e-06,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,-24.852807144664602,0.0190182513319773,8.0,1.0,-0.010053553105927631,-0.010053553105927631,E0,hcp,-24.8503085545,7.8727e-06,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,-24.852807144664602,0.0190182513319773,36.0,1.0,-1.217663413138828e-05,1.217663413138828e-05,E0,hcp,-24.8528101709,7.9263e-06,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,-24.852807144664602,0.0190182513319773,38.0,1.0,-4.380617665271633e-05,-4.380617665271633e-05,E0,hcp,-24.8527962576,6.886900000000002e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,-24.852807144664602,0.0190182513319773,12.0,1.0,-0.0031756418130261532,0.0031756418130261532,E0,hcp,-24.8535963808,9.5803e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,-24.852807144664602,0.0190182513319773,30.0,1.0,-8.12694327756687e-05,8.12694327756687e-05,E0,hcp,-24.852827342399998,7.3716e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -24.835773, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",PBE,-24.852807144664602,0.0190182513319773,58.0,1.0,-6.716450382465121e-05,-6.716450382465121e-05,E0,hcp,-24.852790452399997,6.8082e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",PBE,-24.852807144664602,0.0190182513319773,8.0,1.0,-0.010124948260188433,-0.010124948260188433,E0,hcp,-24.8502908108,1.04028e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,-24.852807144664602,0.0190182513319773,34.0,1.0,-0.0002016817026351481,-0.0002016817026351481,E0,hcp,-24.8527570211,7.2924000000000015e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",PBE,-24.852807144664602,0.0190182513319773,26.0,1.0,-0.0007621805597326124,-0.0007621805597326124,E0,hcp,-24.852617721399998,6.7303000000000014e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,-24.852807144664602,0.0190182513319773,50.0,1.0,-82049.18966329317,82049.18966329317,E0,hcp,-20416.379677923,15064.4196822552,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,-24.852807144664602,0.0190182513319773,14.0,1.0,-0.0018263837672513308,0.0018263837672513308,E0,hcp,-24.8532610523,6.7725e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",PBE,-24.852807144664602,0.0190182513319773,64.0,1.0,-6.92242308865218e-05,-6.92242308865218e-05,E0,hcp,-24.852789940500003,7.115599999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",PBE,-24.852807144664602,0.0190182513319773,42.0,1.0,-4.661109118410434e-05,-4.661109118410434e-05,E0,hcp,-24.852795560500002,7.2595000000000005e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,-24.852807144664602,0.0190182513319773,28.0,1.0,-412.27005985008685,412.27005985008685,E0,hcp,-127.3134900344,72.9146452488,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.850179, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",PBE,-24.852807144664602,0.0190182513319773,24.0,1.0,-0.0006198449281997302,-0.0006198449281997302,E0,hcp,-24.8526530958,7.828300000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,-24.852807144664602,0.0190182513319773,10.0,1.0,-0.02121664982917261,-0.02121664982917261,E0,hcp,-24.8475342116,8.747000000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,-24.852807144664602,0.0190182513319773,60.0,1.0,-2.881507075432023e-06,2.881507075432023e-06,E0,hcp,-24.8528078608,7.1033e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,-24.852807144664602,0.0190182513319773,54.0,1.0,-3.556232238559585e-05,3.556232238559585e-05,E0,hcp,-24.8528159829,6.8224e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",PBE,-24.852807144664602,0.0190182513319773,20.0,1.0,-0.0015156277244860797,0.0015156277244860797,E0,hcp,-24.8531838207,7.159800000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",PBE,-24.852807144664602,0.0190182513319773,26.0,1.0,-0.0007618393507922406,-0.0007618393507922406,E0,hcp,-24.852617806199998,6.7064e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,-24.852807144664602,0.0190182513319773,62.0,1.0,-5.871222238073566e-05,5.871222238073566e-05,E0,hcp,-24.8528217363,7.2997000000000014e-06,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,-24.852807144664602,0.0190182513319773,48.0,1.0,-0.0001350224318946985,-0.0001350224318946985,E0,hcp,-24.8527735878,7.0082e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,-24.852807144664602,0.0190182513319773,40.0,1.0,-0.0001329639119185869,-0.0001329639119185869,E0,hcp,-24.8527740994,6.8525e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,-24.852807144664602,0.0190182513319773,6.0,1.0,-0.011444034948826998,0.011444034948826998,E0,hcp,-24.855651308600002,1.14653e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,-24.852807144664602,0.0190182513319773,6.0,1.0,-0.011444034948826998,0.011444034948826998,E0,hcp,-24.855651308600002,1.14653e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,-24.852807144664602,0.0190182513319773,28.0,1.0,-0.00023112976761190064,0.00023112976761190064,E0,hcp,-24.8528645869,6.1112e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,-24.852807144664602,0.0190182513319773,8.0,1.0,-0.010053553105927631,-0.010053553105927631,E0,hcp,-24.8503085545,7.8727e-06,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,-24.852807144664602,0.0190182513319773,38.0,1.0,-4.380617665271633e-05,-4.380617665271633e-05,E0,hcp,-24.8527962576,6.886900000000002e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,-24.852807144664602,0.0190182513319773,36.0,1.0,-1.217663413138828e-05,1.217663413138828e-05,E0,hcp,-24.8528101709,7.9263e-06,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,-24.852807144664602,0.0190182513319773,14.0,1.0,-0.0018260791738889245,0.0018260791738889245,E0,hcp,-24.853260976599998,6.841900000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,-24.852807144664602,0.0190182513319773,50.0,1.0,-9.856176189630655e-05,-9.856176189630655e-05,E0,hcp,-24.8527826493,6.963200000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,-24.852807144664602,0.0190182513319773,10.0,1.0,-292050.0671794951,292050.0671794951,E0,hcp,-72607.492769128,50845.717788202404,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,-24.852807144664602,0.0190182513319773,44.0,1.0,-2295.157092353212,2295.157092353212,E0,hcp,-595.2637729743,405.9402461958,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,-24.852807144664602,0.0190182513319773,46.0,1.0,-2.5428658265128293e-05,2.5428658265128293e-05,E0,hcp,-24.8528134644,6.8452e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,-24.852807144664602,0.0190182513319773,52.0,1.0,-3.2837596796489524e-05,-3.2837596796489524e-05,E0,hcp,-24.8527989836,6.9225e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,-24.852807144664602,0.0190182513319773,12.0,1.0,-0.0031756418130261532,0.0031756418130261532,E0,hcp,-24.8535963808,9.5803e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,-24.852807144664602,0.0190182513319773,16.0,1.0,-0.002243816005790251,-0.002243816005790251,E0,hcp,-24.852249493400002,6.9305999999999985e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,-24.852807144664602,0.0190182513319773,40.0,1.0,-0.0001329639119185869,-0.0001329639119185869,E0,hcp,-24.8527740994,6.8525e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,-24.852807144664602,0.0190182513319773,44.0,1.0,-9.142373524506654e-05,-9.142373524506654e-05,E0,hcp,-24.852784423299997,7.0477e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,-24.852807144664602,0.0190182513319773,22.0,1.0,-9.438517132214194e-05,-9.438517132214194e-05,E0,hcp,-24.8527836873,6.3221e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,-24.852807144664602,0.0190182513319773,48.0,1.0,-0.0001350224318946985,-0.0001350224318946985,E0,hcp,-24.8527735878,7.0082e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,-24.852807144664602,0.0190182513319773,4.0,1.0,-0.18249831003550876,0.18249831003550876,E0,hcp,-24.8981630977,1.86734e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,-24.852807144664602,0.0190182513319773,18.0,1.0,-0.0035222514684368233,-0.0035222514684368233,E0,hcp,-24.8519317663,6.612999999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,-24.852807144664602,0.0190182513319773,52.0,1.0,-3.2837596796489524e-05,-3.2837596796489524e-05,E0,hcp,-24.8527989836,6.9225e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815565, -24.835777, -24.848022, -24.852733, -24.850317, -24.84116, -24.825638, -24.804094, -24.776856, -24.744235]",PBE,-24.852807144664602,0.0190182513319773,68.0,1.0,-2.0908562055545833e-05,-2.0908562055545833e-05,E0,hcp,-24.852801948299998,6.9613000000000014e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -7272488.9, -24.744474]",PBE,-24.852807144664602,0.0190182513319773,20.0,1.0,-1112712.7139408924,-1112712.7139408924,E0,hcp,276515.4920627488,1332554.1812380229,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786887, -24.81552, -24.835724, -24.84798, -862711.65, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,-24.852807144664602,0.0190182513319773,34.0,1.0,-743402.9827158593,743402.9827158593,E0,hcp,-184781.36240920148,135350.8065735688,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",PBE,-24.852807144664602,0.0190182513319773,36.0,1.0,-6.672672630815816e-05,-6.672672630815816e-05,E0,hcp,-24.8527905612,7.301499999999999e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,-24.852807144664602,0.0190182513319773,56.0,1.0,-8.752759588927825e-05,-8.752759588927825e-05,E0,hcp,-24.852785391599998,7.136799999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,-24.852807144664602,0.0190182513319773,4.0,1.0,-0.18249831003550876,0.18249831003550876,E0,hcp,-24.8981630977,1.86734e-05,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,-24.852807144664602,0.0190182513319773,16.0,1.0,-0.002243237399143133,-0.002243237399143133,E0,hcp,-24.852249637199996,6.9673e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",PBE,-24.852807144664602,0.0190182513319773,32.0,1.0,-0.0006179755216708944,-0.0006179755216708944,E0,hcp,-24.8526535604,6.853100000000001e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,-24.852807144664602,0.0190182513319773,30.0,1.0,-8.12694327756687e-05,8.12694327756687e-05,E0,hcp,-24.852827342399998,7.3716e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,-24.852807144664602,0.0190182513319773,18.0,1.0,-0.0035222514684368233,-0.0035222514684368233,E0,hcp,-24.8519317663,6.612999999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,-24.852807144664602,0.0190182513319773,56.0,1.0,-8.752759588927825e-05,-8.752759588927825e-05,E0,hcp,-24.852785391599998,7.136799999999998e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,-24.852807144664602,0.0190182513319773,54.0,1.0,-326.9148799707223,326.9148799707223,E0,hcp,-106.100331791,59.520577582,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,-24.852807144664602,0.0190182513319773,22.0,1.0,-9.438517132214194e-05,-9.438517132214194e-05,E0,hcp,-24.8527836873,6.3221e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,-24.852807144664602,0.0190182513319773,60.0,1.0,-2.881507075432023e-06,2.881507075432023e-06,E0,hcp,-24.8528078608,7.1033e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,-24.852807144664602,0.0190182513319773,46.0,1.0,-2.5428658265128293e-05,2.5428658265128293e-05,E0,hcp,-24.8528134644,6.8452e-06,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,4.576832418139901,0.0209905193788518,62.0,1.0,1.195346019728979,-1.195346019728979,dB,hcp,4.522123434,0.017417784199999998,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,4.576832418139901,0.0209905193788518,8.0,1.0,2.016640735502664,-2.016640735502664,dB,hcp,4.4845341512,0.018848325000000003,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,4.576832418139901,0.0209905193788518,36.0,1.0,1.0494049672769366,-1.0494049672769366,dB,hcp,4.5288029114,0.0189212325,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,4.576832418139901,0.0209905193788518,38.0,1.0,0.20378510305802028,0.20378510305802028,dB,hcp,4.5861593208,0.016367979300000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,4.576832418139901,0.0209905193788518,12.0,1.0,0.12234579832780508,0.12234579832780508,dB,hcp,4.5824319803,0.0227652612,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,4.576832418139901,0.0209905193788518,30.0,1.0,0.2365221701627977,0.2365221701627977,dB,hcp,4.5876576415,0.0175204133,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -24.835773, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",PBE,4.576832418139901,0.0209905193788518,58.0,1.0,0.20188026818458082,0.20188026818458082,dB,hcp,4.586072139700001,0.0161829281,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",PBE,4.576832418139901,0.0209905193788518,8.0,1.0,0.46478178566446227,-0.46478178566446227,dB,hcp,4.5555601347,0.0247878449,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,4.576832418139901,0.0209905193788518,34.0,1.0,0.33122834692428393,0.33122834692428393,dB,hcp,4.5919921845000005,0.0173322854,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",PBE,4.576832418139901,0.0209905193788518,26.0,1.0,0.021821702187353714,-0.021821702187353714,dB,hcp,4.5758336754,0.0159976221,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,4.576832418139901,0.0209905193788518,50.0,1.0,128.2408466601735,-128.2408466601735,dB,hcp,-1.2925362251,110.1711018,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,4.576832418139901,0.0209905193788518,14.0,1.0,0.2948081451840229,0.2948081451840229,dB,hcp,4.5903252929,0.016094963900000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",PBE,4.576832418139901,0.0209905193788518,64.0,1.0,0.22616170343213574,0.22616170343213574,dB,hcp,4.5871834603,0.016913091,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",PBE,4.576832418139901,0.0209905193788518,42.0,1.0,0.17472224083199486,0.17472224083199486,dB,hcp,4.5848291623,0.0172556136,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,4.576832418139901,0.0209905193788518,28.0,1.0,1450.0394935703648,1450.0394935703648,dB,hcp,70.9427100357,192.4270372042,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.850179, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",PBE,4.576832418139901,0.0209905193788518,24.0,1.0,0.09599430258108468,0.09599430258108468,dB,hcp,4.581225916499999,0.018611103400000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,4.576832418139901,0.0209905193788518,10.0,1.0,0.7752621638334121,-0.7752621638334121,dB,hcp,4.5413499681000005,0.020818973,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,4.576832418139901,0.0209905193788518,60.0,1.0,0.2306098234723727,0.2306098234723727,dB,hcp,4.5873870433,0.016883240900000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,4.576832418139901,0.0209905193788518,54.0,1.0,0.23607748051413727,0.23607748051413727,dB,hcp,4.5876372888,0.016214568500000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",PBE,4.576832418139901,0.0209905193788518,20.0,1.0,0.3309361732378112,0.3309361732378112,dB,hcp,4.591978812200001,0.0170085889,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",PBE,4.576832418139901,0.0209905193788518,26.0,1.0,0.030520469448801813,-0.030520469448801813,dB,hcp,4.5754355474,0.0159402231,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,4.576832418139901,0.0209905193788518,62.0,1.0,1.195346019728979,-1.195346019728979,dB,hcp,4.522123434,0.017417784199999998,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,4.576832418139901,0.0209905193788518,48.0,1.0,0.144571777062971,0.144571777062971,dB,hcp,4.5834492261,0.0166595633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,4.576832418139901,0.0209905193788518,40.0,1.0,0.304045243276674,0.304045243276674,dB,hcp,4.5907480594,0.0162867544,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,4.576832418139901,0.0209905193788518,6.0,1.0,0.8835147382681217,0.8835147382681217,dB,hcp,4.6172694071,0.0273025822,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,4.576832418139901,0.0209905193788518,6.0,1.0,0.8835147382681217,0.8835147382681217,dB,hcp,4.6172694071,0.0273025822,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,4.576832418139901,0.0209905193788518,28.0,1.0,0.30133863991691257,0.30133863991691257,dB,hcp,4.5906241827,0.014527225800000003,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,4.576832418139901,0.0209905193788518,8.0,1.0,2.016640735502664,-2.016640735502664,dB,hcp,4.4845341512,0.018848325000000003,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,4.576832418139901,0.0209905193788518,38.0,1.0,0.20378510305802028,0.20378510305802028,dB,hcp,4.5861593208,0.016367979300000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,4.576832418139901,0.0209905193788518,36.0,1.0,1.0494049672769366,-1.0494049672769366,dB,hcp,4.5288029114,0.0189212325,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,4.576832418139901,0.0209905193788518,14.0,1.0,0.29153206281304067,0.29153206281304067,dB,hcp,4.5901753521,0.016258268899999997,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,4.576832418139901,0.0209905193788518,50.0,1.0,0.13207706133482608,0.13207706133482608,dB,hcp,4.5828773639,0.0165498398,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,4.576832418139901,0.0209905193788518,10.0,1.0,3332.014019360553,3332.014019360553,dB,hcp,157.0775302332,518.6690115047,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,4.576832418139901,0.0209905193788518,44.0,1.0,1450.3378279892936,1450.3378279892936,dB,hcp,70.9563643021,192.5580594462,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,4.576832418139901,0.0209905193788518,46.0,1.0,0.1744886557009673,0.1744886557009673,dB,hcp,4.584818471499999,0.0162707377,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,4.576832418139901,0.0209905193788518,52.0,1.0,0.24105693965049013,0.24105693965049013,dB,hcp,4.5878651903000005,0.016454223799999997,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,4.576832418139901,0.0209905193788518,12.0,1.0,0.12234579832780508,0.12234579832780508,dB,hcp,4.5824319803,0.0227652612,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,4.576832418139901,0.0209905193788518,16.0,1.0,0.3688215455124645,0.3688215455124645,dB,hcp,4.5937127622,0.0164891853,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,4.576832418139901,0.0209905193788518,40.0,1.0,0.304045243276674,0.304045243276674,dB,hcp,4.5907480594,0.0162867544,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,4.576832418139901,0.0209905193788518,44.0,1.0,0.306279421648478,0.306279421648478,dB,hcp,4.590850314,0.0167495839,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,4.576832418139901,0.0209905193788518,22.0,1.0,0.16224845442598138,0.16224845442598138,dB,hcp,4.584258258,0.015027207,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,4.576832418139901,0.0209905193788518,48.0,1.0,0.144571777062971,0.144571777062971,dB,hcp,4.5834492261,0.0166595633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,4.576832418139901,0.0209905193788518,4.0,1.0,2.040391222754319,-2.040391222754319,dB,hcp,4.4834471312,0.043744089000000014,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,4.576832418139901,0.0209905193788518,18.0,1.0,0.29035527513370807,0.29035527513370807,dB,hcp,4.5901214925,0.0157181224,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,4.576832418139901,0.0209905193788518,52.0,1.0,0.24105693965049013,0.24105693965049013,dB,hcp,4.5878651903000005,0.016454223799999997,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815565, -24.835777, -24.848022, -24.852733, -24.850317, -24.84116, -24.825638, -24.804094, -24.776856, -24.744235]",PBE,4.576832418139901,0.0209905193788518,68.0,1.0,0.20278763590543383,0.20278763590543383,dB,hcp,4.5861136684,0.0165456004,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -7272488.9, -24.744474]",PBE,4.576832418139901,0.0209905193788518,20.0,1.0,218.54142955763245,218.54142955763245,dB,hcp,14.5791074132,174.3530928305,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786887, -24.81552, -24.835724, -24.84798, -862711.65, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,4.576832418139901,0.0209905193788518,34.0,1.0,546.5840395905757,546.5840395905757,dB,hcp,29.5930679345,124.3692186249,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",PBE,4.576832418139901,0.0209905193788518,36.0,1.0,0.43197479946478085,0.43197479946478085,dB,hcp,4.5966031808,0.0173555258,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,4.576832418139901,0.0209905193788518,56.0,1.0,0.24309768948500388,0.24309768948500388,dB,hcp,4.587958592,0.0169642649,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,4.576832418139901,0.0209905193788518,4.0,1.0,2.040391222754319,-2.040391222754319,dB,hcp,4.4834471312,0.043744089000000014,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,4.576832418139901,0.0209905193788518,16.0,1.0,0.3627968722273502,0.3627968722273502,dB,hcp,4.593437023,0.0165756107,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",PBE,4.576832418139901,0.0209905193788518,32.0,1.0,0.340072033190691,0.340072033190691,dB,hcp,4.5923969452,0.0162920633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,4.576832418139901,0.0209905193788518,30.0,1.0,0.2365221701627977,0.2365221701627977,dB,hcp,4.5876576415,0.0175204133,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,4.576832418139901,0.0209905193788518,18.0,1.0,0.29035527513370807,0.29035527513370807,dB,hcp,4.5901214925,0.0157181224,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,4.576832418139901,0.0209905193788518,56.0,1.0,0.24309768948500388,0.24309768948500388,dB,hcp,4.587958592,0.0169642649,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,4.576832418139901,0.0209905193788518,54.0,1.0,546.3503330699348,546.3503330699348,dB,hcp,29.5823715787,124.28180763430001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,4.576832418139901,0.0209905193788518,22.0,1.0,0.16224845442598138,0.16224845442598138,dB,hcp,4.584258258,0.015027207,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,4.576832418139901,0.0209905193788518,60.0,1.0,0.2306098234723727,0.2306098234723727,dB,hcp,4.5873870433,0.016883240900000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,4.576832418139901,0.0209905193788518,46.0,1.0,0.1744886557009673,0.1744886557009673,dB,hcp,4.584818471499999,0.0162707377,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,29.8665214216717,0.000194864701138856,62.0,1.0,0.0014883153683103048,0.0014883153683103048,v0,hcp,29.866965929699997,0.0001672493,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +1,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,29.8665214216717,0.000194864701138856,8.0,1.0,0.03651904242314438,0.03651904242314438,v0,hcp,29.877428389299997,0.0001812844,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,29.8665214216717,0.000194864701138856,36.0,1.0,0.00017474391330667455,0.00017474391330667455,v0,hcp,29.8665736116,0.0001817087,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,29.8665214216717,0.000194864701138856,38.0,1.0,0.0002492474006282807,0.0002492474006282807,v0,hcp,29.8665958632,0.00014918800000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,29.8665214216717,0.000194864701138856,12.0,1.0,0.0031661369543091473,-0.0031661369543091473,v0,hcp,29.8655758067,0.00020738490000000005,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,29.8665214216717,0.000194864701138856,30.0,1.0,0.000815252385317365,0.000815252385317365,v0,hcp,29.8667649092,0.00015970830000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815564, -24.835773, -24.848014, -24.852722, -24.850302, -24.841145, -24.825622, -24.804077, -24.776838, -24.744217]",PBE,29.8665214216717,0.000194864701138856,58.0,1.0,0.0006035254964990529,-0.0006035254964990529,v0,hcp,29.866341169600002,0.0001474821,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.783374, -24.812235, -24.832723, -24.845218, -24.850195, -24.848001, -24.839086, -24.823794, -24.802467, -24.775422, -24.743008]",PBE,29.8665214216717,0.000194864701138856,8.0,1.0,0.03499769852914588,0.03499769852914588,v0,hcp,29.8769740168,0.0002271555,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +8,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786887, -24.815519, -24.835733, -24.84798, -24.852689, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,29.8665214216717,0.000194864701138856,34.0,1.0,0.0005037355022790765,-0.0005037355022790765,v0,hcp,29.866370973400002,0.0001579583,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825451, -24.803906, -24.776665, -24.744039]",PBE,29.8665214216717,0.000194864701138856,26.0,1.0,0.000496555221831456,-0.000496555221831456,v0,hcp,29.8663731179,0.0001457944,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -98315.79, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,29.8665214216717,0.000194864701138856,50.0,1.0,0.8642578544182298,0.8642578544182298,v0,hcp,30.1246451789,1.0681860455,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78706, -24.81579, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,29.8665214216717,0.000194864701138856,14.0,1.0,0.008416561784385405,0.008416561784385405,v0,hcp,29.8690351559,0.0001468875,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78692, -24.81555, -24.835764, -24.84801, -24.852721, -24.850305, -24.84115, -24.825628, -24.804085, -24.776849, -24.74423]",PBE,29.8665214216717,0.000194864701138856,64.0,1.0,0.00016256152169324715,-0.00016256152169324715,v0,hcp,29.8664728702,0.0001541458,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786936, -24.815562, -24.835773, -24.848017, -24.852727, -24.85031, -24.841154, -24.825631, -24.804086, -24.776849, -24.744229]",PBE,29.8665214216717,0.000194864701138856,42.0,1.0,0.00033612977649315483,-0.00033612977649315483,v0,hcp,29.866421031399998,0.00015726380000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787019, -24.815644, -24.835853, -460.37758, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,29.8665214216717,0.000194864701138856,28.0,1.0,1.544625463938202,-1.544625463938202,v0,hcp,29.4051955266,0.9365223633,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786743, -24.815375, -24.835604, -24.847859, -24.852585, -24.850179, -24.841033, -24.825523, -24.803989, -24.776762, -24.744151]",PBE,29.8665214216717,0.000194864701138856,24.0,1.0,0.001506150722915386,0.001506150722915386,v0,hcp,29.8669712565,0.00016966760000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78249, -24.810848, -24.830851, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,29.8665214216717,0.000194864701138856,10.0,1.0,0.018617132183538002,-0.018617132183538002,v0,hcp,29.8609611319,0.0001891696,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,29.8665214216717,0.000194864701138856,60.0,1.0,0.00031814375151191824,-0.00031814375151191824,v0,hcp,29.866426403200002,0.0001538687,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -24.852747, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,29.8665214216717,0.000194864701138856,54.0,1.0,5.747964246602106e-07,-5.747964246602106e-07,v0,hcp,29.86652125,0.00014778709999999998,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -24.77712, -24.744474]",PBE,29.8665214216717,0.000194864701138856,20.0,1.0,0.003095027903145192,-0.003095027903145192,v0,hcp,29.8655970445,0.00015493889999999998,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786777999999998, -24.815399, -24.8356, -24.847841, -24.852549, -24.850131, -24.840974, -24.825452, -24.803906, -24.776665, -24.744039]",PBE,29.8665214216717,0.000194864701138856,26.0,1.0,0.0004817945473799071,-0.0004817945473799071,v0,hcp,29.866377526399997,0.0001452724,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.756315999999998, -24.792053160000002, -24.81911939, -24.8379818, -24.84908285, -24.85283345, -24.84963169, -24.83985045, -24.82384368, -24.80195927, -24.77450594]",PBE,29.8665214216717,0.000194864701138856,62.0,1.0,0.0014883153683103048,0.0014883153683103048,v0,hcp,29.866965929699997,0.0001672493,"[28.3649548565, 28.6635333287, 28.9621118009, 29.2606902731, 29.5592687452, 29.8578472174, 30.1564256896, 30.4550041617, 30.7535826339, 31.0521611061, 31.3507395783]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,29.8665214216717,0.000194864701138856,48.0,1.0,0.00032896910528853524,0.00032896910528853524,v0,hcp,29.8666196733,0.0001518461,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,29.8665214216717,0.000194864701138856,40.0,1.0,0.0002459230877904996,-0.0002459230877904996,v0,hcp,29.866447973000003,0.0001484379,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,29.8665214216717,0.000194864701138856,6.0,1.0,0.07209932025319704,0.07209932025319704,v0,hcp,29.8880549806,0.0002516123,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78726, -24.816563, -24.837394, -24.850255, -24.855505, -24.853563, -24.84486, -24.829762, -24.808616, -24.781765, -24.749479]",PBE,29.8665214216717,0.000194864701138856,6.0,1.0,0.07209932025319704,0.07209932025319704,v0,hcp,29.8880549806,0.0002516123,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787019, -24.815644, -24.835853, -24.848093, -24.852796, -24.850371, -24.841215, -24.825695, -24.804153, -24.776915, -24.744295]",PBE,29.8665214216717,0.000194864701138856,28.0,1.0,0.0008616436044459877,-0.0008616436044459877,v0,hcp,29.8662640787,0.00013238910000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75565113, -24.79098048, -24.81763667, -24.83615145, -24.84690874, -24.85032756, -24.84678617, -24.836714399999998, -24.82041017, -24.79822518, -24.77046764]",PBE,29.8665214216717,0.000194864701138856,8.0,1.0,0.03651904242314438,0.03651904242314438,v0,hcp,29.877428389299997,0.0001812844,"[28.3881232932, 28.6869456436, 28.9857679941, 29.2845903446, 29.583412695, 29.8822350455, 30.1810573959, 30.4798797464, 30.7787020968, 31.0775244473, 31.3763467977]" +28,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78691, -24.815546, -24.835763, -24.848013, -24.852726, -24.850313, -24.841161, -24.825641, -24.804098, -24.776863, -24.744243]",PBE,29.8665214216717,0.000194864701138856,38.0,1.0,0.0002492474006282807,0.0002492474006282807,v0,hcp,29.8665958632,0.00014918800000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +29,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.75651667, -24.79220416, -24.81923025, -24.83805416, -24.84911211, -24.85282341, -24.84958236, -24.83976968, -24.82373064, -24.80181426, -24.77433984]",PBE,29.8665214216717,0.000194864701138856,36.0,1.0,0.00017474391330667455,0.00017474391330667455,v0,hcp,29.8665736116,0.0001817087,"[28.3661379472, 28.664728873, 28.9633197987, 29.2619107245, 29.5605016502, 29.859092576000002, 30.1576835018, 30.4562744275, 30.7548653533, 31.053456279, 31.3520472048]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78706, -24.815789, -24.836085, -24.848406, -24.853179, -24.850826, -24.841719, -24.82624, -24.80473, -24.777528, -24.744931]",PBE,29.8665214216717,0.000194864701138856,14.0,1.0,0.008427203465619482,0.008427203465619482,v0,hcp,29.869038334200006,0.0001483864,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786921, -24.815549, -24.835759, -24.848003, -24.852713, -24.850298, -24.841142, -24.825619, -24.804075, -24.776837, -24.744215]",PBE,29.8665214216717,0.000194864701138856,50.0,1.0,0.00024054415539505423,-0.00024054415539505423,v0,hcp,29.8664495795,0.0001508346,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78249, -24.810848, -265215.48, -24.842927, -24.847485, -24.844941, -24.835702, -24.820095, -24.79848, -24.771197, -24.738534]",PBE,29.8665214216717,0.000194864701138856,10.0,1.0,2.5830252970535463,-2.5830252970535463,v0,hcp,29.095061618000003,0.9609107864,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +33,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786927, -24.815556, -24.835767, -2449.5104, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,29.8665214216717,0.000194864701138856,44.0,1.0,1.5448483489506806,-1.5448483489506806,v0,hcp,29.405128958600002,0.9370118763,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,29.8665214216717,0.000194864701138856,46.0,1.0,2.500716971164395e-05,-2.500716971164395e-05,v0,hcp,29.8665139529,0.0001482954,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,29.8665214216717,0.000194864701138856,52.0,1.0,0.0005220499886765255,-0.0005220499886765255,v0,hcp,29.8663655035,0.00014995040000000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787834, -24.81641, -24.836622, -24.848852, -24.853534, -24.851089, -24.841912999999998, -24.826377, -24.804817, -24.777555, -24.744917]",PBE,29.8665214216717,0.000194864701138856,12.0,1.0,0.0031661369543091473,-0.0031661369543091473,v0,hcp,29.8655758067,0.00020738490000000005,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +37,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840648, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,29.8665214216717,0.000194864701138856,16.0,1.0,0.0020453949747777996,0.0020453949747777996,v0,hcp,29.86713231,0.0001503326,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786902, -24.815534, -24.835749, -24.847995, -24.852706, -24.850289, -24.84113, -24.825611, -24.80407, -24.776835, -24.744215]",PBE,29.8665214216717,0.000194864701138856,40.0,1.0,0.0002459230877904996,-0.0002459230877904996,v0,hcp,29.866447973000003,0.0001484379,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +39,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786927, -24.815556, -24.835767, -24.848009, -24.852716, -24.850296, -24.841136, -24.825611, -24.804064, -24.776825, -24.744204]",PBE,29.8665214216717,0.000194864701138856,44.0,1.0,0.0007776170797503854,-0.0007776170797503854,v0,hcp,29.866289174499997,0.00015264370000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,29.8665214216717,0.000194864701138856,22.0,1.0,0.002160740513392587,0.002160740513392587,v0,hcp,29.867166759699998,0.0001370098,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +41,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786898, -24.815528, -24.835742, -24.84799, -24.852704, -24.850292, -24.84114, -24.825623, -24.804084, -24.776851, -24.744235]",PBE,29.8665214216717,0.000194864701138856,48.0,1.0,0.00032896910528853524,0.00032896910528853524,v0,hcp,29.8666196733,0.0001518461,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,29.8665214216717,0.000194864701138856,4.0,1.0,0.2170603528158446,-0.2170603528158446,v0,hcp,29.8016930449,0.0003832241,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,29.8665214216717,0.000194864701138856,18.0,1.0,0.00195544155764011,-0.00195544155764011,v0,hcp,29.865937399299998,0.00014321790000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786935, -24.815566, -24.835777, -24.848022, -24.85273, -24.850312, -24.841153, -24.825629, -24.804083, -24.776843, -24.74422]",PBE,29.8665214216717,0.000194864701138856,52.0,1.0,0.0005220499886765255,-0.0005220499886765255,v0,hcp,29.8663655035,0.00014995040000000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +45,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786934, -24.815565, -24.835777, -24.848022, -24.852733, -24.850317, -24.84116, -24.825638, -24.804094, -24.776856, -24.744235]",PBE,29.8665214216717,0.000194864701138856,68.0,1.0,0.00024432832558744403,-0.00024432832558744403,v0,hcp,29.866448449299998,0.0001507952,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.787368999999998, -24.815996, -24.836194, -24.848423, -24.853118, -24.850683, -24.841502, -24.825954, -24.804385, -7272488.9, -24.744474]",PBE,29.8665214216717,0.000194864701138856,20.0,1.0,1.7373471350941718,-1.7373471350941718,v0,hcp,29.3476362674,0.9975593637000001,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +47,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786887, -24.81552, -24.835724, -24.84798, -862711.65, -24.850271, -24.841111, -24.825586, -24.804042, -24.776804, -24.744183]",PBE,29.8665214216717,0.000194864701138856,34.0,1.0,0.39654929310166925,-0.39654929310166925,v0,hcp,29.7480859421,1.0242863906,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786958, -24.815579, -24.835785, -24.848022, -24.852724, -24.850298, -24.841135, -24.825608, -24.804061, -24.776825, -24.744208]",PBE,29.8665214216717,0.000194864701138856,36.0,1.0,0.0014807960574089111,-0.0014807960574089111,v0,hcp,29.8660791594,0.00015815030000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,29.8665214216717,0.000194864701138856,56.0,1.0,7.102376605323203e-05,7.102376605323203e-05,v0,hcp,29.866542634,0.0001546193,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.839226, -24.865962, -24.884428, -24.895055, -24.898151, -24.894258999999998, -24.883639, -24.866821, -24.843969, -24.81554, -24.781572]",PBE,29.8665214216717,0.000194864701138856,4.0,1.0,0.2170603528158446,-0.2170603528158446,v0,hcp,29.8016930449,0.0003832241,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.78635, -24.814981, -24.835202, -24.847455, -24.852176, -24.849778, -24.840649, -24.825150999999998, -24.803636, -24.77644, -24.74386]",PBE,29.8665214216717,0.000194864701138856,16.0,1.0,0.0020562452507638185,0.0020562452507638185,v0,hcp,29.8671355506,0.00015113030000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786793, -24.815422, -24.835633, -24.847875, -24.852585, -24.850168, -24.841012, -24.825492, -24.803953, -24.776723, -24.744109]",PBE,29.8665214216717,0.000194864701138856,32.0,1.0,0.00037503487640275863,-0.00037503487640275863,v0,hcp,29.8664094118,0.0001484821,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786912, -24.815555, -24.835781, -24.84804, -24.852757, -24.850348, -24.841197, -24.825678, -24.804135, -24.776901, -24.74428]",PBE,29.8665214216717,0.000194864701138856,30.0,1.0,0.000815252385317365,0.000815252385317365,v0,hcp,29.8667649092,0.00015970830000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786117, -24.814739, -24.834933, -24.847165, -24.851868, -24.849433, -24.840269, -24.82474, -24.803188, -24.775942, -24.743317]",PBE,29.8665214216717,0.000194864701138856,18.0,1.0,0.00195544155764011,-0.00195544155764011,v0,hcp,29.865937399299998,0.00014321790000000002,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786908, -24.81554, -24.835755, -24.848004, -24.852717, -24.850302, -24.841148, -24.825627, -24.804088, -24.776854, -24.744236]",PBE,29.8665214216717,0.000194864701138856,56.0,1.0,7.102376605323203e-05,7.102376605323203e-05,v0,hcp,29.866542634,0.0001546193,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786933, -24.815569, -24.835786, -24.848034, -404.22245, -24.850331, -24.841176, -24.825655, -24.804111, -24.776873, -24.744251]",PBE,29.8665214216717,0.000194864701138856,54.0,1.0,0.3964101875144737,-0.3964101875144737,v0,hcp,29.7481274881,1.023565363,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Re,"[-24.786832, -24.815488, -24.83572, -24.847983, -24.852712, -24.85031, -24.841171, -24.825661, -24.804129, -24.776903, -24.744286]",PBE,29.8665214216717,0.000194864701138856,22.0,1.0,0.002160740513392587,0.002160740513392587,v0,hcp,29.867166759699998,0.0001370098,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +58,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815569, -24.835783, -24.848029, -24.852739, -24.850322, -24.841165, -24.825641, -24.804096, -24.776857, -24.744235]",PBE,29.8665214216717,0.000194864701138856,60.0,1.0,0.00031814375151191824,-0.00031814375151191824,v0,hcp,29.866426403200002,0.0001538687,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Re,"[-24.786938, -24.815571, -24.835785, -24.848032, -24.852744, -24.850329, -24.841174, -24.825653, -24.804109, -24.776871, -24.744249]",PBE,29.8665214216717,0.000194864701138856,46.0,1.0,2.500716971164395e-05,-2.500716971164395e-05,v0,hcp,29.8665139529,0.0001482954,"[28.6159297967, 28.9171501103, 29.218370424, 29.5195907376, 29.8208110513, 30.1220313649, 30.4232516786, 30.7244719922, 31.0256923059, 31.3269126195, 31.6281329332]" +0,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Rh,"[-7.24408126, -7.25588436, -7.26479656, -7.27099289, -7.27463137, -7.27587315, -7.27486101, -7.2717335, -7.26661706, -7.25963682, -7.25089848]",PBE,257.48841843227405,0.00577279166380214,26.0,1.0,0.07083503882797997,-0.07083503882797997,B,FindHistory,257.3060264111,0.0418145586,"[13.2771186569, 13.4168778006, 13.5566369444, 13.6963960881, 13.8361552319, 13.9759143757, 14.1156735194, 14.2554326632, 14.3951918069, 14.5349509507, 14.6747100944]" +1,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Rh,"[-7.24440781, -7.25618874, -7.26508074, -7.27125604, -7.27487896, -7.27610626, -7.2750749, -7.2719273300000005, -7.26679107, -7.2597836000000004, -7.25102224]",PBE,257.48841843227405,0.00577279166380214,64.0,1.0,0.0033569630924294635,-0.0033569630924294635,B,FindHistory,257.4797746411,0.0435756595,"[13.2780202393, 13.4177888734, 13.5575575075, 13.6973261416, 13.8370947757, 13.9768634098, 14.1166320438, 14.2564006779, 14.396169312, 14.5359379461, 14.6757065802]" +2,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Rh,"[-7.24485068, -7.25666575, -7.26559195, -7.27180181, -7.27546075, -7.27671111, -7.27570513, -7.27259218, -7.2674749, -7.26048804, -7.25175419]",PBE,257.48841843227405,0.00577279166380214,16.0,1.0,0.0038073521075862324,0.0038073521075862324,B,FindHistory,257.498221923,0.0589249057,"[13.2779548167, 13.4177227622, 13.5574907076, 13.697258653, 13.8370265985, 13.9767945439, 14.1165624894, 14.2563304348, 14.3960983802, 14.5358663257, 14.6756342711]" +3,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Rh,"[-7.24437585, -7.25615553, -7.26504947, -7.27122501, -7.27484791, -7.27607463, -7.27504267, -7.27189461, -7.2667573, -7.25975015, -7.25099221]",PBE,257.48841843227405,0.00577279166380214,56.0,1.0,0.00438943931648721,-0.00438943931648721,B,FindHistory,257.4771161344,0.0512930527,"[13.2779509383, 13.4177188429, 13.5574867475, 13.6972546521, 13.837022556800001, 13.9767904614, 14.116558366, 14.2563262706, 14.3960941752, 14.5358620798, 14.6756299844]" +4,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Rh,"[-7.21223902, -7.22387638, -7.23263701, -7.23871955, -7.24226808, -7.24343915, -7.24234127, -7.23915583, -7.23399062, -7.22694125, -7.21818458]",PBE,257.48841843227405,0.00577279166380214,8.0,1.0,0.8043893796407081,-0.8043893796407081,B,FindHistory,255.4172089406,0.1039395587,"[13.3253888504, 13.4656561014, 13.6059233525, 13.7461906036, 13.8864578546, 14.0267251057, 14.1669923567, 14.3072596078, 14.4475268588, 14.5877941099, 14.728061361]" +5,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Rh,"[-7.24437331, -7.2561574, -7.26505559, -7.27123448, -7.27486163, -7.27608864, -7.27506727, -7.27192183, -7.26678977, -7.25978933, -7.25103195]",PBE,257.48841843227405,0.00577279166380214,36.0,1.0,0.017782772659374956,-0.017782772659374956,B,FindHistory,257.4426298522,0.0422269476,"[13.2776054185, 13.4173696861, 13.5571339537, 13.6968982212, 13.8366624888, 13.9764267564, 14.1161910239, 14.2559552915, 14.3957195591, 14.5354838266, 14.6752480942]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Rh,"[-7.24422127, -7.25601712, -7.2649222, -7.27110722, -7.27473749, -7.27597013, -7.27494813, -7.27180642, -7.26667115, -7.25967045, -7.25090159]",PBE,257.48841843227405,0.00577279166380214,28.0,1.0,0.0504205563948957,0.0504205563948957,B,FindHistory,257.6182455255,0.030441958,"[13.2777920633, 13.4175582955, 13.5573245278, 13.69709076, 13.8368569923, 13.9766232245, 14.1163894568, 14.256155689, 14.3959219212, 14.5356881535, 14.6754543857]" +7,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Rh,"[-7.24418412, -7.25599578, -7.26491934, -7.27112411, -7.2747867, -7.27604547, -7.27504781, -7.27193592, -7.26682651, -7.25984385, -7.25110904]",PBE,257.48841843227405,0.00577279166380214,22.0,1.0,0.03913119665245746,-0.03913119665245746,B,FindHistory,257.3876601329,0.0452476257,"[13.2779722169, 13.4177403455, 13.5575084741, 13.6972766027, 13.8370447313, 13.9768128599, 14.1165809885, 14.2563491171, 14.3961172457, 14.5358853743, 14.6756535029]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Rh,"[-7.24444278, -7.25623016, -7.26512666, -7.27130584, -7.27493341, -7.27615871, -7.2751337, -7.27198692, -7.26684732, -7.25984032, -7.25107818]",PBE,257.48841843227405,0.00577279166380214,42.0,1.0,0.030555494847101943,0.030555494847101943,B,FindHistory,257.5670952927,0.0439783014,"[13.2777413238, 13.4175070219, 13.55727272, 13.6970384182, 13.8368041163, 13.9765698145, 14.1163355126, 14.2561012108, 14.3958669089, 14.5356326071, 14.6753983052]" +9,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Rh,"[-7.24439904, -7.25618298, -7.26507732, -7.27125374, -7.2748789, -7.27610448, -7.27507821, -7.27192927, -7.26679154, -7.25978676, -7.25102448]",PBE,257.48841843227405,0.00577279166380214,52.0,1.0,0.007110230214401864,0.007110230214401864,B,FindHistory,257.5067264516,0.043185530900000005,"[13.2779275032, 13.4176951611, 13.557462819, 13.697230477, 13.8369981349, 13.9767657928, 14.1165334507, 14.2563011087, 14.3960687666, 14.5358364245, 14.6756040825]" +10,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Rh,"[-7.24422466, -7.25601376, -7.26491151, -7.27109509, -7.27472838, -7.27596128, -7.27493982, -7.27179667, -7.26666781, -7.25966686, -7.25091146]",PBE,257.48841843227405,0.00577279166380214,38.0,1.0,0.008014658756199174,-0.008014658756199174,B,FindHistory,257.46778161419996,0.0470065458,"[13.2778389649, 13.4176056909, 13.5573724168, 13.6971391428, 13.8369058687, 13.9766725946, 14.1164393206, 14.256206046500001, 14.3959727725, 14.5357394984, 14.6755062244]" +11,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Rh,"[-7.24440342, -7.25618647, -7.26507927, -7.2712548, -7.27488001, -7.2761039499999995, -7.27507736, -7.27192762, -7.26679244, -7.25978485, -7.25102428]",PBE,257.48841843227405,0.00577279166380214,60.0,1.0,0.0002914529820795212,-0.0002914529820795212,B,FindHistory,257.4876679746,0.0427611321,"[13.2779991888, 13.4177676013, 13.5575360139, 13.6973044264, 13.8370728389, 13.9768412514, 14.1166096639, 14.2563780764, 14.3961464889, 14.5359149015, 14.675683314]" +12,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Rh,"[-7.24435781, -7.25614228, -7.26503948, -7.27121822, -7.27484717, -7.27607426, -7.2750483599999995, -7.27190654, -7.26676847, -7.25976498, -7.2510012]",PBE,257.48841843227405,0.00577279166380214,40.0,1.0,0.011441340703909895,0.011441340703909895,B,FindHistory,257.5178785595,0.0401201422,"[13.277975323, 13.4177434843, 13.5575116456, 13.6972798069, 13.8370479682, 13.9768161294, 14.1165842907, 14.256352452, 14.3961206133, 14.5358887746, 14.6756569359]" +13,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Rh,"[-7.24439769, -7.25618137, -7.26507239, -7.27124641, -7.27487066, -7.27609382, -7.27506721, -7.27191752, -7.26678305, -7.2597752700000004, -7.25101359]",PBE,257.48841843227405,0.00577279166380214,58.0,1.0,0.006282843971215208,-0.006282843971215208,B,FindHistory,257.4722408367,0.0370323871,"[13.277981755, 13.417749984, 13.557518213, 13.697286442, 13.837054671, 13.9768229, 14.116591129, 14.256359358, 14.396127587, 14.535895816, 14.675664045]" +14,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Rh,"[-7.24429916, -7.25609646, -7.2649996, -7.27117022, -7.27479207, -7.27602464, -7.27500495, -7.27186254, -7.26673235, -7.25973092, -7.25097432]",PBE,257.48841843227405,0.00577279166380214,30.0,1.0,0.017399048371508522,-0.017399048371508522,B,FindHistory,257.4436178978,0.0272813119,"[13.2770112502, 13.4167692633, 13.5565272765, 13.6962852897, 13.8360433028, 13.975801316, 14.1155593291, 14.2553173423, 14.3950753555, 14.5348333686, 14.6745913818]" +15,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Rh,"[-7.2567698, -7.26855847, -7.27749153, -7.2836716599999995, -7.2873118, -7.28853863, -7.28750137, -7.2843448, -7.27919831, -7.27217019, -7.26337735]",PBE,257.48841843227405,0.00577279166380214,10.0,1.0,0.3129157504759243,0.3129157504759243,B,FindHistory,258.2941402492,0.07582811290000001,"[13.2721131096, 13.4118195634, 13.5515260172, 13.691232471, 13.8309389248, 13.9706453786, 14.1103518324, 14.2500582861, 14.3897647399, 14.529471193700001, 14.6691776475]" +16,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Rh,"[-7.24435033, -7.2561317, -7.26502456, -7.27120009, -7.27482744, -7.27605422, -7.27502607, -7.27188024, -7.2667469, -7.25974429, -7.25098764]",PBE,257.48841843227405,0.00577279166380214,46.0,1.0,0.027813254906796005,-0.027813254906796005,B,FindHistory,257.4168025221,0.0469666907,"[13.2779728275, 13.4177409625, 13.5575090975, 13.6972772325, 13.8370453676, 13.9768135026, 14.1165816376, 14.2563497726, 14.3961179077, 14.5358860427, 14.6756541777]" +17,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Rh,"[-7.2380667, -7.24990454, -7.25885601, -7.26507917, -7.26873946, -7.26999475, -7.2690075499999995, -7.2658836, -7.2607682, -7.25378072, -7.2450274199999996]",PBE,257.48841843227405,0.00577279166380214,12.0,1.0,0.15838104812982842,0.15838104812982842,B,FindHistory,257.8962312882,0.041664037200000004,"[13.276486507, 13.4162389966, 13.5559914861, 13.6957439757, 13.8354964652, 13.9752489548, 14.1150014443, 14.2547539339, 14.3945064234, 14.534258913, 14.6740114025]" +18,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Rh,"[-7.24438961, -7.2561697, -7.26506174, -7.27123646, -7.27486361, -7.27608776, -7.27505606, -7.27190888, -7.26677039, -7.25976527, -7.25100256]",PBE,257.48841843227405,0.00577279166380214,62.0,1.0,0.0004208803380677543,0.0004208803380677543,B,FindHistory,257.4895021504,0.0487768003,"[13.2779911875, 13.4177595157, 13.557527843999999, 13.6972961723, 13.8370645006, 13.9768328289, 14.1166011572, 14.2563694855, 14.3961378138, 14.5359061421, 14.6756744703]" +19,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Rh,"[-7.24441595, -7.2561978, -7.26509101, -7.27126684, -7.27489415, -7.27611765, -7.2750877, -7.27193987, -7.26680155, -7.25979317, -7.25103111]",PBE,257.48841843227405,0.00577279166380214,54.0,1.0,0.013842437513492832,0.013842437513492832,B,FindHistory,257.5240611057,0.0476507247,"[13.2779392137, 13.4177069949, 13.5574747761, 13.697242557300001, 13.8370103385, 13.9767781197, 14.1165459009, 14.2563136821, 14.3960814633, 14.5358492445, 14.6756170257]" +20,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Rh,"[-7.2403981, -7.25219749, -7.26111041, -7.26731252, -7.27095178, -7.27220935, -7.27121631, -7.26809494, -7.26298028, -7.25600615, -7.24728787]",PBE,257.48841843227405,0.00577279166380214,14.0,1.0,0.16829154247496964,-0.16829154247496964,B,FindHistory,257.05508720119997,0.0692394238,"[13.2818103739, 13.4216189041, 13.5614274344, 13.7012359646, 13.8410444949, 13.9808530251, 14.1206615554, 14.2604700856, 14.4002786159, 14.5400871461, 14.6798956764]" +21,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Rh,"[-7.24432209, -7.25610434, -7.2649984100000005, -7.27117579, -7.27480449, -7.27603363, -7.27500729, -7.27186478, -7.26673271, -7.25972969, -7.25097456]",PBE,257.48841843227405,0.00577279166380214,34.0,1.0,0.028549606472255826,-0.028549606472255826,B,FindHistory,257.4149065021,0.045352627400000005,"[13.2778666063, 13.4176336232, 13.5574006401, 13.697167657, 13.836934674, 13.9767016909, 14.1164687078, 14.2562357247, 14.3960027416, 14.5357697585, 14.6755367754]" +22,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Rh,"[-7.24432623, -7.25611517, -7.26500794, -7.27118973, -7.27481691, -7.27604297, -7.2750168, -7.2718731, -7.26673535, -7.25973313, -7.25097275]",PBE,257.48841843227405,0.00577279166380214,50.0,1.0,0.00436421493997605,0.00436421493997605,B,FindHistory,257.4996557803,0.0427665319,"[13.277943670700001, 13.4177114988, 13.5574793269, 13.6972471551, 13.8370149832, 13.9767828113, 14.1165506394, 14.2563184675, 14.3960862956, 14.5358541237, 14.6756219518]" +23,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Rh,"[-7.13697945, -7.1486806, -7.15750501, -7.1636633100000005, -7.16724865, -7.16854539, -7.16755458, -7.16445957, -7.15944184, -7.15254496, -7.14390006]",PBE,257.48841843227405,0.00577279166380214,6.0,1.0,1.849993451502347,-1.849993451502347,B,FindHistory,252.7248995529,0.12137523630000001,"[13.3703465195, 13.5110870092, 13.6518274989, 13.7925679886, 13.9333084783, 14.0740489679, 14.2147894576, 14.3555299473, 14.496270437, 14.6370109267, 14.7777514163]" +24,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Rh,"[-7.24443313, -7.25621773, -7.26510987, -7.27128739, -7.2749141, -7.27614109, -7.27511357, -7.27196546, -7.26683174, -7.25982534, -7.25106445]",PBE,257.48841843227405,0.00577279166380214,48.0,1.0,0.00065528924998933,0.00065528924998933,B,FindHistory,257.4901057262,0.042986604500000004,"[13.2778556853, 13.4176225872, 13.5573894892, 13.6971563911, 13.8369232931, 13.976690195, 14.116457097, 14.256223999, 14.3959909009, 14.5357578029, 14.6755247048]" +25,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Rh,"[-7.24440878, -7.25619094, -7.26508191, -7.27125621, -7.27487966, -7.2761039, -7.27507409, -7.27192382, -7.26678805, -7.25978044, -7.25101802]",PBE,257.48841843227405,0.00577279166380214,70.0,1.0,0.0019549618210670965,-0.0019549618210670965,B,FindHistory,257.483384632,0.0413584792,"[13.2780526949, 13.4178216706, 13.5575906464, 13.6973596221, 13.8371285978, 13.9768975736, 14.1166665493, 14.2564355251, 14.3962045008, 14.5359734765, 14.6757424523]" +26,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Rh,"[-7.2428478, -7.25465705, -7.26358034, -7.26978022, -7.27343632, -7.27467981, -7.27367205, -7.27054558, -7.26542086, -7.25843425, -7.24969675]",PBE,257.48841843227405,0.00577279166380214,18.0,1.0,0.024254464999327093,0.024254464999327093,B,FindHistory,257.5508708706,0.0672342859,"[13.2763946916, 13.4161462147, 13.5558977377, 13.6956492608, 13.8354007839, 13.975152307, 14.11490383, 14.2546553531, 14.3944068762, 14.5341583992, 14.6739099223]" +27,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Rh,"[-7.24439838, -7.25617809, -7.26506968, -7.27124381, -7.27486555, -7.27609183, -7.27505881, -7.27190984, -7.26677249, -7.25976529, -7.2510018]",PBE,257.48841843227405,0.00577279166380214,68.0,1.0,0.0007094943474187851,-0.0007094943474187851,B,FindHistory,257.4865915665,0.0436780412,"[13.2780217623, 13.4177904124, 13.5575590626, 13.6973277127, 13.8370963628, 13.976865013, 14.1166336631, 14.2564023132, 14.3961709634, 14.5359396135, 14.6757082636]" +28,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Rh,"[-7.24431896, -7.25610662, -7.26499995, -7.27117918, -7.27480735, -7.27603625, -7.27500934, -7.27186166, -7.26672896, -7.25972323, -7.25096506]",PBE,257.48841843227405,0.00577279166380214,44.0,1.0,0.0022256928140061524,0.0022256928140061524,B,FindHistory,257.4941493335,0.0459890826,"[13.2778555851, 13.417622486, 13.5573893869, 13.6971562877, 13.8369231886, 13.9766900895, 14.1164569904, 14.2562238913, 14.3959907922, 14.5357576931, 14.675524594]" +29,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Rh,"[-7.24393453, -7.25573414, -7.26464332, -7.2708369600000005, -7.27447535, -7.27570877, -7.27469105, -7.27154462, -7.26641649, -7.25941138, -7.25065284]",PBE,257.48841843227405,0.00577279166380214,24.0,1.0,0.07551659795412444,0.07551659795412444,B,FindHistory,257.682864926,0.053524564600000005,"[13.2770214239, 13.4167795441, 13.5565376644, 13.6962957846, 13.8360539049, 13.9758120251, 14.1155701454, 14.2553282656, 14.395086385900001, 14.5348445062, 14.6746026264]" +30,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Rh,"[-7.24422673, -7.25601982, -7.2649251, -7.27111074, -7.27474199, -7.27597585, -7.27495655, -7.27181862, -7.26668701, -7.25968924, -7.25093579]",PBE,257.48841843227405,0.00577279166380214,32.0,1.0,0.0003070622868237536,0.0003070622868237536,B,FindHistory,257.4892090821,0.0415770338,"[13.2773869592, 13.4171489272, 13.5569108952, 13.6966728632, 13.8364348312, 13.9761967991, 14.1159587671, 14.2557207351, 14.3954827031, 14.5352446711, 14.6750066391]" +31,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Rh,"[-7.24441124, -7.25619429, -7.26508641, -7.271261, -7.27488542, -7.27611114, -7.27508113, -7.27193159, -7.26679444, -7.25978535, -7.25102393]",PBE,257.48841843227405,0.00577279166380214,66.0,1.0,0.00807595784406072,0.00807595784406072,B,FindHistory,257.5092130884,0.044127911900000004,"[13.2780361874, 13.4178049894, 13.5575737914, 13.6973425933, 13.8371113953, 13.9768801973, 14.1166489993, 14.2564178012, 14.3961866032, 14.5359554052, 14.6757242071]" +32,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Rh,"[-7.24401279, -7.25580433, -7.26471148, -7.27090277, -7.27453635, -7.2757774600000005, -7.2747615, -7.27162886, -7.26650553, -7.25951357, -7.25076964]",PBE,257.48841843227405,0.00577279166380214,20.0,1.0,0.047962825212092663,-0.047962825212092663,B,FindHistory,257.3649197122,0.0491790021,"[13.277884688, 13.4176518952, 13.5574191025, 13.6971863097, 13.836953517, 13.9767207242, 14.1164879315, 14.2562551387, 14.3960223459, 14.5357895532, 14.6755567604]" +0,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Rh,"[-7.24408126, -7.25588436, -7.26479656, -7.27099289, -7.27463137, -7.27587315, -7.27486101, -7.2717335, -7.26661706, -7.25963682, -7.25089848]",PBE,-7.27610478386974,5.91636297037e-06,26.0,1.0,-0.003220259695266925,-0.003220259695266925,E0,FindHistory,-7.2758704744,2.3744e-06,"[13.2771186569, 13.4168778006, 13.5566369444, 13.6963960881, 13.8361552319, 13.9759143757, 14.1156735194, 14.2554326632, 14.3951918069, 14.5349509507, 14.6747100944]" +1,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Rh,"[-7.24440781, -7.25618874, -7.26508074, -7.27125604, -7.27487896, -7.27610626, -7.2750749, -7.2719273300000005, -7.26679107, -7.2597836000000004, -7.25102224]",PBE,-7.27610478386974,5.91636297037e-06,64.0,1.0,-5.152990302500107e-05,-5.152990302500107e-05,E0,FindHistory,-7.276101034500001,2.4789e-06,"[13.2780202393, 13.4177888734, 13.5575575075, 13.6973261416, 13.8370947757, 13.9768634098, 14.1166320438, 14.2564006779, 14.396169312, 14.5359379461, 14.6757065802]" +2,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Rh,"[-7.24485068, -7.25666575, -7.26559195, -7.27180181, -7.27546075, -7.27671111, -7.27570513, -7.27259218, -7.2674749, -7.26048804, -7.25175419]",PBE,-7.27610478386974,5.91636297037e-06,16.0,1.0,-0.008296330910433632,0.008296330910433632,E0,FindHistory,-7.2767084336,3.3432e-06,"[13.2779548167, 13.4177227622, 13.5574907076, 13.697258653, 13.8370265985, 13.9767945439, 14.1165624894, 14.2563304348, 14.3960983802, 14.5358663257, 14.6756342711]" +3,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Rh,"[-7.24437585, -7.25615553, -7.26504947, -7.27122501, -7.27484791, -7.27607463, -7.27504267, -7.27189461, -7.2667573, -7.25975015, -7.25099221]",PBE,-7.27610478386974,5.91636297037e-06,56.0,1.0,-0.0004935631193740667,-0.0004935631193740667,E0,FindHistory,-7.2760688717,2.9180000000000007e-06,"[13.2779509383, 13.4177188429, 13.5574867475, 13.6972546521, 13.837022556800001, 13.9767904614, 14.116558366, 14.2563262706, 14.3960941752, 14.5358620798, 14.6756299844]" +4,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Rh,"[-7.21223902, -7.22387638, -7.23263701, -7.23871955, -7.24226808, -7.24343915, -7.24234127, -7.23915583, -7.23399062, -7.22694125, -7.21818458]",PBE,-7.27610478386974,5.91636297037e-06,8.0,1.0,-0.4491903970678844,-0.4491903970678844,E0,FindHistory,-7.2434212199,5.9652e-06,"[13.3253888504, 13.4656561014, 13.6059233525, 13.7461906036, 13.8864578546, 14.0267251057, 14.1669923567, 14.3072596078, 14.4475268588, 14.5877941099, 14.728061361]" +5,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Rh,"[-7.24437331, -7.2561574, -7.26505559, -7.27123448, -7.27486163, -7.27608864, -7.27506727, -7.27192183, -7.26678977, -7.25978933, -7.25103195]",PBE,-7.27610478386974,5.91636297037e-06,36.0,1.0,-0.000243421037297259,-0.000243421037297259,E0,FindHistory,-7.2760870723,2.4012e-06,"[13.2776054185, 13.4173696861, 13.5571339537, 13.6968982212, 13.8366624888, 13.9764267564, 14.1161910239, 14.2559552915, 14.3957195591, 14.5354838266, 14.6752480942]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Rh,"[-7.24422127, -7.25601712, -7.2649222, -7.27110722, -7.27473749, -7.27597013, -7.27494813, -7.27180642, -7.26667115, -7.25967045, -7.25090159]",PBE,-7.27610478386974,5.91636297037e-06,28.0,1.0,-0.0018743060166274024,-0.0018743060166274024,E0,FindHistory,-7.2759684074,1.7307e-06,"[13.2777920633, 13.4175582955, 13.5573245278, 13.69709076, 13.8368569923, 13.9766232245, 14.1163894568, 14.256155689, 14.3959219212, 14.5356881535, 14.6754543857]" +7,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Rh,"[-7.24418412, -7.25599578, -7.26491934, -7.27112411, -7.2747867, -7.27604547, -7.27504781, -7.27193592, -7.26682651, -7.25984385, -7.25110904]",PBE,-7.27610478386974,5.91636297037e-06,22.0,1.0,-0.0008529449696457197,-0.0008529449696457197,E0,FindHistory,-7.2760427227,2.5663e-06,"[13.2779722169, 13.4177403455, 13.5575084741, 13.6972766027, 13.8370447313, 13.9768128599, 14.1165809885, 14.2563491171, 14.3961172457, 14.5358853743, 14.6756535029]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Rh,"[-7.24444278, -7.25623016, -7.26512666, -7.27130584, -7.27493341, -7.27615871, -7.2751337, -7.27198692, -7.26684732, -7.25984032, -7.25107818]",PBE,-7.27610478386974,5.91636297037e-06,42.0,1.0,-0.0007129203303207381,0.0007129203303207381,E0,FindHistory,-7.2761566567,2.5014e-06,"[13.2777413238, 13.4175070219, 13.55727272, 13.6970384182, 13.8368041163, 13.9765698145, 14.1163355126, 14.2561012108, 14.3958669089, 14.5356326071, 14.6753983052]" +9,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Rh,"[-7.24440342, -7.25618647, -7.26507927, -7.2712548, -7.27488001, -7.2761039499999995, -7.27507736, -7.27192762, -7.26679244, -7.25978485, -7.25102428]",PBE,-7.27610478386974,5.91636297037e-06,60.0,1.0,-4.868634860266666e-05,-4.868634860266666e-05,E0,FindHistory,-7.2761012414,2.4325e-06,"[13.2779991888, 13.4177676013, 13.5575360139, 13.6973044264, 13.8370728389, 13.9768412514, 14.1166096639, 14.2563780764, 14.3961464889, 14.5359149015, 14.675683314]" +10,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Rh,"[-7.24439904, -7.25618298, -7.26507732, -7.27125374, -7.2748789, -7.27610448, -7.27507821, -7.27192927, -7.26679154, -7.25978676, -7.25102448]",PBE,-7.27610478386974,5.91636297037e-06,52.0,1.0,-4.589227119470492e-05,-4.589227119470492e-05,E0,FindHistory,-7.2761014447,2.4565e-06,"[13.2779275032, 13.4176951611, 13.557462819, 13.697230477, 13.8369981349, 13.9767657928, 14.1165334507, 14.2563011087, 14.3960687666, 14.5358364245, 14.6756040825]" +11,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Rh,"[-7.24422466, -7.25601376, -7.26491151, -7.27109509, -7.27472838, -7.27596128, -7.27493982, -7.27179667, -7.26666781, -7.25966686, -7.25091146]",PBE,-7.27610478386974,5.91636297037e-06,38.0,1.0,-0.0020311770394951427,-0.0020311770394951427,E0,FindHistory,-7.2759569933,2.6722000000000004e-06,"[13.2778389649, 13.4176056909, 13.5573724168, 13.6971391428, 13.8369058687, 13.9766725946, 14.1164393206, 14.256206046500001, 14.3959727725, 14.5357394984, 14.6755062244]" +12,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Rh,"[-7.24435781, -7.25614228, -7.26503948, -7.27121822, -7.27484717, -7.27607426, -7.2750483599999995, -7.27190654, -7.26676847, -7.25976498, -7.2510012]",PBE,-7.27610478386974,5.91636297037e-06,40.0,1.0,-0.0004532544640123875,-0.0004532544640123875,E0,FindHistory,-7.276071804600001,2.2817e-06,"[13.277975323, 13.4177434843, 13.5575116456, 13.6972798069, 13.8370479682, 13.9768161294, 14.1165842907, 14.256352452, 14.3961206133, 14.5358887746, 14.6756569359]" +13,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Rh,"[-7.24439769, -7.25618137, -7.26507239, -7.27124641, -7.27487066, -7.27609382, -7.27506721, -7.27191752, -7.26678305, -7.2597752700000004, -7.25101359]",PBE,-7.27610478386974,5.91636297037e-06,58.0,1.0,-0.0001793799034971263,-0.0001793799034971263,E0,FindHistory,-7.276091732,2.1067e-06,"[13.277981755, 13.417749984, 13.557518213, 13.697286442, 13.837054671, 13.9768229, 14.116591129, 14.256359358, 14.396127587, 14.535895816, 14.675664045]" +14,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Rh,"[-7.2567698, -7.26855847, -7.27749153, -7.2836716599999995, -7.2873118, -7.28853863, -7.28750137, -7.2843448, -7.27919831, -7.27217019, -7.26337735]",PBE,-7.27610478386974,5.91636297037e-06,10.0,1.0,-0.1708054336684622,0.1708054336684622,E0,FindHistory,-7.2885327662,4.312e-06,"[13.2721131096, 13.4118195634, 13.5515260172, 13.691232471, 13.8309389248, 13.9706453786, 14.1103518324, 14.2500582861, 14.3897647399, 14.529471193700001, 14.6691776475]" +15,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Rh,"[-7.24429916, -7.25609646, -7.2649996, -7.27117022, -7.27479207, -7.27602464, -7.27500495, -7.27186254, -7.26673235, -7.25973092, -7.25097432]",PBE,-7.27610478386974,5.91636297037e-06,30.0,1.0,-0.0010987316993756812,-0.0010987316993756812,E0,FindHistory,-7.276024839,1.5512e-06,"[13.2770112502, 13.4167692633, 13.5565272765, 13.6962852897, 13.8360433028, 13.975801316, 14.1155593291, 14.2553173423, 14.3950753555, 14.5348333686, 14.6745913818]" +16,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Rh,"[-7.24435033, -7.2561317, -7.26502456, -7.27120009, -7.27482744, -7.27605422, -7.27502607, -7.27188024, -7.2667469, -7.25974429, -7.25098764]",PBE,-7.27610478386974,5.91636297037e-06,46.0,1.0,-0.0007603404758847983,-0.0007603404758847983,E0,FindHistory,-7.2760494607,2.6712e-06,"[13.2779728275, 13.4177409625, 13.5575090975, 13.6972772325, 13.8370453676, 13.9768135026, 14.1165816376, 14.2563497726, 14.3961179077, 14.5358860427, 14.6756541777]" +17,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Rh,"[-7.2380667, -7.24990454, -7.25885601, -7.26507917, -7.26873946, -7.26999475, -7.2690075499999995, -7.2658836, -7.2607682, -7.25378072, -7.2450274199999996]",PBE,-7.27610478386974,5.91636297037e-06,12.0,1.0,-0.08390149332748516,-0.08390149332748516,E0,FindHistory,-7.270000023300001,2.3625000000000003e-06,"[13.276486507, 13.4162389966, 13.5559914861, 13.6957439757, 13.8354964652, 13.9752489548, 14.1150014443, 14.2547539339, 14.3945064234, 14.534258913, 14.6740114025]" +18,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Rh,"[-7.24438961, -7.2561697, -7.26506174, -7.27123646, -7.27486361, -7.27608776, -7.27505606, -7.27190888, -7.26677039, -7.25976527, -7.25100256]",PBE,-7.27610478386974,5.91636297037e-06,62.0,1.0,-0.0003034078039833639,-0.0003034078039833639,E0,FindHistory,-7.2760827076,2.7748e-06,"[13.2779911875, 13.4177595157, 13.557527843999999, 13.6972961723, 13.8370645006, 13.9768328289, 14.1166011572, 14.2563694855, 14.3961378138, 14.5359061421, 14.6756744703]" +19,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Rh,"[-7.24441595, -7.2561978, -7.26509101, -7.27126684, -7.27489415, -7.27611765, -7.2750877, -7.27193987, -7.26680155, -7.25979317, -7.25103111]",PBE,-7.27610478386974,5.91636297037e-06,54.0,1.0,-0.00012296456039757588,0.00012296456039757588,E0,FindHistory,-7.2761137309000015,2.7107e-06,"[13.2779392137, 13.4177069949, 13.5574747761, 13.697242557300001, 13.8370103385, 13.9767781197, 14.1165459009, 14.2563136821, 14.3960814633, 14.5358492445, 14.6756170257]" +20,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Rh,"[-7.2403981, -7.25219749, -7.26111041, -7.26731252, -7.27095178, -7.27220935, -7.27121631, -7.26809494, -7.26298028, -7.25600615, -7.24728787]",PBE,-7.27610478386974,5.91636297037e-06,14.0,1.0,-0.05356488650880512,-0.05356488650880512,E0,FindHistory,-7.272207346599998,3.9299e-06,"[13.2818103739, 13.4216189041, 13.5614274344, 13.7012359646, 13.8410444949, 13.9808530251, 14.1206615554, 14.2604700856, 14.4002786159, 14.5400871461, 14.6798956764]" +21,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Rh,"[-7.24432209, -7.25610434, -7.2649984100000005, -7.27117579, -7.27480449, -7.27603363, -7.27500729, -7.27186478, -7.26673271, -7.25972969, -7.25097456]",PBE,-7.27610478386974,5.91636297037e-06,34.0,1.0,-0.0010385841323898135,-0.0010385841323898135,E0,FindHistory,-7.276029215399999,2.5791000000000004e-06,"[13.2778666063, 13.4176336232, 13.5574006401, 13.697167657, 13.836934674, 13.9767016909, 14.1164687078, 14.2562357247, 14.3960027416, 14.5357697585, 14.6755367754]" +22,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Rh,"[-7.24432623, -7.25611517, -7.26500794, -7.27118973, -7.27481691, -7.27604297, -7.2750168, -7.2718731, -7.26673535, -7.25973313, -7.25097275]",PBE,-7.27610478386974,5.91636297037e-06,50.0,1.0,-0.0008870263919681109,-0.0008870263919681109,E0,FindHistory,-7.2760402429,2.4322e-06,"[13.277943670700001, 13.4177114988, 13.5574793269, 13.6972471551, 13.8370149832, 13.9767828113, 14.1165506394, 14.2563184675, 14.3960862956, 14.5358541237, 14.6756219518]" +23,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Rh,"[-7.13697945, -7.1486806, -7.15750501, -7.1636633100000005, -7.16724865, -7.16854539, -7.16755458, -7.16445957, -7.15944184, -7.15254496, -7.14390006]",PBE,-7.27610478386974,5.91636297037e-06,6.0,1.0,-1.4785121581567595,-1.4785121581567595,E0,FindHistory,-7.16852669,6.927000000000003e-06,"[13.3703465195, 13.5110870092, 13.6518274989, 13.7925679886, 13.9333084783, 14.0740489679, 14.2147894576, 14.3555299473, 14.496270437, 14.6370109267, 14.7777514163]" +24,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Rh,"[-7.24443313, -7.25621773, -7.26510987, -7.27128739, -7.2749141, -7.27614109, -7.27511357, -7.27196546, -7.26683174, -7.25982534, -7.25106445]",PBE,-7.27610478386974,5.91636297037e-06,48.0,1.0,-0.0004419223089121976,0.0004419223089121976,E0,FindHistory,-7.2761369386,2.4450000000000003e-06,"[13.2778556853, 13.4176225872, 13.5573894892, 13.6971563911, 13.8369232931, 13.976690195, 14.116457097, 14.256223999, 14.3959909009, 14.5357578029, 14.6755247048]" +25,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Rh,"[-7.24440878, -7.25619094, -7.26508191, -7.27125621, -7.27487966, -7.2761039, -7.27507409, -7.27192382, -7.26678805, -7.25978044, -7.25101802]",PBE,-7.27610478386974,5.91636297037e-06,70.0,1.0,-6.599231158249203e-05,-6.599231158249203e-05,E0,FindHistory,-7.2760999822,2.3529e-06,"[13.2780526949, 13.4178216706, 13.5575906464, 13.6973596221, 13.8371285978, 13.9768975736, 14.1166665493, 14.2564355251, 14.3962045008, 14.5359734765, 14.6757424523]" +26,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Rh,"[-7.2428478, -7.25465705, -7.26358034, -7.26978022, -7.27343632, -7.27467981, -7.27367205, -7.27054558, -7.26542086, -7.25843425, -7.24969675]",PBE,-7.27610478386974,5.91636297037e-06,18.0,1.0,-0.01963223334697269,-0.01963223334697269,E0,FindHistory,-7.274676322,3.8164e-06,"[13.2763946916, 13.4161462147, 13.5558977377, 13.6956492608, 13.8354007839, 13.975152307, 14.11490383, 14.2546553531, 14.3944068762, 14.5341583992, 14.6739099223]" +27,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Rh,"[-7.24439838, -7.25617809, -7.26506968, -7.27124381, -7.27486555, -7.27609183, -7.27505881, -7.27190984, -7.26677249, -7.25976529, -7.2510018]",PBE,-7.27610478386974,5.91636297037e-06,68.0,1.0,-0.0002542578795889171,-0.0002542578795889171,E0,FindHistory,-7.2760862838,2.4850000000000003e-06,"[13.2780217623, 13.4177904124, 13.5575590626, 13.6973277127, 13.8370963628, 13.976865013, 14.1166336631, 14.2564023132, 14.3961709634, 14.5359396135, 14.6757082636]" +28,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Rh,"[-7.24431896, -7.25610662, -7.26499995, -7.27117918, -7.27480735, -7.27603625, -7.27500934, -7.27186166, -7.26672896, -7.25972323, -7.25096506]",PBE,-7.27610478386974,5.91636297037e-06,44.0,1.0,-0.0010085007283456232,-0.0010085007283456232,E0,FindHistory,-7.276031404299999,2.6155e-06,"[13.2778555851, 13.417622486, 13.5573893869, 13.6971562877, 13.8369231886, 13.9766900895, 14.1164569904, 14.2562238913, 14.3959907922, 14.5357576931, 14.675524594]" +29,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Rh,"[-7.24393453, -7.25573414, -7.26464332, -7.2708369600000005, -7.27447535, -7.27570877, -7.27469105, -7.27154462, -7.26641649, -7.25941138, -7.25065284]",PBE,-7.27610478386974,5.91636297037e-06,24.0,1.0,-0.005482985492788931,-0.005482985492788931,E0,FindHistory,-7.2757058361,3.0420000000000007e-06,"[13.2770214239, 13.4167795441, 13.5565376644, 13.6962957846, 13.8360539049, 13.9758120251, 14.1155701454, 14.2553282656, 14.395086385900001, 14.5348445062, 14.6746026264]" +30,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Rh,"[-7.24422673, -7.25601982, -7.2649251, -7.27111074, -7.27474199, -7.27597585, -7.27495655, -7.27181862, -7.26668701, -7.25968924, -7.25093579]",PBE,-7.27610478386974,5.91636297037e-06,32.0,1.0,-0.0018021066715482215,-0.0018021066715482215,E0,FindHistory,-7.275973660700001,2.3632e-06,"[13.2773869592, 13.4171489272, 13.5569108952, 13.6966728632, 13.8364348312, 13.9761967991, 14.1159587671, 14.2557207351, 14.3954827031, 14.5352446711, 14.6750066391]" +31,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Rh,"[-7.24441124, -7.25619429, -7.26508641, -7.271261, -7.27488542, -7.27611114, -7.27508113, -7.27193159, -7.26679444, -7.25978535, -7.25102393]",PBE,-7.27610478386974,5.91636297037e-06,66.0,1.0,-2.544534905371094e-05,2.544534905371094e-05,E0,FindHistory,-7.2761066353,2.5104e-06,"[13.2780361874, 13.4178049894, 13.5575737914, 13.6973425933, 13.8371113953, 13.9768801973, 14.1166489993, 14.2564178012, 14.3961866032, 14.5359554052, 14.6757242071]" +32,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Rh,"[-7.24401279, -7.25580433, -7.26471148, -7.27090277, -7.27453635, -7.2757774600000005, -7.2747615, -7.27162886, -7.26650553, -7.25951357, -7.25076964]",PBE,-7.27610478386974,5.91636297037e-06,20.0,1.0,-0.004553301245368632,-0.004553301245368632,E0,FindHistory,-7.275773480900002,2.7940000000000003e-06,"[13.277884688, 13.4176518952, 13.5574191025, 13.6971863097, 13.836953517, 13.9767207242, 14.1164879315, 14.2562551387, 14.3960223459, 14.5357895532, 14.6755567604]" +0,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Rh,"[-7.24408126, -7.25588436, -7.26479656, -7.27099289, -7.27463137, -7.27587315, -7.27486101, -7.2717335, -7.26661706, -7.25963682, -7.25089848]",PBE,5.21088259314112,0.00077794410212654,26.0,1.0,0.6112010276493621,0.6112010276493621,dB,FindHistory,5.2427315611,0.0174362785,"[13.2771186569, 13.4168778006, 13.5566369444, 13.6963960881, 13.8361552319, 13.9759143757, 14.1156735194, 14.2554326632, 14.3951918069, 14.5349509507, 14.6747100944]" +1,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Rh,"[-7.24440781, -7.25618874, -7.26508074, -7.27125604, -7.27487896, -7.27610626, -7.2750749, -7.2719273300000005, -7.26679107, -7.2597836000000004, -7.25102224]",PBE,5.21088259314112,0.00077794410212654,64.0,1.0,0.06079018831262142,-0.06079018831262142,dB,FindHistory,5.2077148878,0.0182071881,"[13.2780202393, 13.4177888734, 13.5575575075, 13.6973261416, 13.8370947757, 13.9768634098, 14.1166320438, 14.2564006779, 14.396169312, 14.5359379461, 14.6757065802]" +2,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Rh,"[-7.24485068, -7.25666575, -7.26559195, -7.27180181, -7.27546075, -7.27671111, -7.27570513, -7.27259218, -7.2674749, -7.26048804, -7.25175419]",PBE,5.21088259314112,0.00077794410212654,16.0,1.0,0.07414671645462952,-0.07414671645462952,dB,FindHistory,5.2070188948,0.0245232484,"[13.2779548167, 13.4177227622, 13.5574907076, 13.697258653, 13.8370265985, 13.9767945439, 14.1165624894, 14.2563304348, 14.3960983802, 14.5358663257, 14.6756342711]" +3,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Rh,"[-7.24437585, -7.25615553, -7.26504947, -7.27122501, -7.27484791, -7.27607463, -7.27504267, -7.27189461, -7.2667573, -7.25975015, -7.25099221]",PBE,5.21088259314112,0.00077794410212654,56.0,1.0,0.09291294463730701,0.09291294463730701,dB,FindHistory,5.2157241776,0.0214316568,"[13.2779509383, 13.4177188429, 13.5574867475, 13.6972546521, 13.837022556800001, 13.9767904614, 14.116558366, 14.2563262706, 14.3960941752, 14.5358620798, 14.6756299844]" +4,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Rh,"[-7.21223902, -7.22387638, -7.23263701, -7.23871955, -7.24226808, -7.24343915, -7.24234127, -7.23915583, -7.23399062, -7.22694125, -7.21818458]",PBE,5.21088259314112,0.00077794410212654,8.0,1.0,1.319526186055794,-1.319526186055794,dB,FindHistory,5.1421236328,0.044118510900000005,"[13.3253888504, 13.4656561014, 13.6059233525, 13.7461906036, 13.8864578546, 14.0267251057, 14.1669923567, 14.3072596078, 14.4475268588, 14.5877941099, 14.728061361]" +5,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Rh,"[-7.24437331, -7.2561574, -7.26505559, -7.27123448, -7.27486163, -7.27608864, -7.27506727, -7.27192183, -7.26678977, -7.25978933, -7.25103195]",PBE,5.21088259314112,0.00077794410212654,36.0,1.0,0.024160296003156823,0.024160296003156823,dB,FindHistory,5.2121415578,0.0176355632,"[13.2776054185, 13.4173696861, 13.5571339537, 13.6968982212, 13.8366624888, 13.9764267564, 14.1161910239, 14.2559552915, 14.3957195591, 14.5354838266, 14.6752480942]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Rh,"[-7.24422127, -7.25601712, -7.2649222, -7.27110722, -7.27473749, -7.27597013, -7.27494813, -7.27180642, -7.26667115, -7.25967045, -7.25090159]",PBE,5.21088259314112,0.00077794410212654,28.0,1.0,0.18230253265778806,-0.18230253265778806,dB,FindHistory,5.2013830222,0.0127010427,"[13.2777920633, 13.4175582955, 13.5573245278, 13.69709076, 13.8368569923, 13.9766232245, 14.1163894568, 14.256155689, 14.3959219212, 14.5356881535, 14.6754543857]" +7,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Rh,"[-7.24418412, -7.25599578, -7.26491934, -7.27112411, -7.2747867, -7.27604547, -7.27504781, -7.27193592, -7.26682651, -7.25984385, -7.25110904]",PBE,5.21088259314112,0.00077794410212654,22.0,1.0,0.7653871264268578,-0.7653871264268578,dB,FindHistory,5.1709991686,0.0188317248,"[13.2779722169, 13.4177403455, 13.5575084741, 13.6972766027, 13.8370447313, 13.9768128599, 14.1165809885, 14.2563491171, 14.3961172457, 14.5358853743, 14.6756535029]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Rh,"[-7.24444278, -7.25623016, -7.26512666, -7.27130584, -7.27493341, -7.27615871, -7.2751337, -7.27198692, -7.26684732, -7.25984032, -7.25107818]",PBE,5.21088259314112,0.00077794410212654,42.0,1.0,0.08019724809422546,-0.08019724809422546,dB,FindHistory,5.2067036087,0.0183647459,"[13.2777413238, 13.4175070219, 13.55727272, 13.6970384182, 13.8368041163, 13.9765698145, 14.1163355126, 14.2561012108, 14.3958669089, 14.5356326071, 14.6753983052]" +9,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Rh,"[-7.24439904, -7.25618298, -7.26507732, -7.27125374, -7.2748789, -7.27610448, -7.27507821, -7.27192927, -7.26679154, -7.25978676, -7.25102448]",PBE,5.21088259314112,0.00077794410212654,52.0,1.0,0.02870113679183955,-0.02870113679183955,dB,FindHistory,5.2093870106,0.0180386072,"[13.2779275032, 13.4176951611, 13.557462819, 13.697230477, 13.8369981349, 13.9767657928, 14.1165334507, 14.2563011087, 14.3960687666, 14.5358364245, 14.6756040825]" +10,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Rh,"[-7.24422466, -7.25601376, -7.26491151, -7.27109509, -7.27472838, -7.27596128, -7.27493982, -7.27179667, -7.26666781, -7.25966686, -7.25091146]",PBE,5.21088259314112,0.00077794410212654,38.0,1.0,0.18037996775232404,-0.18037996775232404,dB,FindHistory,5.201483204800001,0.0196219619,"[13.2778389649, 13.4176056909, 13.5573724168, 13.6971391428, 13.8369058687, 13.9766725946, 14.1164393206, 14.256206046500001, 14.3959727725, 14.5357394984, 14.6755062244]" +11,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Rh,"[-7.24435781, -7.25614228, -7.26503948, -7.27121822, -7.27484717, -7.27607426, -7.2750483599999995, -7.27190654, -7.26676847, -7.25976498, -7.2510012]",PBE,5.21088259314112,0.00077794410212654,40.0,1.0,0.24879431285180215,-0.24879431285180215,dB,FindHistory,5.1979182136,0.016752151,"[13.277975323, 13.4177434843, 13.5575116456, 13.6972798069, 13.8370479682, 13.9768161294, 14.1165842907, 14.256352452, 14.3961206133, 14.5358887746, 14.6756569359]" +12,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Rh,"[-7.24440342, -7.25618647, -7.26507927, -7.2712548, -7.27488001, -7.2761039499999995, -7.27507736, -7.27192762, -7.26679244, -7.25978485, -7.25102428]",PBE,5.21088259314112,0.00077794410212654,60.0,1.0,0.010704435019395601,-0.010704435019395601,dB,FindHistory,5.2103247976,0.0178644972,"[13.2779991888, 13.4177676013, 13.5575360139, 13.6973044264, 13.8370728389, 13.9768412514, 14.1166096639, 14.2563780764, 14.3961464889, 14.5359149015, 14.675683314]" +13,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Rh,"[-7.24439769, -7.25618137, -7.26507239, -7.27124641, -7.27487066, -7.27609382, -7.27506721, -7.27191752, -7.26678305, -7.2597752700000004, -7.25101359]",PBE,5.21088259314112,0.00077794410212654,58.0,1.0,0.007054329752196434,-0.007054329752196434,dB,FindHistory,5.2105150003,0.0154732428,"[13.277981755, 13.417749984, 13.557518213, 13.697286442, 13.837054671, 13.9768229, 14.116591129, 14.256359358, 14.396127587, 14.535895816, 14.675664045]" +14,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Rh,"[-7.24429916, -7.25609646, -7.2649996, -7.27117022, -7.27479207, -7.27602464, -7.27500495, -7.27186254, -7.26673235, -7.25973092, -7.25097432]",PBE,5.21088259314112,0.00077794410212654,30.0,1.0,0.37495900568933355,0.37495900568933355,dB,FindHistory,5.2304212667000005,0.0113921201,"[13.2770112502, 13.4167692633, 13.5565272765, 13.6962852897, 13.8360433028, 13.975801316, 14.1155593291, 14.2553173423, 14.3950753555, 14.5348333686, 14.6745913818]" +15,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Rh,"[-7.2567698, -7.26855847, -7.27749153, -7.2836716599999995, -7.2873118, -7.28853863, -7.28750137, -7.2843448, -7.27919831, -7.27217019, -7.26337735]",PBE,5.21088259314112,0.00077794410212654,10.0,1.0,0.5747639810680535,-0.5747639810680535,dB,FindHistory,5.1809323169,0.0315856227,"[13.2721131096, 13.4118195634, 13.5515260172, 13.691232471, 13.8309389248, 13.9706453786, 14.1103518324, 14.2500582861, 14.3897647399, 14.529471193700001, 14.6691776475]" +16,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Rh,"[-7.24435033, -7.2561317, -7.26502456, -7.27120009, -7.27482744, -7.27605422, -7.27502607, -7.27188024, -7.2667469, -7.25974429, -7.25098764]",PBE,5.21088259314112,0.00077794410212654,46.0,1.0,0.028660460722064126,0.028660460722064126,dB,FindHistory,5.2123760561,0.0196228449,"[13.2779728275, 13.4177409625, 13.5575090975, 13.6972772325, 13.8370453676, 13.9768135026, 14.1165816376, 14.2563497726, 14.3961179077, 14.5358860427, 14.6756541777]" +17,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Rh,"[-7.2380667, -7.24990454, -7.25885601, -7.26507917, -7.26873946, -7.26999475, -7.2690075499999995, -7.2658836, -7.2607682, -7.25378072, -7.2450274199999996]",PBE,5.21088259314112,0.00077794410212654,12.0,1.0,0.12063387206984413,-0.12063387206984413,dB,FindHistory,5.2045965037,0.0173005582,"[13.276486507, 13.4162389966, 13.5559914861, 13.6957439757, 13.8354964652, 13.9752489548, 14.1150014443, 14.2547539339, 14.3945064234, 14.534258913, 14.6740114025]" +18,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Rh,"[-7.24438961, -7.2561697, -7.26506174, -7.27123646, -7.27486361, -7.27608776, -7.27505606, -7.27190888, -7.26677039, -7.25976527, -7.25100256]",PBE,5.21088259314112,0.00077794410212654,62.0,1.0,0.06247758384357963,-0.06247758384357963,dB,FindHistory,5.2076269596,0.0203790584,"[13.2779911875, 13.4177595157, 13.557527843999999, 13.6972961723, 13.8370645006, 13.9768328289, 14.1166011572, 14.2563694855, 14.3961378138, 14.5359061421, 14.6756744703]" +19,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Rh,"[-7.24441595, -7.2561978, -7.26509101, -7.27126684, -7.27489415, -7.27611765, -7.2750877, -7.27193987, -7.26680155, -7.25979317, -7.25103111]",PBE,5.21088259314112,0.00077794410212654,54.0,1.0,0.08034182245116352,-0.08034182245116352,dB,FindHistory,5.2066960751,0.019906083,"[13.2779392137, 13.4177069949, 13.5574747761, 13.697242557300001, 13.8370103385, 13.9767781197, 14.1165459009, 14.2563136821, 14.3960814633, 14.5358492445, 14.6756170257]" +20,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Rh,"[-7.2403981, -7.25219749, -7.26111041, -7.26731252, -7.27095178, -7.27220935, -7.27121631, -7.26809494, -7.26298028, -7.25600615, -7.24728787]",PBE,5.21088259314112,0.00077794410212654,14.0,1.0,0.04825831509676128,-0.04825831509676128,dB,FindHistory,5.208367909,0.0288698714,"[13.2818103739, 13.4216189041, 13.5614274344, 13.7012359646, 13.8410444949, 13.9808530251, 14.1206615554, 14.2604700856, 14.4002786159, 14.5400871461, 14.6798956764]" +21,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Rh,"[-7.24432209, -7.25610434, -7.2649984100000005, -7.27117579, -7.27480449, -7.27603363, -7.27500729, -7.27186478, -7.26673271, -7.25972969, -7.25097456]",PBE,5.21088259314112,0.00077794410212654,34.0,1.0,0.11442242719051682,-0.11442242719051682,dB,FindHistory,5.2049201748,0.0189434445,"[13.2778666063, 13.4176336232, 13.5574006401, 13.697167657, 13.836934674, 13.9767016909, 14.1164687078, 14.2562357247, 14.3960027416, 14.5357697585, 14.6755367754]" +22,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Rh,"[-7.24432623, -7.25611517, -7.26500794, -7.27118973, -7.27481691, -7.27604297, -7.2750168, -7.2718731, -7.26673535, -7.25973313, -7.25097275]",PBE,5.21088259314112,0.00077794410212654,50.0,1.0,0.03808470299239786,0.03808470299239786,dB,FindHistory,5.2128671423,0.0178599461,"[13.277943670700001, 13.4177114988, 13.5574793269, 13.6972471551, 13.8370149832, 13.9767828113, 14.1165506394, 14.2563184675, 14.3960862956, 14.5358541237, 14.6756219518]" +23,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Rh,"[-7.13697945, -7.1486806, -7.15750501, -7.1636633100000005, -7.16724865, -7.16854539, -7.16755458, -7.16445957, -7.15944184, -7.15254496, -7.14390006]",PBE,5.21088259314112,0.00077794410212654,6.0,1.0,0.5134595255770533,-0.5134595255770533,dB,FindHistory,5.1841268201,0.0513944371,"[13.3703465195, 13.5110870092, 13.6518274989, 13.7925679886, 13.9333084783, 14.0740489679, 14.2147894576, 14.3555299473, 14.496270437, 14.6370109267, 14.7777514163]" +24,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Rh,"[-7.24443313, -7.25621773, -7.26510987, -7.27128739, -7.2749141, -7.27614109, -7.27511357, -7.27196546, -7.26683174, -7.25982534, -7.25106445]",PBE,5.21088259314112,0.00077794410212654,48.0,1.0,0.09558750081371307,-0.09558750081371307,dB,FindHistory,5.2059016407,0.0179550201,"[13.2778556853, 13.4176225872, 13.5573894892, 13.6971563911, 13.8369232931, 13.976690195, 14.116457097, 14.256223999, 14.3959909009, 14.5357578029, 14.6755247048]" +25,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Rh,"[-7.24440878, -7.25619094, -7.26508191, -7.27125621, -7.27487966, -7.2761039, -7.27507409, -7.27192382, -7.26678805, -7.25978044, -7.25101802]",PBE,5.21088259314112,0.00077794410212654,70.0,1.0,0.01567622076067477,0.01567622076067477,dB,FindHistory,5.2116994626,0.0172801605,"[13.2780526949, 13.4178216706, 13.5575906464, 13.6973596221, 13.8371285978, 13.9768975736, 14.1166665493, 14.2564355251, 14.3962045008, 14.5359734765, 14.6757424523]" +26,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Rh,"[-7.2428478, -7.25465705, -7.26358034, -7.26978022, -7.27343632, -7.27467981, -7.27367205, -7.27054558, -7.26542086, -7.25843425, -7.24969675]",PBE,5.21088259314112,0.00077794410212654,18.0,1.0,0.16826162942955017,0.16826162942955017,dB,FindHistory,5.2196505091,0.027999673500000002,"[13.2763946916, 13.4161462147, 13.5558977377, 13.6956492608, 13.8354007839, 13.975152307, 14.11490383, 14.2546553531, 14.3944068762, 14.5341583992, 14.6739099223]" +27,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Rh,"[-7.24439838, -7.25617809, -7.26506968, -7.27124381, -7.27486555, -7.27609183, -7.27505881, -7.27190984, -7.26677249, -7.25976529, -7.2510018]",PBE,5.21088259314112,0.00077794410212654,68.0,1.0,0.02196802212791171,-0.02196802212791171,dB,FindHistory,5.209737865299999,0.0182518281,"[13.2780217623, 13.4177904124, 13.5575590626, 13.6973277127, 13.8370963628, 13.976865013, 14.1166336631, 14.2564023132, 14.3961709634, 14.5359396135, 14.6757082636]" +28,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Rh,"[-7.24431896, -7.25610662, -7.26499995, -7.27117918, -7.27480735, -7.27603625, -7.27500934, -7.27186166, -7.26672896, -7.25972323, -7.25096506]",PBE,5.21088259314112,0.00077794410212654,44.0,1.0,0.012222227803749907,-0.012222227803749907,dB,FindHistory,5.2102457072,0.0192071178,"[13.2778555851, 13.417622486, 13.5573893869, 13.6971562877, 13.8369231886, 13.9766900895, 14.1164569904, 14.2562238913, 14.3959907922, 14.5357576931, 14.675524594]" +29,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Rh,"[-7.24422673, -7.25601982, -7.2649251, -7.27111074, -7.27474199, -7.27597585, -7.27495655, -7.27181862, -7.26668701, -7.25968924, -7.25093579]",PBE,5.21088259314112,0.00077794410212654,32.0,1.0,0.07099192493319513,0.07099192493319513,dB,FindHistory,5.214581899,0.0173503081,"[13.2773869592, 13.4171489272, 13.5569108952, 13.6966728632, 13.8364348312, 13.9761967991, 14.1159587671, 14.2557207351, 14.3954827031, 14.5352446711, 14.6750066391]" +30,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Rh,"[-7.24441124, -7.25619429, -7.26508641, -7.271261, -7.27488542, -7.27611114, -7.27508113, -7.27193159, -7.26679444, -7.25978535, -7.25102393]",PBE,5.21088259314112,0.00077794410212654,66.0,1.0,0.03492186032967209,-0.03492186032967209,dB,FindHistory,5.209062856,0.0184359794,"[13.2780361874, 13.4178049894, 13.5575737914, 13.6973425933, 13.8371113953, 13.9768801973, 14.1166489993, 14.2564178012, 14.3961866032, 14.5359554052, 14.6757242071]" +31,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Rh,"[-7.24393453, -7.25573414, -7.26464332, -7.2708369600000005, -7.27447535, -7.27570877, -7.27469105, -7.27154462, -7.26641649, -7.25941138, -7.25065284]",PBE,5.21088259314112,0.00077794410212654,24.0,1.0,0.06367607371326263,-0.06367607371326263,dB,FindHistory,5.2075645077,0.022316599000000003,"[13.2770214239, 13.4167795441, 13.5565376644, 13.6962957846, 13.8360539049, 13.9758120251, 14.1155701454, 14.2553282656, 14.395086385900001, 14.5348445062, 14.6746026264]" +32,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Rh,"[-7.24401279, -7.25580433, -7.26471148, -7.27090277, -7.27453635, -7.2757774600000005, -7.2747615, -7.27162886, -7.26650553, -7.25951357, -7.25076964]",PBE,5.21088259314112,0.00077794410212654,20.0,1.0,0.01867008978786486,0.01867008978786486,dB,FindHistory,5.2118554696,0.0205185919,"[13.277884688, 13.4176518952, 13.5574191025, 13.6971863097, 13.836953517, 13.9767207242, 14.1164879315, 14.2562551387, 14.3960223459, 14.5357895532, 14.6755567604]" +0,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Rh,"[-7.24408126, -7.25588436, -7.26479656, -7.27099289, -7.27463137, -7.27587315, -7.27486101, -7.2717335, -7.26661706, -7.25963682, -7.25089848]",PBE,13.9814880313126,1.67708808617535e-05,26.0,1.0,0.0012196612193082854,0.0012196612193082854,v0,FindHistory,13.9816585581,7.830039999999999e-05,"[13.2771186569, 13.4168778006, 13.5566369444, 13.6963960881, 13.8361552319, 13.9759143757, 14.1156735194, 14.2554326632, 14.3951918069, 14.5349509507, 14.6747100944]" +1,TetraBloechl,PseudoPot_64x64x64_POS,VASP,Rh,"[-7.24440781, -7.25618874, -7.26508074, -7.27125604, -7.27487896, -7.27610626, -7.2750749, -7.2719273300000005, -7.26679107, -7.2597836000000004, -7.25102224]",PBE,13.9814880313126,1.67708808617535e-05,64.0,1.0,0.00030095285500160093,0.00030095285500160093,v0,FindHistory,13.981530109000001,8.178680000000001e-05,"[13.2780202393, 13.4177888734, 13.5575575075, 13.6973261416, 13.8370947757, 13.9768634098, 14.1166320438, 14.2564006779, 14.396169312, 14.5359379461, 14.6757065802]" +2,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Rh,"[-7.24485068, -7.25666575, -7.26559195, -7.27180181, -7.27546075, -7.27671111, -7.27570513, -7.27259218, -7.2674749, -7.26048804, -7.25175419]",PBE,13.9814880313126,1.67708808617535e-05,16.0,1.0,0.012453952565724742,0.012453952565724742,v0,FindHistory,13.983229279200001,0.0001101224,"[13.2779548167, 13.4177227622, 13.5574907076, 13.697258653, 13.8370265985, 13.9767945439, 14.1165624894, 14.2563304348, 14.3960983802, 14.5358663257, 14.6756342711]" +3,TetraBloechl,PseudoPot_56x56x56_POS,VASP,Rh,"[-7.24437585, -7.25615553, -7.26504947, -7.27122501, -7.27484791, -7.27607463, -7.27504267, -7.27189461, -7.2667573, -7.25975015, -7.25099221]",PBE,13.9814880313126,1.67708808617535e-05,56.0,1.0,0.00047080834638226144,-0.00047080834638226144,v0,FindHistory,13.9814222053,9.62705e-05,"[13.2779509383, 13.4177188429, 13.5574867475, 13.6972546521, 13.837022556800001, 13.9767904614, 14.116558366, 14.2563262706, 14.3960941752, 14.5358620798, 14.6756299844]" +4,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Rh,"[-7.21223902, -7.22387638, -7.23263701, -7.23871955, -7.24226808, -7.24343915, -7.24234127, -7.23915583, -7.23399062, -7.22694125, -7.21818458]",PBE,13.9814880313126,1.67708808617535e-05,8.0,1.0,0.3312215322409622,0.3312215322409622,v0,FindHistory,14.0277977302,0.0001990101,"[13.3253888504, 13.4656561014, 13.6059233525, 13.7461906036, 13.8864578546, 14.0267251057, 14.1669923567, 14.3072596078, 14.4475268588, 14.5877941099, 14.728061361]" +5,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Rh,"[-7.24437331, -7.2561574, -7.26505559, -7.27123448, -7.27486163, -7.27608864, -7.27506727, -7.27192183, -7.26678977, -7.25978933, -7.25103195]",PBE,13.9814880313126,1.67708808617535e-05,36.0,1.0,0.0009858679726353942,-0.0009858679726353942,v0,FindHistory,13.9813501923,7.921350000000001e-05,"[13.2776054185, 13.4173696861, 13.5571339537, 13.6968982212, 13.8366624888, 13.9764267564, 14.1161910239, 14.2559552915, 14.3957195591, 14.5354838266, 14.6752480942]" +6,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Rh,"[-7.24422127, -7.25601712, -7.2649222, -7.27110722, -7.27473749, -7.27597013, -7.27494813, -7.27180642, -7.26667115, -7.25967045, -7.25090159]",PBE,13.9814880313126,1.67708808617535e-05,28.0,1.0,0.0016576661002170043,0.0016576661002170043,v0,FindHistory,13.9817197977,5.70482e-05,"[13.2777920633, 13.4175582955, 13.5573245278, 13.69709076, 13.8368569923, 13.9766232245, 14.1163894568, 14.256155689, 14.3959219212, 14.5356881535, 14.6754543857]" +7,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Rh,"[-7.24418412, -7.25599578, -7.26491934, -7.27112411, -7.2747867, -7.27604547, -7.27504781, -7.27193592, -7.26682651, -7.25984385, -7.25110904]",PBE,13.9814880313126,1.67708808617535e-05,22.0,1.0,0.015132550860553151,0.015132550860553151,v0,FindHistory,13.9836037871,8.45605e-05,"[13.2779722169, 13.4177403455, 13.5575084741, 13.6972766027, 13.8370447313, 13.9768128599, 14.1165809885, 14.2563491171, 14.3961172457, 14.5358853743, 14.6756535029]" +8,TetraBloechl,PseudoPot_42x42x42_POS,VASP,Rh,"[-7.24444278, -7.25623016, -7.26512666, -7.27130584, -7.27493341, -7.27615871, -7.2751337, -7.27198692, -7.26684732, -7.25984032, -7.25107818]",PBE,13.9814880313126,1.67708808617535e-05,42.0,1.0,0.0009543048086193717,-0.0009543048086193717,v0,FindHistory,13.9813546053,8.24909e-05,"[13.2777413238, 13.4175070219, 13.55727272, 13.6970384182, 13.8368041163, 13.9765698145, 14.1163355126, 14.2561012108, 14.3958669089, 14.5356326071, 14.6753983052]" +9,TetraBloechl,PseudoPot_60x60x60_POS,VASP,Rh,"[-7.24440342, -7.25618647, -7.26507927, -7.2712548, -7.27488001, -7.2761039499999995, -7.27507736, -7.27192762, -7.26679244, -7.25978485, -7.25102428]",PBE,13.9814880313126,1.67708808617535e-05,60.0,1.0,0.0002949742352739364,0.0002949742352739364,v0,FindHistory,13.9815292731,8.02485e-05,"[13.2779991888, 13.4177676013, 13.5575360139, 13.6973044264, 13.8370728389, 13.9768412514, 14.1166096639, 14.2563780764, 14.3961464889, 14.5359149015, 14.675683314]" +10,TetraBloechl,PseudoPot_52x52x52_POS,VASP,Rh,"[-7.24439904, -7.25618298, -7.26507732, -7.27125374, -7.2748789, -7.27610448, -7.27507821, -7.27192927, -7.26679154, -7.25978676, -7.25102448]",PBE,13.9814880313126,1.67708808617535e-05,52.0,1.0,1.1532482054094645e-05,-1.1532482054094645e-05,v0,FindHistory,13.981486418900001,8.102720000000001e-05,"[13.2779275032, 13.4176951611, 13.557462819, 13.697230477, 13.8369981349, 13.9767657928, 14.1165334507, 14.2563011087, 14.3960687666, 14.5358364245, 14.6756040825]" +11,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Rh,"[-7.24422466, -7.25601376, -7.26491151, -7.27109509, -7.27472838, -7.27596128, -7.27493982, -7.27179667, -7.26666781, -7.25966686, -7.25091146]",PBE,13.9814880313126,1.67708808617535e-05,38.0,1.0,0.0023718096861929726,0.0023718096861929726,v0,FindHistory,13.9818196456,8.81336e-05,"[13.2778389649, 13.4176056909, 13.5573724168, 13.6971391428, 13.8369058687, 13.9766725946, 14.1164393206, 14.256206046500001, 14.3959727725, 14.5357394984, 14.6755062244]" +12,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Rh,"[-7.24435781, -7.25614228, -7.26503948, -7.27121822, -7.27484717, -7.27607426, -7.2750483599999995, -7.27190654, -7.26676847, -7.25976498, -7.2510012]",PBE,13.9814880313126,1.67708808617535e-05,40.0,1.0,0.001630751225404895,0.001630751225404895,v0,FindHistory,13.9817160346,7.524760000000001e-05,"[13.277975323, 13.4177434843, 13.5575116456, 13.6972798069, 13.8370479682, 13.9768161294, 14.1165842907, 14.256352452, 14.3961206133, 14.5358887746, 14.6756569359]" +13,TetraBloechl,PseudoPot_58x58x58_POS,VASP,Rh,"[-7.24439769, -7.25618137, -7.26507239, -7.27124641, -7.27487066, -7.27609382, -7.27506721, -7.27191752, -7.26678305, -7.2597752700000004, -7.25101359]",PBE,13.9814880313126,1.67708808617535e-05,58.0,1.0,4.671686292415545e-05,-4.671686292415545e-05,v0,FindHistory,13.981481499600001,6.95052e-05,"[13.277981755, 13.417749984, 13.557518213, 13.697286442, 13.837054671, 13.9768229, 14.116591129, 14.256359358, 14.396127587, 14.535895816, 14.675664045]" +14,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Rh,"[-7.2567698, -7.26855847, -7.27749153, -7.2836716599999995, -7.2873118, -7.28853863, -7.28750137, -7.2843448, -7.27919831, -7.27217019, -7.26337735]",PBE,13.9814880313126,1.67708808617535e-05,10.0,1.0,0.04389379942145556,-0.04389379942145556,v0,FindHistory,13.975351025,0.0001418235,"[13.2721131096, 13.4118195634, 13.5515260172, 13.691232471, 13.8309389248, 13.9706453786, 14.1103518324, 14.2500582861, 14.3897647399, 14.529471193700001, 14.6691776475]" +15,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Rh,"[-7.24429916, -7.25609646, -7.2649996, -7.27117022, -7.27479207, -7.27602464, -7.27500495, -7.27186254, -7.26673235, -7.25973092, -7.25097432]",PBE,13.9814880313126,1.67708808617535e-05,30.0,1.0,0.005576395808894045,-0.005576395808894045,v0,FindHistory,13.9807083682,5.116620000000001e-05,"[13.2770112502, 13.4167692633, 13.5565272765, 13.6962852897, 13.8360433028, 13.975801316, 14.1155593291, 14.2553173423, 14.3950753555, 14.5348333686, 14.6745913818]" +16,TetraBloechl,PseudoPot_46x46x46_POS,VASP,Rh,"[-7.24435033, -7.2561317, -7.26502456, -7.27120009, -7.27482744, -7.27605422, -7.27502607, -7.27188024, -7.2667469, -7.25974429, -7.25098764]",PBE,13.9814880313126,1.67708808617535e-05,46.0,1.0,0.0008257718144382463,0.0008257718144382463,v0,FindHistory,13.981603486500001,8.81416e-05,"[13.2779728275, 13.4177409625, 13.5575090975, 13.6972772325, 13.8370453676, 13.9768135026, 14.1165816376, 14.2563497726, 14.3961179077, 14.5358860427, 14.6756541777]" +17,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Rh,"[-7.2380667, -7.24990454, -7.25885601, -7.26507917, -7.26873946, -7.26999475, -7.2690075499999995, -7.2658836, -7.2607682, -7.25378072, -7.2450274199999996]",PBE,13.9814880313126,1.67708808617535e-05,12.0,1.0,0.003698805779772874,0.003698805779772874,v0,FindHistory,13.9820051794,7.76761e-05,"[13.276486507, 13.4162389966, 13.5559914861, 13.6957439757, 13.8354964652, 13.9752489548, 14.1150014443, 14.2547539339, 14.3945064234, 14.534258913, 14.6740114025]" +18,TetraBloechl,PseudoPot_62x62x62_POS,VASP,Rh,"[-7.24438961, -7.2561697, -7.26506174, -7.27123646, -7.27486361, -7.27608776, -7.27505606, -7.27190888, -7.26677039, -7.25976527, -7.25100256]",PBE,13.9814880313126,1.67708808617535e-05,62.0,1.0,3.374381461453546e-05,3.374381461453546e-05,v0,FindHistory,13.981492749200001,9.15425e-05,"[13.2779911875, 13.4177595157, 13.557527843999999, 13.6972961723, 13.8370645006, 13.9768328289, 14.1166011572, 14.2563694855, 14.3961378138, 14.5359061421, 14.6756744703]" +19,TetraBloechl,PseudoPot_54x54x54_POS,VASP,Rh,"[-7.24441595, -7.2561978, -7.26509101, -7.27126684, -7.27489415, -7.27611765, -7.2750877, -7.27193987, -7.26680155, -7.25979317, -7.25103111]",PBE,13.9814880313126,1.67708808617535e-05,54.0,1.0,0.00028505415524690563,-0.00028505415524690563,v0,FindHistory,13.9814481765,8.941799999999999e-05,"[13.2779392137, 13.4177069949, 13.5574747761, 13.697242557300001, 13.8370103385, 13.9767781197, 14.1165459009, 14.2563136821, 14.3960814633, 14.5358492445, 14.6756170257]" +20,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Rh,"[-7.2403981, -7.25219749, -7.26111041, -7.26731252, -7.27095178, -7.27220935, -7.27121631, -7.26809494, -7.26298028, -7.25600615, -7.24728787]",PBE,13.9814880313126,1.67708808617535e-05,14.0,1.0,0.041148996262161286,0.041148996262161286,v0,FindHistory,13.987241273299999,0.00012967920000000002,"[13.2818103739, 13.4216189041, 13.5614274344, 13.7012359646, 13.8410444949, 13.9808530251, 14.1206615554, 14.2604700856, 14.4002786159, 14.5400871461, 14.6798956764]" +21,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Rh,"[-7.24432209, -7.25610434, -7.2649984100000005, -7.27117579, -7.27480449, -7.27603363, -7.27500729, -7.27186478, -7.26673271, -7.25972969, -7.25097456]",PBE,13.9814880313126,1.67708808617535e-05,34.0,1.0,0.000991035339657731,0.000991035339657731,v0,FindHistory,13.9816265928,8.509110000000001e-05,"[13.2778666063, 13.4176336232, 13.5574006401, 13.697167657, 13.836934674, 13.9767016909, 14.1164687078, 14.2562357247, 14.3960027416, 14.5357697585, 14.6755367754]" +22,TetraBloechl,PseudoPot_50x50x50_POS,VASP,Rh,"[-7.24432623, -7.25611517, -7.26500794, -7.27118973, -7.27481691, -7.27604297, -7.2750168, -7.2718731, -7.26673535, -7.25973313, -7.25097275]",PBE,13.9814880313126,1.67708808617535e-05,50.0,1.0,0.0008838114163875163,0.0008838114163875163,v0,FindHistory,13.981611601300001,8.02254e-05,"[13.277943670700001, 13.4177114988, 13.5574793269, 13.6972471551, 13.8370149832, 13.9767828113, 14.1165506394, 14.2563184675, 14.3960862956, 14.5358541237, 14.6756219518]" +23,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Rh,"[-7.13697945, -7.1486806, -7.15750501, -7.1636633100000005, -7.16724865, -7.16854539, -7.16755458, -7.16445957, -7.15944184, -7.15254496, -7.14390006]",PBE,13.9814880313126,1.67708808617535e-05,6.0,1.0,0.7137832036468267,0.7137832036468267,v0,FindHistory,14.0812855445,0.000232362,"[13.3703465195, 13.5110870092, 13.6518274989, 13.7925679886, 13.9333084783, 14.0740489679, 14.2147894576, 14.3555299473, 14.496270437, 14.6370109267, 14.7777514163]" +24,TetraBloechl,PseudoPot_48x48x48_POS,VASP,Rh,"[-7.24443313, -7.25621773, -7.26510987, -7.27128739, -7.2749141, -7.27614109, -7.27511357, -7.27196546, -7.26683174, -7.25982534, -7.25106445]",PBE,13.9814880313126,1.67708808617535e-05,48.0,1.0,0.00014116889814828857,-0.00014116889814828857,v0,FindHistory,13.9814682938,8.065189999999999e-05,"[13.2778556853, 13.4176225872, 13.5573894892, 13.6971563911, 13.8369232931, 13.976690195, 14.116457097, 14.256223999, 14.3959909009, 14.5357578029, 14.6755247048]" +25,TetraBloechl,PseudoPot_70x70x70_POS,VASP,Rh,"[-7.24440878, -7.25619094, -7.26508191, -7.27125621, -7.27487966, -7.2761039, -7.27507409, -7.27192382, -7.26678805, -7.25978044, -7.25101802]",PBE,13.9814880313126,1.67708808617535e-05,70.0,1.0,0.00014713017208563907,0.00014713017208563907,v0,FindHistory,13.9815086023,7.7625e-05,"[13.2780526949, 13.4178216706, 13.5575906464, 13.6973596221, 13.8371285978, 13.9768975736, 14.1166665493, 14.2564355251, 14.3962045008, 14.5359734765, 14.6757424523]" +26,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Rh,"[-7.2428478, -7.25465705, -7.26358034, -7.26978022, -7.27343632, -7.27467981, -7.27367205, -7.27054558, -7.26542086, -7.25843425, -7.24969675]",PBE,13.9814880313126,1.67708808617535e-05,18.0,1.0,0.0022511238567395433,-0.0022511238567395433,v0,FindHistory,13.9811732907,0.000125726,"[13.2763946916, 13.4161462147, 13.5558977377, 13.6956492608, 13.8354007839, 13.975152307, 14.11490383, 14.2546553531, 14.3944068762, 14.5341583992, 14.6739099223]" +27,TetraBloechl,PseudoPot_68x68x68_POS,VASP,Rh,"[-7.24439838, -7.25617809, -7.26506968, -7.27124381, -7.27486555, -7.27609183, -7.27505881, -7.27190984, -7.26677249, -7.25976529, -7.2510018]",PBE,13.9814880313126,1.67708808617535e-05,68.0,1.0,0.00023987513006393436,-0.00023987513006393436,v0,FindHistory,13.9814544932,8.198709999999999e-05,"[13.2780217623, 13.4177904124, 13.5575590626, 13.6973277127, 13.8370963628, 13.976865013, 14.1166336631, 14.2564023132, 14.3961709634, 14.5359396135, 14.6757082636]" +28,TetraBloechl,PseudoPot_44x44x44_POS,VASP,Rh,"[-7.24431896, -7.25610662, -7.26499995, -7.27117918, -7.27480735, -7.27603625, -7.27500934, -7.27186166, -7.26672896, -7.25972323, -7.25096506]",PBE,13.9814880313126,1.67708808617535e-05,44.0,1.0,0.0002954563012750421,0.0002954563012750421,v0,FindHistory,13.9815293405,8.627460000000001e-05,"[13.2778555851, 13.417622486, 13.5573893869, 13.6971562877, 13.8369231886, 13.9766900895, 14.1164569904, 14.2562238913, 14.3959907922, 14.5357576931, 14.675524594]" +29,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Rh,"[-7.24393453, -7.25573414, -7.26464332, -7.2708369600000005, -7.27447535, -7.27570877, -7.27469105, -7.27154462, -7.26641649, -7.25941138, -7.25065284]",PBE,13.9814880313126,1.67708808617535e-05,24.0,1.0,0.0028536155215090255,-0.0028536155215090255,v0,FindHistory,13.9810890534,0.0001002268,"[13.2770214239, 13.4167795441, 13.5565376644, 13.6962957846, 13.8360539049, 13.9758120251, 14.1155701454, 14.2553282656, 14.395086385900001, 14.5348445062, 14.6746026264]" +30,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Rh,"[-7.24422673, -7.25601982, -7.2649251, -7.27111074, -7.27474199, -7.27597585, -7.27495655, -7.27181862, -7.26668701, -7.25968924, -7.25093579]",PBE,13.9814880313126,1.67708808617535e-05,32.0,1.0,0.0005987324983633057,-0.0005987324983633057,v0,FindHistory,13.981404319600001,7.792690000000001e-05,"[13.2773869592, 13.4171489272, 13.5569108952, 13.6966728632, 13.8364348312, 13.9761967991, 14.1159587671, 14.2557207351, 14.3954827031, 14.5352446711, 14.6750066391]" +31,TetraBloechl,PseudoPot_66x66x66_POS,VASP,Rh,"[-7.24441124, -7.25619429, -7.26508641, -7.271261, -7.27488542, -7.27611114, -7.27508113, -7.27193159, -7.26679444, -7.25978535, -7.25102393]",PBE,13.9814880313126,1.67708808617535e-05,66.0,1.0,0.0002259400954212293,0.0002259400954212293,v0,FindHistory,13.981519621099999,8.28162e-05,"[13.2780361874, 13.4178049894, 13.5575737914, 13.6973425933, 13.8371113953, 13.9768801973, 14.1166489993, 14.2564178012, 14.3961866032, 14.5359554052, 14.6757242071]" +32,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Rh,"[-7.24401279, -7.25580433, -7.26471148, -7.27090277, -7.27453635, -7.2757774600000005, -7.2747615, -7.27162886, -7.26650553, -7.25951357, -7.25076964]",PBE,13.9814880313126,1.67708808617535e-05,20.0,1.0,0.005497839612485853,0.005497839612485853,v0,FindHistory,13.9822567111,9.21542e-05,"[13.277884688, 13.4176518952, 13.5574191025, 13.6971863097, 13.836953517, 13.9767207242, 14.1164879315, 14.2562551387, 14.3960223459, 14.5357895532, 14.6755567604]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,57.831685943074596,0.00913242285459879,68.0,1.0,2.347799237793431,-2.347799237793431,B,bcc,56.4739140613,0.0062034512000000005,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,57.831685943074596,0.00913242285459879,68.0,1.0,2.347799237793431,-2.347799237793431,B,bcc,56.4739140613,0.0062034512000000005,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,-12.4037735392817,2.68817576828153e-06,68.0,1.0,-50.832607336902655,-50.832607336902655,E0,bcc,-6.0986120411,6.239000000000001e-07,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,-12.4037735392817,2.68817576828153e-06,68.0,1.0,-50.832607336902655,-50.832607336902655,E0,bcc,-6.0986120411,6.239000000000001e-07,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,3.49588977787286,0.00974040268082915,68.0,1.0,4.228157658414471,-4.228157658414471,dB,bcc,3.3480780465,0.0120724714,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,3.49588977787286,0.00974040268082915,68.0,1.0,4.228157658414471,-4.228157658414471,dB,bcc,3.3480780465,0.0120724714,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,48.3809312884562,0.000392455173357189,68.0,1.0,49.60650727858701,-49.60650727858701,v0,bcc,24.380841087399997,9.47909e-05,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Sc,"[-6.0870467, -6.0913217, -6.09457439, -6.09684597, -6.09817883, -6.09861287, -6.09818743, -6.09693813, -6.09489996, -6.09210715, -6.08859209]",PBE,48.3809312884562,0.000392455173357189,68.0,1.0,49.60650727858701,-49.60650727858701,v0,bcc,24.380841087399997,9.47909e-05,"[23.1622853892, 23.4060989196, 23.64991245, 23.8937259804, 24.1375395108, 24.3813530412, 24.6251665717, 24.8689801021, 25.1127936325, 25.3566071629, 25.6004206933]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",PBE,57.8297169949794,0.00800129164519648,50.0,1.0,0.10209675369105614,0.10209675369105614,B,hcp,57.8887592587,0.0133677945,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",PBE,57.8297169949794,0.00800129164519648,58.0,1.0,0.11151471556777312,0.11151471556777312,B,hcp,57.8942056394,0.012268615200000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,57.8297169949794,0.00800129164519648,62.0,1.0,0.030883679617786035,0.030883679617786035,B,hcp,57.8475769395,0.0071979037,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,57.8297169949794,0.00800129164519648,54.0,1.0,0.032673981133680294,0.032673981133680294,B,hcp,57.8486122658,0.006728800500000001,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,57.8297169949794,0.00800129164519648,64.0,1.0,0.020547518711921064,0.020547518711921064,B,hcp,57.841599566899994,0.0063332576,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",PBE,57.8297169949794,0.00800129164519648,24.0,1.0,0.05297861672616382,0.05297861672616382,B,hcp,57.860354379099995,0.0069645197,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",PBE,57.8297169949794,0.00800129164519648,44.0,1.0,0.13398165743631313,0.13398165743631313,B,hcp,57.9071982083,0.0131157538,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",PBE,57.8297169949794,0.00800129164519648,48.0,1.0,0.10159731808076199,0.10159731808076199,B,hcp,57.88847043649999,0.0124713729,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",PBE,57.8297169949794,0.00800129164519648,42.0,1.0,0.11367784529588497,0.11367784529588497,B,hcp,57.8954565712,0.0128013624,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",PBE,57.8297169949794,0.00800129164519648,28.0,1.0,0.12513325411376733,0.12513325411376733,B,hcp,57.9020812017,0.0145407205,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",PBE,57.8297169949794,0.00800129164519648,26.0,1.0,0.15709405067378723,0.15709405067378723,B,hcp,57.9205640399,0.0166354105,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",PBE,57.8297169949794,0.00800129164519648,14.0,1.0,0.005582004109892587,-0.005582004109892587,B,hcp,57.8264889378,0.0182964518,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",PBE,57.8297169949794,0.00800129164519648,40.0,1.0,0.0908609152024289,0.0908609152024289,B,hcp,57.88226160510001,0.0111697344,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",PBE,57.8297169949794,0.00800129164519648,8.0,1.0,5.5495100257157,-5.5495100257157,B,hcp,54.6204510525,0.1621395319,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",PBE,57.8297169949794,0.00800129164519648,46.0,1.0,0.11963320437243007,0.11963320437243007,B,hcp,57.8989005385,0.0123150683,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",PBE,57.8297169949794,0.00800129164519648,4.0,1.0,1.9789083292936689,1.9789083292936689,B,hcp,58.9741140814,0.0046948219,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",PBE,57.8297169949794,0.00800129164519648,36.0,1.0,0.11367674949249824,0.11367674949249824,B,hcp,57.8954559375,0.0119810993,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",PBE,57.8297169949794,0.00800129164519648,38.0,1.0,0.11703755393870174,0.11703755393870174,B,hcp,57.8973994812,0.0131963873,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",PBE,57.8297169949794,0.00800129164519648,30.0,1.0,0.11570129631865615,0.11570129631865615,B,hcp,57.8966267272,0.0109534039,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",PBE,57.8297169949794,0.00800129164519648,6.0,1.0,0.011452461854470398,-0.011452461854470398,B,hcp,57.8230940687,0.0739333551,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",PBE,57.8297169949794,0.00800129164519648,60.0,1.0,0.12211182137849083,0.12211182137849083,B,hcp,57.900333915699996,0.011964766200000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,57.8297169949794,0.00800129164519648,62.0,1.0,0.030883679617786035,0.030883679617786035,B,hcp,57.8475769395,0.0071979037,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",PBE,57.8297169949794,0.00800129164519648,34.0,1.0,0.09027895402830623,0.09027895402830623,B,hcp,57.8819250586,0.0112877413,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",PBE,57.8297169949794,0.00800129164519648,16.0,1.0,0.06823604017295529,0.06823604017295529,B,hcp,57.8691777039,0.0168702038,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",PBE,57.8297169949794,0.00800129164519648,10.0,1.0,0.06403022467466019,0.06403022467466019,B,hcp,57.866745492700005,0.0218879083,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",PBE,57.8297169949794,0.00800129164519648,32.0,1.0,0.08783257788552916,0.08783257788552916,B,hcp,57.880510326199996,0.0096305077,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",PBE,57.8297169949794,0.00800129164519648,22.0,1.0,0.10346899609727912,0.10346899609727912,B,hcp,57.8895528226,0.0129091056,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",PBE,57.8297169949794,0.00800129164519648,52.0,1.0,0.11625600195559027,0.11625600195559027,B,hcp,57.896947511899995,0.0130277955,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",PBE,57.8297169949794,0.00800129164519648,56.0,1.0,0.10166932967302347,0.10166932967302347,B,hcp,57.8885120806,0.0114442613,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",PBE,57.8297169949794,0.00800129164519648,18.0,1.0,0.1907630572187943,0.1907630572187943,B,hcp,57.9400347311,0.011702188,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",PBE,57.8297169949794,0.00800129164519648,8.0,1.0,0.37762185572923146,-0.37762185572923146,B,hcp,57.611339344499996,0.045856370800000004,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",PBE,57.8297169949794,0.00800129164519648,20.0,1.0,0.17119510947839045,0.17119510947839045,B,hcp,57.9287186423,0.012333322800000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,57.8297169949794,0.00800129164519648,54.0,1.0,0.032673981133680294,0.032673981133680294,B,hcp,57.8486122658,0.006728800500000001,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,57.8297169949794,0.00800129164519648,64.0,1.0,0.020547518711921064,0.020547518711921064,B,hcp,57.841599566899994,0.0063332576,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",PBE,57.8297169949794,0.00800129164519648,12.0,1.0,0.27141001525950187,0.27141001525950187,B,hcp,57.9866726387,0.0143012971,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",PBE,-12.403775064449999,2.45141127299519e-06,50.0,1.0,-0.00013374194478999704,-0.00013374194478999704,E0,hcp,-12.4037584754,1.4605e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",PBE,-12.403775064449999,2.45141127299519e-06,58.0,1.0,-0.00013743356285146683,-0.00013743356285146683,E0,hcp,-12.4037580175,1.3403000000000001e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,-12.403775064449999,2.45141127299519e-06,62.0,1.0,-8.5808553672437e-06,-8.5808553672437e-06,E0,hcp,-12.4037740001,1.4368000000000004e-06,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,-12.403775064449999,2.45141127299519e-06,54.0,1.0,-2.4295426062676138e-05,-2.4295426062676138e-05,E0,hcp,-12.403772050899999,1.3446e-06,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,-12.403775064449999,2.45141127299519e-06,64.0,1.0,-2.8199076321685356e-05,-2.8199076321685356e-05,E0,hcp,-12.403771566700001,1.2643000000000001e-06,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",PBE,-12.403775064449999,2.45141127299519e-06,24.0,1.0,-0.0003226537871849932,-0.0003226537871849932,E0,hcp,-12.4037350432,7.609999999999998e-07,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",PBE,-12.403775064449999,2.45141127299519e-06,44.0,1.0,-9.852847166329557e-05,-9.852847166329557e-05,E0,hcp,-12.403762843199999,1.433e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",PBE,-12.403775064449999,2.45141127299519e-06,48.0,1.0,-0.00015294819439996135,-0.00015294819439996135,E0,hcp,-12.4037560931,1.3626e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",PBE,-12.403775064449999,2.45141127299519e-06,42.0,1.0,-0.00014493289264398622,-0.00014493289264398622,E0,hcp,-12.4037570873,1.3985e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",PBE,-12.403775064449999,2.45141127299519e-06,28.0,1.0,-5.9180773293616145e-05,5.9180773293616145e-05,E0,hcp,-12.4037824051,1.5894e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",PBE,-12.403775064449999,2.45141127299519e-06,26.0,1.0,-9.716799855849017e-06,-9.716799855849017e-06,E0,hcp,-12.403773859200001,1.8173e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",PBE,-12.403775064449999,2.45141127299519e-06,14.0,1.0,-0.0006536796223646412,-0.0006536796223646412,E0,hcp,-12.403693983499998,2.0021000000000003e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",PBE,-12.403775064449999,2.45141127299519e-06,40.0,1.0,-0.00017165378997930644,-0.00017165378997930644,E0,hcp,-12.4037537729,1.2206e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",PBE,-12.403775064449999,2.45141127299519e-06,8.0,1.0,-0.0352031589359574,-0.0352031589359574,E0,hcp,-12.399408543800002,2.00134e-05,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",PBE,-12.403775064449999,2.45141127299519e-06,46.0,1.0,-0.00013127253528456143,-0.00013127253528456143,E0,hcp,-12.4037587817,1.3456e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",PBE,-12.403775064449999,2.45141127299519e-06,4.0,1.0,-0.010970483122508118,-0.010970483122508118,E0,hcp,-12.4024143104,7.008e-07,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",PBE,-12.403775064449999,2.45141127299519e-06,36.0,1.0,-4.5574431723471894e-05,-4.5574431723471894e-05,E0,hcp,-12.4037694115,1.3091e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",PBE,-12.403775064449999,2.45141127299519e-06,38.0,1.0,-0.00014937508864110543,-0.00014937508864110543,E0,hcp,-12.403756536300001,1.4422e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",PBE,-12.403775064449999,2.45141127299519e-06,30.0,1.0,-0.0001415968115190003,-0.0001415968115190003,E0,hcp,-12.4037575011,1.1972e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",PBE,-12.403775064449999,2.45141127299519e-06,6.0,1.0,-0.04417906340227969,0.04417906340227969,E0,hcp,-12.409254936099998,7.904000000000001e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",PBE,-12.403775064449999,2.45141127299519e-06,60.0,1.0,-0.00012505104227847425,-0.00012505104227847425,E0,hcp,-12.403759553399999,1.3074000000000002e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,-12.403775064449999,2.45141127299519e-06,62.0,1.0,-8.5808553672437e-06,-8.5808553672437e-06,E0,hcp,-12.4037740001,1.4368000000000004e-06,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",PBE,-12.403775064449999,2.45141127299519e-06,34.0,1.0,-0.00014362280762236898,-0.00014362280762236898,E0,hcp,-12.4037572498,1.2329e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",PBE,-12.403775064449999,2.45141127299519e-06,16.0,1.0,-0.00010340118174835814,-0.00010340118174835814,E0,hcp,-12.4037622388,1.8404e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",PBE,-12.403775064449999,2.45141127299519e-06,10.0,1.0,-0.0023920100812634916,-0.0023920100812634916,E0,hcp,-12.4034783649,2.3931e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",PBE,-12.403775064449999,2.45141127299519e-06,32.0,1.0,-0.00017889674621689443,-0.00017889674621689443,E0,hcp,-12.4037528745,1.0523e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",PBE,-12.403775064449999,2.45141127299519e-06,22.0,1.0,-0.0003188783236748075,-0.0003188783236748075,E0,hcp,-12.4037355115,1.4116e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",PBE,-12.403775064449999,2.45141127299519e-06,52.0,1.0,-0.00012672553249086846,-0.00012672553249086846,E0,hcp,-12.4037593457,1.4235e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",PBE,-12.403775064449999,2.45141127299519e-06,56.0,1.0,-0.00015824416274547062,-0.00015824416274547062,E0,hcp,-12.403755436199999,1.2507e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",PBE,-12.403775064449999,2.45141127299519e-06,18.0,1.0,-0.0005192906971047304,0.0005192906971047304,E0,hcp,-12.403839476099998,1.2773e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",PBE,-12.403775064449999,2.45141127299519e-06,8.0,1.0,-0.011679929235022016,-0.011679929235022016,E0,hcp,-12.4023263123,5.0196e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",PBE,-12.403775064449999,2.45141127299519e-06,20.0,1.0,-0.0005335291043079102,0.0005335291043079102,E0,hcp,-12.4038412422,1.3481e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,-12.403775064449999,2.45141127299519e-06,54.0,1.0,-2.4295426062676138e-05,-2.4295426062676138e-05,E0,hcp,-12.403772050899999,1.3446e-06,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,-12.403775064449999,2.45141127299519e-06,64.0,1.0,-2.8199076321685356e-05,-2.8199076321685356e-05,E0,hcp,-12.403771566700001,1.2643000000000001e-06,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",PBE,-12.403775064449999,2.45141127299519e-06,12.0,1.0,-0.005431830603997071,0.005431830603997071,E0,hcp,-12.4044488165,1.5691e-06,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",PBE,3.48732368469407,0.00861043970188711,50.0,1.0,2.735999259968332,2.735999259968332,dB,hcp,3.5827368349,0.012452688100000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",PBE,3.48732368469407,0.00861043970188711,58.0,1.0,2.9244384498503204,2.9244384498503204,dB,hcp,3.5893083194,0.0114292501,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,3.48732368469407,0.00861043970188711,62.0,1.0,0.22929856041256658,0.22929856041256658,dB,hcp,3.4953200677,0.0136807603,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,3.48732368469407,0.00861043970188711,54.0,1.0,0.4480211479795849,0.4480211479795849,dB,hcp,3.5029476323,0.0128052018,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,3.48732368469407,0.00861043970188711,64.0,1.0,0.45541815276959935,0.45541815276959935,dB,hcp,3.5032055898000003,0.0120388048,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",PBE,3.48732368469407,0.00861043970188711,24.0,1.0,2.742972306406984,2.742972306406984,dB,hcp,3.5829800076,0.0064914432000000005,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",PBE,3.48732368469407,0.00861043970188711,44.0,1.0,2.9084776228573075,2.9084776228573075,dB,hcp,3.5887517137,0.0122175602,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",PBE,3.48732368469407,0.00861043970188711,48.0,1.0,2.6544499557703425,2.6544499557703425,dB,hcp,3.5798929467000002,0.011618813300000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",PBE,3.48732368469407,0.00861043970188711,42.0,1.0,2.8469015807644897,2.8469015807644897,dB,hcp,3.5866043577999998,0.0119226512,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",PBE,3.48732368469407,0.00861043970188711,28.0,1.0,2.464377608053017,2.464377608053017,dB,hcp,3.5732645087,0.0135457354,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",PBE,3.48732368469407,0.00861043970188711,26.0,1.0,2.92090092046808,2.92090092046808,dB,hcp,3.5891849543000003,0.0154873519,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",PBE,3.48732368469407,0.00861043970188711,14.0,1.0,1.6134595148963395,1.6134595148963395,dB,hcp,3.5435902405,0.0170784762,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",PBE,3.48732368469407,0.00861043970188711,40.0,1.0,2.6083904286019775,2.6083904286019775,dB,hcp,3.5782867018999998,0.0104072336,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",PBE,3.48732368469407,0.00861043970188711,8.0,1.0,50.59313801978922,-50.59313801978922,dB,hcp,1.7229771997,0.1802213466,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",PBE,3.48732368469407,0.00861043970188711,46.0,1.0,2.9168613900792466,2.9168613900792466,dB,hcp,3.5890440828,0.0114731846,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",PBE,3.48732368469407,0.00861043970188711,4.0,1.0,3.055252486987804,3.055252486987804,dB,hcp,3.5938702283,0.0062416474000000005,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",PBE,3.48732368469407,0.00861043970188711,36.0,1.0,2.673670356874538,2.673670356874538,dB,hcp,3.5805632243,0.0111598923,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",PBE,3.48732368469407,0.00861043970188711,38.0,1.0,2.8376048498237183,2.8376048498237183,dB,hcp,3.5862801507,0.012295848600000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",PBE,3.48732368469407,0.00861043970188711,30.0,1.0,2.805561153825425,2.805561153825425,dB,hcp,3.5851626833,0.0102044407,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",PBE,3.48732368469407,0.00861043970188711,6.0,1.0,0.8071144393468936,0.8071144393468936,dB,hcp,3.5154703777,0.067157298,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",PBE,3.48732368469407,0.00861043970188711,60.0,1.0,2.855582091304104,2.855582091304104,dB,hcp,3.5869070753,0.0111455852,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,3.48732368469407,0.00861043970188711,62.0,1.0,0.22929856041256658,0.22929856041256658,dB,hcp,3.4953200677,0.0136807603,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",PBE,3.48732368469407,0.00861043970188711,34.0,1.0,2.826142825184178,2.826142825184178,dB,hcp,3.5858804328,0.010514333600000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",PBE,3.48732368469407,0.00861043970188711,16.0,1.0,2.9350311058065537,2.9350311058065537,dB,hcp,3.5896777196,0.0156966558,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",PBE,3.48732368469407,0.00861043970188711,10.0,1.0,1.3200430578892095,1.3200430578892095,dB,hcp,3.5333578589,0.0203968481,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",PBE,3.48732368469407,0.00861043970188711,32.0,1.0,2.716051128882788,2.716051128882788,dB,hcp,3.582041179,0.0089737388,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",PBE,3.48732368469407,0.00861043970188711,22.0,1.0,2.6262745212870744,2.6262745212870744,dB,hcp,3.5789103781,0.0120362573,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",PBE,3.48732368469407,0.00861043970188711,52.0,1.0,2.7632299843248878,2.7632299843248878,dB,hcp,3.5836864584,0.0121346985,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",PBE,3.48732368469407,0.00861043970188711,56.0,1.0,2.6960401272352317,2.6960401272352317,dB,hcp,3.5813433306,0.0106623269,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",PBE,3.48732368469407,0.00861043970188711,18.0,1.0,2.722144816168908,2.722144816168908,dB,hcp,3.5822536856,0.0108818115,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",PBE,3.48732368469407,0.00861043970188711,8.0,1.0,2.2828988732921216,2.2828988732921216,dB,hcp,3.5669357578,0.0429996452,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",PBE,3.48732368469407,0.00861043970188711,20.0,1.0,2.733657974576384,2.733657974576384,dB,hcp,3.5826551867000003,0.0114851571,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,3.48732368469407,0.00861043970188711,54.0,1.0,0.4480211479795849,0.4480211479795849,dB,hcp,3.5029476323,0.0128052018,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,3.48732368469407,0.00861043970188711,64.0,1.0,0.45541815276959935,0.45541815276959935,dB,hcp,3.5032055898000003,0.0120388048,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",PBE,3.48732368469407,0.00861043970188711,12.0,1.0,2.1705565083664022,2.1705565083664022,dB,hcp,3.5630180159,0.0133591079,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416649, -12.39932895, -12.40248857, -12.40373164, -12.40314594, -12.40081306, -12.39681141, -12.39121679, -12.38409894, -12.37552668, -12.36556785]",PBE,48.3807775912043,0.000363421015361057,50.0,1.0,0.004675224558827164,0.004675224558827164,v0,hcp,48.383039501199995,0.00014743000000000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416489, -12.39932837, -12.40248818, -12.40373136, -12.40314541, -12.40081197, -12.39680985, -12.39121545, -12.38409816, -12.37552662, -12.3655678]",PBE,48.3807775912043,0.000363421015361057,58.0,1.0,0.004577691608044496,0.004577691608044496,v0,hcp,48.382992314,0.0001353002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,48.3807775912043,0.000363421015361057,62.0,1.0,0.000919376491758451,0.000919376491758451,v0,hcp,48.3812223927,0.0002131425,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,48.3807775912043,0.000363421015361057,54.0,1.0,0.0008091298139249767,0.0008091298139249767,v0,hcp,48.3811690545,0.00019954560000000002,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,48.3807775912043,0.000363421015361057,64.0,1.0,0.00022820798092954676,0.00022820798092954676,v0,hcp,48.380888,0.0001875623,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39414492, -12.3993088, -12.4024678, -12.40370844, -12.40311993, -12.40079008, -12.3967923, -12.39120176, -12.38408771, -12.37551989, -12.36556378]",PBE,48.3807775912043,0.000363421015361057,24.0,1.0,0.004846071544173899,0.004846071544173899,v0,hcp,48.3831221583,7.68713e-05,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416544, -12.39933042, -12.40249169, -12.40373615, -12.40315074, -12.40081756, -12.39681511, -12.39121968, -12.38410141, -12.3755284, -12.36556799]",PBE,48.3807775912043,0.000363421015361057,44.0,1.0,0.004971682588525262,0.004971682588525262,v0,hcp,48.383182929899995,0.0001446428,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416234, -12.39932557, -12.40248573, -12.4037292, -12.40314367, -12.40081162, -12.39681044, -12.39121605, -12.38409851, -12.37552614, -12.36556663]",PBE,48.3807775912043,0.000363421015361057,48.0,1.0,0.004999270198038288,0.004999270198038288,v0,hcp,48.383196276999996,0.000137556,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416437, -12.39932753, -12.40248731, -12.4037305, -12.40314441, -12.40081058, -12.39680856, -12.39121372, -12.38409568, -12.37552275, -12.36556357]",PBE,48.3807775912043,0.000363421015361057,42.0,1.0,0.004532743798027834,0.004532743798027834,v0,hcp,48.3829705679,0.00014114139999999998,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39418244, -12.39934696, -12.40250968, -12.40375523, -12.40317157, -12.40084008, -12.3968389, -12.39124385, -12.38412427, -12.37555028, -12.36558803]",PBE,48.3807775912043,0.000363421015361057,28.0,1.0,0.005855916619694887,0.005855916619694887,v0,hcp,48.3836107292,0.0001604174,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417906, -12.39934282, -12.40250328, -12.40374708, -12.40316116, -12.400826349999999, -12.39682143, -12.39122339, -12.38410146, -12.37552561, -12.36556358]",PBE,48.3807775912043,0.000363421015361057,26.0,1.0,0.004251833885515663,0.004251833885515663,v0,hcp,48.3828346615,0.0001833518,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39409304, -12.39925368, -12.40241585, -12.40366524, -12.40308926, -12.40076491, -12.39677161, -12.39118496, -12.38407448, -12.37550916, -12.36555671]",PBE,48.3807775912043,0.000363421015361057,14.0,1.0,0.008724483164281304,0.008724483164281304,v0,hcp,48.38499856399999,0.0002024409,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416024, -12.39932352, -12.4024838, -12.40372697, -12.40314105, -12.40080949, -12.39680932, -12.39121593, -12.384098999999999, -12.37552707, -12.36556816]",PBE,48.3807775912043,0.000363421015361057,40.0,1.0,0.005115589328926674,0.005115589328926674,v0,hcp,48.38325255310001,0.00012322640000000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38868278, -12.39392409, -12.39748079, -12.39923851, -12.39915081, -12.39752325, -12.39419939, -12.38925113, -12.38274747, -12.37477243, -12.365364]",PBE,48.3807775912043,0.000363421015361057,8.0,1.0,0.3326079263450149,0.3326079263450149,v0,hcp,48.5416958923,0.0023181254,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416167, -12.39932646, -12.40248772, -12.40373195, -12.40314704, -12.4008142, -12.39681257, -12.39121852, -12.38410172, -12.37553011, -12.36557112]",PBE,48.3807775912043,0.000363421015361057,46.0,1.0,0.0051254107915539885,0.0051254107915539885,v0,hcp,48.3832573048,0.0001358454,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Sc,"[-12.38749547, -12.39427996, -12.39896619, -12.40164362, -12.40240776, -12.4013442, -12.39853523, -12.3940619, -12.3879935, -12.38040234, -12.37135874]",PBE,48.3807775912043,0.000363421015361057,4.0,1.0,0.757116233208895,0.757116233208895,v0,hcp,48.7470763121,8.888510000000001e-05,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39417461, -12.39933856, -12.40249894, -12.40374253, -12.40315721, -12.40082415, -12.39682249, -12.391227839999999, -12.38410949, -12.37553619, -12.36557532]",PBE,48.3807775912043,0.000363421015361057,36.0,1.0,0.0049599266799086345,0.0049599266799086345,v0,hcp,48.38317724229999,0.0001321324,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39415803, -12.39932316, -12.4024845, -12.40372948, -12.40314532, -12.40081326, -12.39681236, -12.39121822, -12.38410138, -12.37553012, -12.365571450000001]",PBE,48.3807775912043,0.000363421015361057,38.0,1.0,0.005461277861266407,0.005461277861266407,v0,hcp,48.3834197999,0.00014559920000000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416045, -12.39932564, -12.40248676, -12.40373047, -12.40314533, -12.40081306, -12.39681187, -12.39121764, -12.38410056, -12.3755287, -12.36556867]",PBE,48.3807775912043,0.000363421015361057,30.0,1.0,0.005191939900020162,0.005191939900020162,v0,hcp,48.3832894921,0.000120843,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.40001164, -12.40506132, -12.40811139, -12.40924766, -12.40855636, -12.40612357, -12.40202797, -12.39634613, -12.38914671, -12.38051978, -12.37041576]",PBE,48.3807775912043,0.000363421015361057,6.0,1.0,0.052095720571647325,-0.052095720571647325,v0,hcp,48.355573276499996,0.0007849416,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416396, -12.39932857, -12.40248919, -12.4037327, -12.40314705, -12.40081401, -12.39681186, -12.39121703, -12.38409908, -12.37552628, -12.36556622]",PBE,48.3807775912043,0.000363421015361057,60.0,1.0,0.004845187515400849,0.004845187515400849,v0,hcp,48.3831217306,0.00013197760000000002,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +21,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802467, -12.38895779, -12.39557797, -12.40019629, -12.40290153, -12.40377624, -12.40290342, -12.40035976, -12.39621553, -12.39054737, -12.38341772]",PBE,48.3807775912043,0.000363421015361057,62.0,1.0,0.000919376491758451,0.000919376491758451,v0,hcp,48.3812223927,0.0002131425,"[45.9651815881, 46.4490256048, 46.932869621500004, 47.4167136383, 47.900557655, 48.3844016717, 48.8682456884, 49.3520897051, 49.8359337219, 50.3197777386, 50.8036217553]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416911, -12.399331, -12.40248916, -12.40373043, -12.40314363, -12.40081008, -12.39680827, -12.39121396, -12.38409675, -12.37552539, -12.36556706]",PBE,48.3807775912043,0.000363421015361057,34.0,1.0,0.004094339724010972,0.004094339724010972,v0,hcp,48.3827584646,0.00012446379999999998,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39419324, -12.39935293, -12.40250554, -12.40373654, -12.40313557, -12.40080644, -12.39680123, -12.39120175, -12.38408168, -12.37550741, -12.36554676]",PBE,48.3807775912043,0.000363421015361057,16.0,1.0,0.0007572182878053205,0.0007572182878053205,v0,hcp,48.3811439393,0.0001856602,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39388432, -12.39904497, -12.40220195, -12.40344992, -12.40287052, -12.40054153, -12.39654121, -12.3909455, -12.38382483, -12.37524793, -12.36528438]",PBE,48.3807775912043,0.000363421015361057,10.0,1.0,0.006631875830550225,0.006631875830550225,v0,hcp,48.3839861443,0.0002416524,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3941595, -12.39932301, -12.40248335, -12.40372646, -12.40313977, -12.40080822, -12.39680812, -12.39121549, -12.38409972, -12.37552873, -12.36557026]",PBE,48.3807775912043,0.000363421015361057,32.0,1.0,0.005039184604053037,0.005039184604053037,v0,hcp,48.3832155879,0.00010625600000000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +26,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39412978, -12.39929631, -12.40246032, -12.40370838, -12.40312695, -12.40079715, -12.39679887, -12.39120754, -12.38409365, -12.37552406, -12.3655662]",PBE,48.3807775912043,0.000363421015361057,22.0,1.0,0.0070341748627078616,0.0070341748627078616,v0,hcp,48.3841807797,0.0001425718,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416462, -12.3993286, -12.40248877, -12.40373234, -12.40314704, -12.40081421, -12.39681225, -12.39121721, -12.38409893, -12.375526, -12.36556615]",PBE,48.3807775912043,0.000363421015361057,52.0,1.0,0.004871712512789013,0.004871712512789013,v0,hcp,48.383134563599995,0.0001436701,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39416098, -12.39932482, -12.40248514, -12.40372854, -12.40314301, -12.40081089, -12.39680997, -12.39121618, -12.38409893, -12.37552694, -12.36556758]",PBE,48.3807775912043,0.000363421015361057,56.0,1.0,0.005058211995647034,0.005058211995647034,v0,hcp,48.383224793500005,0.0001262698,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39425135, -12.39941466, -12.40257313, -12.40381335, -12.40322332, -12.40088476, -12.39687557, -12.39127308, -12.38414651, -12.37556333, -12.36559154]",PBE,48.3807775912043,0.000363421015361057,18.0,1.0,0.0025845510509639774,0.0025845510509639774,v0,hcp,48.3820280171,0.0001287564,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39274401, -12.39790987, -12.40106427, -12.40230142, -12.4017102, -12.39939487, -12.39543355, -12.38987999, -12.38280209, -12.3742688, -12.36434858]",PBE,48.3807775912043,0.000363421015361057,8.0,1.0,0.009369729924559887,0.009369729924559887,v0,hcp,48.3853107394,0.0005097705000000001,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39423684, -12.399405699999999, -12.40256864, -12.4038137, -12.40322935, -12.4008967, -12.39689387, -12.39129666, -12.38417526, -12.37559855, -12.36563383]",PBE,48.3807775912043,0.000363421015361057,20.0,1.0,0.005580391283723877,0.005580391283723877,v0,hcp,48.3834774279,0.000136028,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.38031019, -12.38900849, -12.39561588, -12.40022052, -12.40291235, -12.40377412, -12.40288864, -12.40033188, -12.39617704, -12.39049705, -12.3833565]",PBE,48.3807775912043,0.000363421015361057,54.0,1.0,0.0008091298139249767,0.0008091298139249767,v0,hcp,48.3811690545,0.00019954560000000002,"[45.968543037, 46.4524224374, 46.9363018378, 47.4201812382, 47.9040606386, 48.387940039, 48.8718194394, 49.3556988398, 49.8395782402, 50.3234576406, 50.8073370409]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.3802507, -12.38896173, -12.39558019, -12.40019696, -12.40290033, -12.4037737, -12.4028997, -12.4003542, -12.39621201, -12.3905421, -12.3834133]",PBE,48.3807775912043,0.000363421015361057,64.0,1.0,0.00022820798092954676,0.00022820798092954676,v0,hcp,48.380888,0.0001875623,"[45.9652306381, 46.4490751712, 46.9329197042, 47.4167642372, 47.9006087703, 48.3844533033, 48.8682978363, 49.3521423694, 49.8359869024, 50.3198314354, 50.8036759685]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Sc,"[-12.39477743, -12.39996825, -12.40315303, -12.40441825, -12.40385148, -12.40153351, -12.39754029, -12.39195156, -12.38483573, -12.37626213, -12.36629475]",PBE,48.3807775912043,0.000363421015361057,12.0,1.0,0.015576787664259146,0.015576787664259146,v0,hcp,48.3883137622,0.0001585915,"[46.8199224597, 47.3127637487, 47.8056050378, 48.2984463268, 48.7912876159, 49.2841289049, 49.776970194, 50.269811483, 50.7626527721, 51.2554940611, 51.7483353502]" +0,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ta,"[-11.833075879999999, -11.84458362, -11.8533698, -11.85965454, -11.86332792, -11.86463151, -11.86366483, -11.86055004, -11.85533793, -11.84816533, -11.83911799]",PBE,201.09646056445203,0.0227196343152664,12.0,1.0,0.18967081886048254,-0.18967081886048254,B,FindHistory,200.715039261,0.1863660318,"[17.1796808165, 17.360519562, 17.5413583074, 17.7221970529, 17.9030357983, 18.0838745437, 18.2647132892, 18.4455520346, 18.62639078, 18.8072295255, 18.9880682709]" +1,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ta,"[-11.83141347, -11.84288369, -11.85160439, -11.85769791, -11.86129345, -11.86249977, -11.86143155, -11.85819263, -11.85288412, -11.84559724, -11.83642041]",PBE,201.09646056445203,0.0227196343152664,36.0,1.0,0.040924174011331395,-0.040924174011331395,B,FindHistory,201.014163499,0.0125464091,"[17.2025962583, 17.3836762189, 17.5647561795, 17.7458361401, 17.9269161007, 18.1079960613, 18.2890760219, 18.4701559826, 18.6512359432, 18.8323159038, 19.0133958644]" +2,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ta,"[-11.83148446, -11.84297621, -11.85173501, -11.85787564, -11.86151454, -11.86275229, -11.86171345, -11.85848523, -11.85318815, -11.84590077, -11.83671303]",PBE,201.09646056445203,0.0227196343152664,16.0,1.0,0.18634683041965477,0.18634683041965477,B,FindHistory,201.4711974448,0.0462799222,"[17.202922479, 17.3840058735, 17.565089268, 17.7461726625, 17.9272560571, 18.1083394516, 18.2894228461, 18.4705062406, 18.6515896351, 18.8326730296, 19.0137564242]" +3,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ta,"[-11.83137226, -11.84286348, -11.85159901, -11.85771048, -11.8613396, -11.86257045, -11.86152421, -11.85829871, -11.852998, -11.84571876, -11.83655438]",PBE,201.09646056445203,0.0227196343152664,18.0,1.0,0.03360224225643118,0.03360224225643118,B,FindHistory,201.1640334843,0.0383567433,"[17.1996714085, 17.3807205812, 17.5617697539, 17.7428189267, 17.9238680994, 18.1049172721, 18.2859664448, 18.4670156175, 18.6480647903, 18.829113963, 19.0101631357]" +4,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ta,"[-11.83140244, -11.84288112, -11.851600789999999, -11.85770322, -11.86129722, -11.8625034, -11.86143807, -11.85819343, -11.85287963, -11.84558874, -11.83641103]",PBE,201.09646056445203,0.0227196343152664,34.0,1.0,0.012366193904249414,0.012366193904249414,B,FindHistory,201.1213285427,0.0200797485,"[17.202718666, 17.3837999151, 17.5648811642, 17.7459624133, 17.9270436624, 18.1081249115, 18.2892061607, 18.4702874098, 18.6513686589, 18.832449908, 19.0135311571]" +5,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ta,"[-11.88207394, -11.89001509, -11.8955212, -11.89863067, -11.90223516, -11.90103555, -11.8980804, -11.8931066, -11.88635149, -11.87774117, -11.867313]",PBE,201.09646056445203,0.0227196343152664,6.0,1.0,8.29889394716782,-8.29889394716782,B,FindHistory,184.4076785707,4.4400940831,"[17.2663487851, 17.4480998249, 17.6298508648, 17.8116019046, 17.9933529445, 18.1751039843, 18.3568550242, 18.538606064, 18.7203571038, 18.9021081437, 19.0838591835]" +6,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ta,"[-11.83144853, -11.84291044, -11.85162522, -11.85772089, -11.86130961, -11.86251371, -11.861441169999999, -11.85819696, -11.85287849, -11.84558202, -11.8363984]",PBE,201.09646056445203,0.0227196343152664,40.0,1.0,0.003679669364275424,-0.003679669364275424,B,FindHistory,201.0890608796,0.021253826,"[17.203152569, 17.3842383855, 17.565324202, 17.7464100185, 17.927495835, 18.1085816516, 18.2896674681, 18.4707532846, 18.6518391011, 18.8329249176, 19.0140107341]" +7,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ta,"[-11.83367559, -11.84544883, -11.8544296, -11.86074125, -11.86453552, -11.86589956, -11.86497895, -11.86185368, -11.85663469, -11.8494333, -11.84033243]",PBE,201.09646056445203,0.0227196343152664,10.0,1.0,0.8419635114887102,0.8419635114887102,B,FindHistory,202.7896193853,0.0327712134,"[17.1942765045, 17.3752688887, 17.556261273, 17.7372536572, 17.9182460415, 18.0992384258, 18.28023081, 18.4612231943, 18.6422155785, 18.8232079628, 19.004200347]" +8,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ta,"[-11.91749038, -11.92944756, -11.93856869, -11.94499059, -11.94882401, -11.95018632, -11.94921454, -11.94602966, -11.94070104, -11.93335581, -11.92411623]",PBE,201.09646056445203,0.0227196343152664,4.0,1.0,3.3477716016241286,3.3477716016241286,B,FindHistory,207.82871076310002,0.07159376190000001,"[17.0639309789, 17.243551305, 17.4231716311, 17.6027919572, 17.7824122832, 17.9620326093, 18.1416529354, 18.3212732615, 18.5008935876, 18.6805139137, 18.8601342398]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ta,"[-11.83133671, -11.84280935, -11.85152931, -11.85762729, -11.86122251, -11.86243651, -11.8613709, -11.85813313, -11.85282351, -11.8455398, -11.83636511]",PBE,201.09646056445203,0.0227196343152664,28.0,1.0,0.0374220831837511,-0.0374220831837511,B,FindHistory,201.02120607970002,0.0164150889,"[17.2022456741, 17.3833219444, 17.5643982146, 17.7454744849, 17.9265507551, 18.1076270254, 18.2887032956, 18.4697795659, 18.6508558362, 18.8319321064, 19.0130083767]" +10,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ta,"[-11.83137469, -11.84286961, -11.85161463, -11.85772808, -11.86133904, -11.86256802, -11.86151142, -11.85826763, -11.85295332, -11.8456571, -11.83647146]",PBE,201.09646056445203,0.0227196343152664,20.0,1.0,0.1690757458851396,0.1690757458851396,B,FindHistory,201.4364659051,0.0324407122,"[17.2011185218, 17.3821829273, 17.5632473328, 17.7443117383, 17.9253761438, 18.1064405493, 18.2875049547, 18.4685693602, 18.6496337657, 18.8306981712, 19.0117625767]" +11,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ta,"[-11.83132851, -11.84282041, -11.8515505, -11.85766026, -11.86126335, -11.86247793, -11.86141424, -11.85817345, -11.8528606, -11.84557194, -11.83639836]",PBE,201.09646056445203,0.0227196343152664,26.0,1.0,0.05708098378547534,0.05708098378547534,B,FindHistory,201.2112484025,0.0249653945,"[17.2028107506, 17.383892969, 17.5649751874, 17.7460574059, 17.9271396243, 18.1082218427, 18.2893040611, 18.4703862796, 18.651468498, 18.8325507164, 19.0136329348]" +12,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ta,"[-11.83143422, -11.84290014, -11.85161433, -11.85770684, -11.86130089, -11.8625051, -11.86143432, -11.8581846, -11.85286304, -11.84556495, -11.83638058]",PBE,201.09646056445203,0.0227196343152664,38.0,1.0,0.02155263177000623,0.02155263177000623,B,FindHistory,201.1398021441,0.026789757200000004,"[17.2031635786, 17.384249511, 17.5653354434, 17.7464213758, 17.9275073082, 18.1085932406, 18.289679173, 18.4707651054, 18.6518510378, 18.8329369702, 19.0140229026]" +13,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ta,"[-11.83142123, -11.84288386, -11.8516052, -11.8576979, -11.86129374, -11.86250223, -11.86143448, -11.85818881, -11.85286793, -11.84557245, -11.8363881]",PBE,201.09646056445203,0.0227196343152664,30.0,1.0,0.019573479681082445,0.019573479681082445,B,FindHistory,201.1358221393,0.0275254959,"[17.2032709136, 17.3843579758, 17.565445038100002, 17.7465321003, 17.9276191626, 18.1087062248, 18.2897932871, 18.4708803493, 18.6519674115, 18.8330544738, 19.014141536]" +14,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ta,"[-11.83138338, -11.84285477, -11.8515775, -11.85768097, -11.86127957, -11.86248913, -11.86142072, -11.85817753, -11.85286334, -11.84557156, -11.83638801]",PBE,201.09646056445203,0.0227196343152664,32.0,1.0,0.03225658326649236,0.03225658326649236,B,FindHistory,201.16132741169997,0.025995078,"[17.2026811331, 17.3837619872, 17.5648428412, 17.7459236952, 17.9270045493, 18.1080854033, 18.2891662573, 18.4702471114, 18.6513279654, 18.8324088194, 19.0134896735]" +15,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ta,"[-11.83120903, -11.84266923, -11.85138236, -11.85748345, -11.8610934, -11.86231526, -11.86126384, -11.8580485, -11.85276072, -11.84548656, -11.836332670000001]",PBE,201.09646056445203,0.0227196343152664,22.0,1.0,0.18815786329106657,-0.18815786329106657,B,FindHistory,200.7180817611,0.020296339,"[17.2024253296, 17.383503491, 17.5645816524, 17.7456598137, 17.9267379751, 18.1078161365, 18.2888942978, 18.4699724592, 18.6510506205, 18.8321287819, 19.0132069433]" +16,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ta,"[-11.84882818, -11.86030873, -11.86906105, -11.87521493, -11.87890446, -11.88021922, -11.87929059, -11.87621514, -11.87107106, -11.86399222, -11.85503705]",PBE,201.09646056445203,0.0227196343152664,8.0,1.0,0.8036063502142554,-0.8036063502142554,B,FindHistory,199.4804366373,0.0320238234,"[17.1212313065, 17.301454794, 17.4816782814, 17.6619017688, 17.8421252563, 18.0223487437, 18.2025722311, 18.3827957186, 18.563019206, 18.7432426935, 18.9234661809]" +17,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ta,"[-11.83239168, -11.84391012, -11.85267957, -11.85882764, -11.86246801, -11.8637234, -11.86270436, -11.85950641, -11.85423769, -11.84699232, -11.83786028]",PBE,201.09646056445203,0.0227196343152664,14.0,1.0,0.014470805040694184,-0.014470805040694184,B,FindHistory,201.0673602877,0.0243911775,"[17.1950343671, 17.3760347288, 17.5570350906, 17.7380354524, 17.9190358141, 18.1000361759, 18.2810365376, 18.4620368994, 18.6430372611, 18.8240376229, 19.0050379847]" +18,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ta,"[-11.83131213, -11.84280388, -11.851538829999999, -11.85764827, -11.86125234, -11.86247026, -11.86140866, -11.85817071, -11.85285689, -11.84555869, -11.83637866]",PBE,201.09646056445203,0.0227196343152664,24.0,1.0,0.10664761724099489,0.10664761724099489,B,FindHistory,201.310925148,0.0189653614,"[17.2017552014, 17.3828263088, 17.5638974161, 17.7449685235, 17.9260396309, 18.1071107383, 18.2881818457, 18.469252953, 18.6503240604, 18.8313951678, 19.0124662752]" +0,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ta,"[-11.83137226, -11.84286348, -11.85159901, -11.85771048, -11.8613396, -11.86257045, -11.86152421, -11.85829871, -11.852998, -11.84571876, -11.83655438]",PBE,-11.862523595295901,1.0406254968646e-05,18.0,1.0,-0.0003590947891998709,0.0003590947891998709,E0,FindHistory,-11.862566193,2.8456e-06,"[17.1996714085, 17.3807205812, 17.5617697539, 17.7428189267, 17.9238680994, 18.1049172721, 18.2859664448, 18.4670156175, 18.6480647903, 18.829113963, 19.0101631357]" +1,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ta,"[-11.83148446, -11.84297621, -11.85173501, -11.85787564, -11.86151454, -11.86275229, -11.86171345, -11.85848523, -11.85318815, -11.84590077, -11.83671303]",PBE,-11.862523595295901,1.0406254968646e-05,16.0,1.0,-0.0019034702210277933,0.0019034702210277933,E0,FindHistory,-11.8627493949,3.4322000000000008e-06,"[17.202922479, 17.3840058735, 17.565089268, 17.7461726625, 17.9272560571, 18.1083394516, 18.2894228461, 18.4705062406, 18.6515896351, 18.8326730296, 19.0137564242]" +2,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ta,"[-11.83141347, -11.84288369, -11.85160439, -11.85769791, -11.86129345, -11.86249977, -11.86143155, -11.85819263, -11.85288412, -11.84559724, -11.83642041]",PBE,-11.862523595295901,1.0406254968646e-05,36.0,1.0,-0.0002091611932494107,-0.0002091611932494107,E0,FindHistory,-11.8624987835,9.323000000000001e-07,"[17.2025962583, 17.3836762189, 17.5647561795, 17.7458361401, 17.9269161007, 18.1079960613, 18.2890760219, 18.4701559826, 18.6512359432, 18.8323159038, 19.0133958644]" +3,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ta,"[-11.83140244, -11.84288112, -11.851600789999999, -11.85770322, -11.86129722, -11.8625034, -11.86143807, -11.85819343, -11.85287963, -11.84558874, -11.83641103]",PBE,-11.862523595295901,1.0406254968646e-05,34.0,1.0,-0.00017260910577087478,-0.00017260910577087478,E0,FindHistory,-11.862503119500001,1.4922e-06,"[17.202718666, 17.3837999151, 17.5648811642, 17.7459624133, 17.9270436624, 18.1081249115, 18.2892061607, 18.4702874098, 18.6513686589, 18.832449908, 19.0135311571]" +4,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ta,"[-11.88207394, -11.89001509, -11.8955212, -11.89863067, -11.90223516, -11.90103555, -11.8980804, -11.8931066, -11.88635149, -11.87774117, -11.867313]",PBE,-11.862523595295901,1.0406254968646e-05,6.0,1.0,-0.32638907811701295,0.32638907811701295,E0,FindHistory,-11.9012415767,0.00031993040000000004,"[17.2663487851, 17.4480998249, 17.6298508648, 17.8116019046, 17.9933529445, 18.1751039843, 18.3568550242, 18.538606064, 18.7203571038, 18.9021081437, 19.0838591835]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ta,"[-11.83144853, -11.84291044, -11.85162522, -11.85772089, -11.86130961, -11.86251371, -11.861441169999999, -11.85819696, -11.85287849, -11.84558202, -11.8363984]",PBE,-11.862523595295901,1.0406254968646e-05,40.0,1.0,-9.878838853937068e-05,-9.878838853937068e-05,E0,FindHistory,-11.862511876500001,1.58e-06,"[17.203152569, 17.3842383855, 17.565324202, 17.7464100185, 17.927495835, 18.1085816516, 18.2896674681, 18.4707532846, 18.6518391011, 18.8329249176, 19.0140107341]" +6,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ta,"[-11.83367559, -11.84544883, -11.8544296, -11.86074125, -11.86453552, -11.86589956, -11.86497895, -11.86185368, -11.85663469, -11.8494333, -11.84033243]",PBE,-11.862523595295901,1.0406254968646e-05,10.0,1.0,-0.028545860220179492,0.028545860220179492,E0,FindHistory,-11.8659098547,2.4014e-06,"[17.1942765045, 17.3752688887, 17.556261273, 17.7372536572, 17.9182460415, 18.0992384258, 18.28023081, 18.4612231943, 18.6422155785, 18.8232079628, 19.004200347]" +7,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ta,"[-11.91749038, -11.92944756, -11.93856869, -11.94499059, -11.94882401, -11.95018632, -11.94921454, -11.94602966, -11.94070104, -11.93335581, -11.92411623]",PBE,-11.862523595295901,1.0406254968646e-05,4.0,1.0,-0.7390254341737554,0.7390254341737554,E0,FindHistory,-11.9501906618,5.2159e-06,"[17.0639309789, 17.243551305, 17.4231716311, 17.6027919572, 17.7824122832, 17.9620326093, 18.1416529354, 18.3212732615, 18.5008935876, 18.6805139137, 18.8601342398]" +8,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ta,"[-11.83133671, -11.84280935, -11.85152931, -11.85762729, -11.86122251, -11.86243651, -11.8613709, -11.85813313, -11.85282351, -11.8455398, -11.83636511]",PBE,-11.862523595295901,1.0406254968646e-05,28.0,1.0,-0.0007594698984335142,-0.0007594698984335142,E0,FindHistory,-11.862433503,1.2196e-06,"[17.2022456741, 17.3833219444, 17.5643982146, 17.7454744849, 17.9265507551, 18.1076270254, 18.2887032956, 18.4697795659, 18.6508558362, 18.8319321064, 19.0130083767]" +9,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ta,"[-11.83137469, -11.84286961, -11.85161463, -11.85772808, -11.86133904, -11.86256802, -11.86151142, -11.85826763, -11.85295332, -11.8456571, -11.83647146]",PBE,-11.862523595295901,1.0406254968646e-05,20.0,1.0,-0.00033253045849472265,0.00033253045849472265,E0,FindHistory,-11.862563041800001,2.4088e-06,"[17.2011185218, 17.3821829273, 17.5632473328, 17.7443117383, 17.9253761438, 18.1064405493, 18.2875049547, 18.4685693602, 18.6496337657, 18.8306981712, 19.0117625767]" +10,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ta,"[-11.83132851, -11.84282041, -11.8515505, -11.85766026, -11.86126335, -11.86247793, -11.86141424, -11.85817345, -11.8528606, -11.84557194, -11.83639836]",PBE,-11.862523595295901,1.0406254968646e-05,26.0,1.0,-0.0004096573171021537,-0.0004096573171021537,E0,FindHistory,-11.8624749996,1.8546e-06,"[17.2028107506, 17.383892969, 17.5649751874, 17.7460574059, 17.9271396243, 18.1082218427, 18.2893040611, 18.4703862796, 18.651468498, 18.8325507164, 19.0136329348]" +11,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ta,"[-11.83143422, -11.84290014, -11.85161433, -11.85770684, -11.86130089, -11.8625051, -11.86143432, -11.8581846, -11.85286304, -11.84556495, -11.83638058]",PBE,-11.862523595295901,1.0406254968646e-05,38.0,1.0,-0.00018014544484710454,-0.00018014544484710454,E0,FindHistory,-11.8625022255,1.9917e-06,"[17.2031635786, 17.384249511, 17.5653354434, 17.7464213758, 17.9275073082, 18.1085932406, 18.289679173, 18.4707651054, 18.6518510378, 18.8329369702, 19.0140229026]" +12,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ta,"[-11.83142123, -11.84288386, -11.8516052, -11.8576979, -11.86129374, -11.86250223, -11.86143448, -11.85818881, -11.85286793, -11.84557245, -11.8363881]",PBE,-11.862523595295901,1.0406254968646e-05,30.0,1.0,-0.00020311694815311942,-0.00020311694815311942,E0,FindHistory,-11.8624995005,2.0459e-06,"[17.2032709136, 17.3843579758, 17.565445038100002, 17.7465321003, 17.9276191626, 18.1087062248, 18.2897932871, 18.4708803493, 18.6519674115, 18.8330544738, 19.014141536]" +13,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ta,"[-11.83138338, -11.84285477, -11.8515775, -11.85768097, -11.86127957, -11.86248913, -11.86142072, -11.85817753, -11.85286334, -11.84557156, -11.83638801]",PBE,-11.862523595295901,1.0406254968646e-05,32.0,1.0,-0.00031725623641175343,-0.00031725623641175343,E0,FindHistory,-11.862485960699999,1.9317e-06,"[17.2026811331, 17.3837619872, 17.5648428412, 17.7459236952, 17.9270045493, 18.1080854033, 18.2891662573, 18.4702471114, 18.6513279654, 18.8324088194, 19.0134896735]" +14,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ta,"[-11.83120903, -11.84266923, -11.85138236, -11.85748345, -11.8610934, -11.86231526, -11.86126384, -11.8580485, -11.85276072, -11.84548656, -11.836332670000001]",PBE,-11.862523595295901,1.0406254968646e-05,22.0,1.0,-0.0017664107828077257,-0.0017664107828077257,E0,FindHistory,-11.8623140544,1.5065e-06,"[17.2024253296, 17.383503491, 17.5645816524, 17.7456598137, 17.9267379751, 18.1078161365, 18.2888942978, 18.4699724592, 18.6510506205, 18.8321287819, 19.0132069433]" +15,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ta,"[-11.84882818, -11.86030873, -11.86906105, -11.87521493, -11.87890446, -11.88021922, -11.87929059, -11.87621514, -11.87107106, -11.86399222, -11.85503705]",PBE,-11.862523595295901,1.0406254968646e-05,8.0,1.0,-0.14923253270593437,0.14923253270593437,E0,FindHistory,-11.8802263397,2.3428000000000003e-06,"[17.1212313065, 17.301454794, 17.4816782814, 17.6619017688, 17.8421252563, 18.0223487437, 18.2025722311, 18.3827957186, 18.563019206, 18.7432426935, 18.9234661809]" +16,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ta,"[-11.83239168, -11.84391012, -11.85267957, -11.85882764, -11.86246801, -11.8637234, -11.86270436, -11.85950641, -11.85423769, -11.84699232, -11.83786028]",PBE,-11.862523595295901,1.0406254968646e-05,14.0,1.0,-0.010114663161344474,0.010114663161344474,E0,FindHistory,-11.8637234496,1.8051e-06,"[17.1950343671, 17.3760347288, 17.5570350906, 17.7380354524, 17.9190358141, 18.1000361759, 18.2810365376, 18.4620368994, 18.6430372611, 18.8240376229, 19.0050379847]" +17,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ta,"[-11.83131213, -11.84280388, -11.851538829999999, -11.85764827, -11.86125234, -11.86247026, -11.86140866, -11.85817071, -11.85285689, -11.84555869, -11.83637866]",PBE,-11.862523595295901,1.0406254968646e-05,24.0,1.0,-0.00046118176677220103,-0.00046118176677220103,E0,FindHistory,-11.8624688875,1.4086000000000004e-06,"[17.2017552014, 17.3828263088, 17.5638974161, 17.7449685235, 17.9260396309, 18.1071107383, 18.2881818457, 18.469252953, 18.6503240604, 18.8313951678, 19.0124662752]" +18,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ta,"[-11.833075879999999, -11.84458362, -11.8533698, -11.85965454, -11.86332792, -11.86463151, -11.86366483, -11.86055004, -11.85533793, -11.84816533, -11.83911799]",PBE,-11.862523595295901,1.0406254968646e-05,12.0,1.0,-0.01778058932532924,0.01778058932532924,E0,FindHistory,-11.8646328219,1.3703499999999997e-05,"[17.1796808165, 17.360519562, 17.5413583074, 17.7221970529, 17.9030357983, 18.0838745437, 18.2647132892, 18.4455520346, 18.62639078, 18.8072295255, 18.9880682709]" +0,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ta,"[-11.833075879999999, -11.84458362, -11.8533698, -11.85965454, -11.86332792, -11.86463151, -11.86366483, -11.86055004, -11.85533793, -11.84816533, -11.83911799]",PBE,3.6881332034792202,0.00572837190625391,12.0,1.0,1.3430148274605092,-1.3430148274605092,dB,FindHistory,3.6386010277,0.1000428719,"[17.1796808165, 17.360519562, 17.5413583074, 17.7221970529, 17.9030357983, 18.0838745437, 18.2647132892, 18.4455520346, 18.62639078, 18.8072295255, 18.9880682709]" +1,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ta,"[-11.83141347, -11.84288369, -11.85160439, -11.85769791, -11.86129345, -11.86249977, -11.86143155, -11.85819263, -11.85288412, -11.84559724, -11.83642041]",PBE,3.6881332034792202,0.00572837190625391,36.0,1.0,0.5812021892419307,0.5812021892419307,dB,FindHistory,3.7095687144,0.0068095673,"[17.2025962583, 17.3836762189, 17.5647561795, 17.7458361401, 17.9269161007, 18.1079960613, 18.2890760219, 18.4701559826, 18.6512359432, 18.8323159038, 19.0133958644]" +2,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ta,"[-11.83148446, -11.84297621, -11.85173501, -11.85787564, -11.86151454, -11.86275229, -11.86171345, -11.85848523, -11.85318815, -11.84590077, -11.83671303]",PBE,3.6881332034792202,0.00572837190625391,16.0,1.0,2.47417837818704,-2.47417837818704,dB,FindHistory,3.5968822092000003,0.0249938164,"[17.202922479, 17.3840058735, 17.565089268, 17.7461726625, 17.9272560571, 18.1083394516, 18.2894228461, 18.4705062406, 18.6515896351, 18.8326730296, 19.0137564242]" +3,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ta,"[-11.83140244, -11.84288112, -11.851600789999999, -11.85770322, -11.86129722, -11.8625034, -11.86143807, -11.85819343, -11.85287963, -11.84558874, -11.83641103]",PBE,3.6881332034792202,0.00572837190625391,34.0,1.0,0.7290482647268388,0.7290482647268388,dB,FindHistory,3.7150214746,0.010891089,"[17.202718666, 17.3837999151, 17.5648811642, 17.7459624133, 17.9270436624, 18.1081249115, 18.2892061607, 18.4702874098, 18.6513686589, 18.832449908, 19.0135311571]" +4,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ta,"[-11.88207394, -11.89001509, -11.8955212, -11.89863067, -11.90223516, -11.90103555, -11.8980804, -11.8931066, -11.88635149, -11.87774117, -11.867313]",PBE,3.6881332034792202,0.00572837190625391,6.0,1.0,101.55590043889593,-101.55590043889593,dB,FindHistory,-0.0573836807,2.1277078604,"[17.2663487851, 17.4480998249, 17.6298508648, 17.8116019046, 17.9933529445, 18.1751039843, 18.3568550242, 18.538606064, 18.7203571038, 18.9021081437, 19.0838591835]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ta,"[-11.83144853, -11.84291044, -11.85162522, -11.85772089, -11.86130961, -11.86251371, -11.861441169999999, -11.85819696, -11.85287849, -11.84558202, -11.8363984]",PBE,3.6881332034792202,0.00572837190625391,40.0,1.0,0.02442650444213337,0.02442650444213337,dB,FindHistory,3.6890340855,0.0115370612,"[17.203152569, 17.3842383855, 17.565324202, 17.7464100185, 17.927495835, 18.1085816516, 18.2896674681, 18.4707532846, 18.6518391011, 18.8329249176, 19.0140107341]" +6,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ta,"[-11.83137226, -11.84286348, -11.85159901, -11.85771048, -11.8613396, -11.86257045, -11.86152421, -11.85829871, -11.852998, -11.84571876, -11.83655438]",PBE,3.6881332034792202,0.00572837190625391,18.0,1.0,0.9767424437175207,-0.9767424437175207,dB,FindHistory,3.6521096411,0.020759985800000002,"[17.1996714085, 17.3807205812, 17.5617697539, 17.7428189267, 17.9238680994, 18.1049172721, 18.2859664448, 18.4670156175, 18.6480647903, 18.829113963, 19.0101631357]" +7,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ta,"[-11.83367559, -11.84544883, -11.8544296, -11.86074125, -11.86453552, -11.86589956, -11.86497895, -11.86185368, -11.85663469, -11.8494333, -11.84033243]",PBE,3.6881332034792202,0.00572837190625391,10.0,1.0,3.296764062265376,3.296764062265376,dB,FindHistory,3.8097222535,0.0173029728,"[17.1942765045, 17.3752688887, 17.556261273, 17.7372536572, 17.9182460415, 18.0992384258, 18.28023081, 18.4612231943, 18.6422155785, 18.8232079628, 19.004200347]" +8,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ta,"[-11.91749038, -11.92944756, -11.93856869, -11.94499059, -11.94882401, -11.95018632, -11.94921454, -11.94602966, -11.94070104, -11.93335581, -11.92411623]",PBE,3.6881332034792202,0.00572837190625391,4.0,1.0,5.798592055163144,5.798592055163144,dB,FindHistory,3.9019930024000002,0.0369709547,"[17.0639309789, 17.243551305, 17.4231716311, 17.6027919572, 17.7824122832, 17.9620326093, 18.1416529354, 18.3212732615, 18.5008935876, 18.6805139137, 18.8601342398]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ta,"[-11.83133671, -11.84280935, -11.85152931, -11.85762729, -11.86122251, -11.86243651, -11.8613709, -11.85813313, -11.85282351, -11.8455398, -11.83636511]",PBE,3.6881332034792202,0.00572837190625391,28.0,1.0,0.32202049019205115,0.32202049019205115,dB,FindHistory,3.7000097481,0.008906423299999999,"[17.2022456741, 17.3833219444, 17.5643982146, 17.7454744849, 17.9265507551, 18.1076270254, 18.2887032956, 18.4697795659, 18.6508558362, 18.8319321064, 19.0130083767]" +10,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ta,"[-11.83137469, -11.84286961, -11.85161463, -11.85772808, -11.86133904, -11.86256802, -11.86151142, -11.85826763, -11.85295332, -11.8456571, -11.83647146]",PBE,3.6881332034792202,0.00572837190625391,20.0,1.0,0.4950427051278002,-0.4950427051278002,dB,FindHistory,3.6698753691,0.0175538506,"[17.2011185218, 17.3821829273, 17.5632473328, 17.7443117383, 17.9253761438, 18.1064405493, 18.2875049547, 18.4685693602, 18.6496337657, 18.8306981712, 19.0117625767]" +11,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ta,"[-11.83132851, -11.84282041, -11.8515505, -11.85766026, -11.86126335, -11.86247793, -11.86141424, -11.85817345, -11.8528606, -11.84557194, -11.83639836]",PBE,3.6881332034792202,0.00572837190625391,26.0,1.0,0.9433662723449852,0.9433662723449852,dB,FindHistory,3.7229258082,0.0135275471,"[17.2028107506, 17.383892969, 17.5649751874, 17.7460574059, 17.9271396243, 18.1082218427, 18.2893040611, 18.4703862796, 18.651468498, 18.8325507164, 19.0136329348]" +12,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ta,"[-11.83143422, -11.84290014, -11.85161433, -11.85770684, -11.86130089, -11.8625051, -11.86143432, -11.8581846, -11.85286304, -11.84556495, -11.83638058]",PBE,3.6881332034792202,0.00572837190625391,38.0,1.0,0.06017966968021379,-0.06017966968021379,dB,FindHistory,3.6859136971,0.014538279,"[17.2031635786, 17.384249511, 17.5653354434, 17.7464213758, 17.9275073082, 18.1085932406, 18.289679173, 18.4707651054, 18.6518510378, 18.8329369702, 19.0140229026]" +13,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ta,"[-11.83142123, -11.84288386, -11.8516052, -11.8576979, -11.86129374, -11.86250223, -11.86143448, -11.85818881, -11.85286793, -11.84557245, -11.8363881]",PBE,3.6881332034792202,0.00572837190625391,30.0,1.0,0.3945739152125,-0.3945739152125,dB,FindHistory,3.6735807919,0.014935131,"[17.2032709136, 17.3843579758, 17.565445038100002, 17.7465321003, 17.9276191626, 18.1087062248, 18.2897932871, 18.4708803493, 18.6519674115, 18.8330544738, 19.014141536]" +14,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ta,"[-11.83138338, -11.84285477, -11.8515775, -11.85768097, -11.86127957, -11.86248913, -11.86142072, -11.85817753, -11.85286334, -11.84557156, -11.83638801]",PBE,3.6881332034792202,0.00572837190625391,32.0,1.0,0.02816322956556464,0.02816322956556464,dB,FindHistory,3.6891719009,0.0140978683,"[17.2026811331, 17.3837619872, 17.5648428412, 17.7459236952, 17.9270045493, 18.1080854033, 18.2891662573, 18.4702471114, 18.6513279654, 18.8324088194, 19.0134896735]" +15,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ta,"[-11.83120903, -11.84266923, -11.85138236, -11.85748345, -11.8610934, -11.86231526, -11.86126384, -11.8580485, -11.85276072, -11.84548656, -11.836332670000001]",PBE,3.6881332034792202,0.00572837190625391,22.0,1.0,1.1411203028002979,-1.1411203028002979,dB,FindHistory,3.6460471667,0.0110149703,"[17.2024253296, 17.383503491, 17.5645816524, 17.7456598137, 17.9267379751, 18.1078161365, 18.2888942978, 18.4699724592, 18.6510506205, 18.8321287819, 19.0132069433]" +16,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ta,"[-11.84882818, -11.86030873, -11.86906105, -11.87521493, -11.87890446, -11.88021922, -11.87929059, -11.87621514, -11.87107106, -11.86399222, -11.85503705]",PBE,3.6881332034792202,0.00572837190625391,8.0,1.0,0.5960640602687924,0.5960640602687924,dB,FindHistory,3.71011684,0.017253260200000002,"[17.1212313065, 17.301454794, 17.4816782814, 17.6619017688, 17.8421252563, 18.0223487437, 18.2025722311, 18.3827957186, 18.563019206, 18.7432426935, 18.9234661809]" +17,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ta,"[-11.83239168, -11.84391012, -11.85267957, -11.85882764, -11.86246801, -11.8637234, -11.86270436, -11.85950641, -11.85423769, -11.84699232, -11.83786028]",PBE,3.6881332034792202,0.00572837190625391,14.0,1.0,0.34494398978807256,0.34494398978807256,dB,FindHistory,3.7008551973,0.0131672757,"[17.1950343671, 17.3760347288, 17.5570350906, 17.7380354524, 17.9190358141, 18.1000361759, 18.2810365376, 18.4620368994, 18.6430372611, 18.8240376229, 19.0050379847]" +18,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ta,"[-11.83131213, -11.84280388, -11.851538829999999, -11.85764827, -11.86125234, -11.86247026, -11.86140866, -11.85817071, -11.85285689, -11.84555869, -11.83637866]",PBE,3.6881332034792202,0.00572837190625391,24.0,1.0,0.10708694352617054,0.10708694352617054,dB,FindHistory,3.6920827126,0.0102708164,"[17.2017552014, 17.3828263088, 17.5638974161, 17.7449685235, 17.9260396309, 18.1071107383, 18.2881818457, 18.469252953, 18.6503240604, 18.8313951678, 19.0124662752]" +0,TetraBloechl,PseudoPot_18x18x18_POS,VASP,Ta,"[-11.83137226, -11.84286348, -11.85159901, -11.85771048, -11.8613396, -11.86257045, -11.86152421, -11.85829871, -11.852998, -11.84571876, -11.83655438]",PBE,18.11242644061869,0.00010660047111366,18.0,1.0,0.008686795906951948,-0.008686795906951948,v0,FindHistory,18.110853051099998,0.0001209334,"[17.1996714085, 17.3807205812, 17.5617697539, 17.7428189267, 17.9238680994, 18.1049172721, 18.2859664448, 18.4670156175, 18.6480647903, 18.829113963, 19.0101631357]" +1,TetraBloechl,PseudoPot_16x16x16_POS,VASP,Ta,"[-11.83148446, -11.84297621, -11.85173501, -11.85787564, -11.86151454, -11.86275229, -11.86171345, -11.85848523, -11.85318815, -11.84590077, -11.83671303]",PBE,18.11242644061869,0.00010660047111366,16.0,1.0,0.014463007426955167,0.014463007426955167,v0,FindHistory,18.1150460422,0.000145617,"[17.202922479, 17.3840058735, 17.565089268, 17.7461726625, 17.9272560571, 18.1083394516, 18.2894228461, 18.4705062406, 18.6515896351, 18.8326730296, 19.0137564242]" +2,TetraBloechl,PseudoPot_36x36x36_POS,VASP,Ta,"[-11.83141347, -11.84288369, -11.85160439, -11.85769791, -11.86129345, -11.86249977, -11.86143155, -11.85819263, -11.85288412, -11.84559724, -11.83642041]",PBE,18.11242644061869,0.00010660047111366,36.0,1.0,0.0013903919472900623,-0.0013903919472900623,v0,FindHistory,18.112174606900002,3.96825e-05,"[17.2025962583, 17.3836762189, 17.5647561795, 17.7458361401, 17.9269161007, 18.1079960613, 18.2890760219, 18.4701559826, 18.6512359432, 18.8323159038, 19.0133958644]" +3,TetraBloechl,PseudoPot_34x34x34_POS,VASP,Ta,"[-11.83140244, -11.84288112, -11.851600789999999, -11.85770322, -11.86129722, -11.8625034, -11.86143807, -11.85819343, -11.85287963, -11.84558874, -11.83641103]",PBE,18.11242644061869,0.00010660047111366,34.0,1.0,0.0010263661762934812,-0.0010263661762934812,v0,FindHistory,18.1122405408,6.34679e-05,"[17.202718666, 17.3837999151, 17.5648811642, 17.7459624133, 17.9270436624, 18.1081249115, 18.2892061607, 18.4702874098, 18.6513686589, 18.832449908, 19.0135311571]" +4,TetraBloechl,PseudoPot_6x6x6_POS,VASP,Ta,"[-11.88207394, -11.89001509, -11.8955212, -11.89863067, -11.90223516, -11.90103555, -11.8980804, -11.8931066, -11.88635149, -11.87774117, -11.867313]",PBE,18.11242644061869,0.00010660047111366,6.0,1.0,0.40136829572244326,-0.40136829572244326,v0,FindHistory,18.0397289033,0.011685891100000002,"[17.2663487851, 17.4480998249, 17.6298508648, 17.8116019046, 17.9933529445, 18.1751039843, 18.3568550242, 18.538606064, 18.7203571038, 18.9021081437, 19.0838591835]" +5,TetraBloechl,PseudoPot_40x40x40_POS,VASP,Ta,"[-11.83144853, -11.84291044, -11.85162522, -11.85772089, -11.86130961, -11.86251371, -11.861441169999999, -11.85819696, -11.85287849, -11.84558202, -11.8363984]",PBE,18.11242644061869,0.00010660047111366,40.0,1.0,9.858028335055218e-05,9.858028335055218e-05,v0,FindHistory,18.112444295899998,6.72328e-05,"[17.203152569, 17.3842383855, 17.565324202, 17.7464100185, 17.927495835, 18.1085816516, 18.2896674681, 18.4707532846, 18.6518391011, 18.8329249176, 19.0140107341]" +6,TetraBloechl,PseudoPot_10x10x10_POS,VASP,Ta,"[-11.83367559, -11.84544883, -11.8544296, -11.86074125, -11.86453552, -11.86589956, -11.86497895, -11.86185368, -11.85663469, -11.8494333, -11.84033243]",PBE,18.11242644061869,0.00010660047111366,10.0,1.0,0.015421350587497547,0.015421350587497547,v0,FindHistory,18.1152196214,0.0001005984,"[17.1942765045, 17.3752688887, 17.556261273, 17.7372536572, 17.9182460415, 18.0992384258, 18.28023081, 18.4612231943, 18.6422155785, 18.8232079628, 19.004200347]" +7,TetraBloechl,PseudoPot_4x4x4_POS,VASP,Ta,"[-11.91749038, -11.92944756, -11.93856869, -11.94499059, -11.94882401, -11.95018632, -11.94921454, -11.94602966, -11.94070104, -11.93335581, -11.92411623]",PBE,18.11242644061869,0.00010660047111366,4.0,1.0,0.7527206145773293,-0.7527206145773293,v0,FindHistory,17.976090473,0.0002133802,"[17.0639309789, 17.243551305, 17.4231716311, 17.6027919572, 17.7824122832, 17.9620326093, 18.1416529354, 18.3212732615, 18.5008935876, 18.6805139137, 18.8601342398]" +8,TetraBloechl,PseudoPot_28x28x28_POS,VASP,Ta,"[-11.83133671, -11.84280935, -11.85152931, -11.85762729, -11.86122251, -11.86243651, -11.8613709, -11.85813313, -11.85282351, -11.8455398, -11.83636511]",PBE,18.11242644061869,0.00010660047111366,28.0,1.0,0.002147764795442565,-0.002147764795442565,v0,FindHistory,18.1120374283,5.18983e-05,"[17.2022456741, 17.3833219444, 17.5643982146, 17.7454744849, 17.9265507551, 18.1076270254, 18.2887032956, 18.4697795659, 18.6508558362, 18.8319321064, 19.0130083767]" +9,TetraBloechl,PseudoPot_20x20x20_POS,VASP,Ta,"[-11.83137469, -11.84286961, -11.85161463, -11.85772808, -11.86133904, -11.86256802, -11.86151142, -11.85826763, -11.85295332, -11.8456571, -11.83647146]",PBE,18.11242644061869,0.00010660047111366,20.0,1.0,0.00497191097860034,-0.00497191097860034,v0,FindHistory,18.1115259069,0.0001022783,"[17.2011185218, 17.3821829273, 17.5632473328, 17.7443117383, 17.9253761438, 18.1064405493, 18.2875049547, 18.4685693602, 18.6496337657, 18.8306981712, 19.0117625767]" +10,TetraBloechl,PseudoPot_26x26x26_POS,VASP,Ta,"[-11.83132851, -11.84282041, -11.8515505, -11.85766026, -11.86126335, -11.86247793, -11.86141424, -11.85817345, -11.8528606, -11.84557194, -11.83639836]",PBE,18.11242644061869,0.00010660047111366,26.0,1.0,0.0017095350660139917,0.0017095350660139917,v0,FindHistory,18.1127360789,7.88304e-05,"[17.2028107506, 17.383892969, 17.5649751874, 17.7460574059, 17.9271396243, 18.1082218427, 18.2893040611, 18.4703862796, 18.651468498, 18.8325507164, 19.0136329348]" +11,TetraBloechl,PseudoPot_38x38x38_POS,VASP,Ta,"[-11.83143422, -11.84290014, -11.85161433, -11.85770684, -11.86130089, -11.8625051, -11.86143432, -11.8581846, -11.85286304, -11.84556495, -11.83638058]",PBE,18.11242644061869,0.00010660047111366,38.0,1.0,4.272653990180595e-06,4.272653990180595e-06,v0,FindHistory,18.112427214500002,8.47299e-05,"[17.2031635786, 17.384249511, 17.5653354434, 17.7464213758, 17.9275073082, 18.1085932406, 18.289679173, 18.4707651054, 18.6518510378, 18.8329369702, 19.0140229026]" +12,TetraBloechl,PseudoPot_30x30x30_POS,VASP,Ta,"[-11.83142123, -11.84288386, -11.8516052, -11.8576979, -11.86129374, -11.86250223, -11.86143448, -11.85818881, -11.85286793, -11.84557245, -11.8363881]",PBE,18.11242644061869,0.00010660047111366,30.0,1.0,0.002085077239910388,0.002085077239910388,v0,FindHistory,18.1128040987,8.703810000000001e-05,"[17.2032709136, 17.3843579758, 17.565445038100002, 17.7465321003, 17.9276191626, 18.1087062248, 18.2897932871, 18.4708803493, 18.6519674115, 18.8330544738, 19.014141536]" +13,TetraBloechl,PseudoPot_32x32x32_POS,VASP,Ta,"[-11.83138338, -11.84285477, -11.8515775, -11.85768097, -11.86127957, -11.86248913, -11.86142072, -11.85817753, -11.85286334, -11.84557156, -11.83638801]",PBE,18.11242644061869,0.00010660047111366,32.0,1.0,0.00030267186381497936,-0.00030267186381497936,v0,FindHistory,18.1123716194,8.21507e-05,"[17.2026811331, 17.3837619872, 17.5648428412, 17.7459236952, 17.9270045493, 18.1080854033, 18.2891662573, 18.4702471114, 18.6513279654, 18.8324088194, 19.0134896735]" +14,TetraBloechl,PseudoPot_22x22x22_POS,VASP,Ta,"[-11.83120903, -11.84266923, -11.85138236, -11.85748345, -11.8610934, -11.86231526, -11.86126384, -11.8580485, -11.85276072, -11.84548656, -11.836332670000001]",PBE,18.11242644061869,0.00010660047111366,22.0,1.0,0.005598949343608846,0.005598949343608846,v0,FindHistory,18.1134405462,6.41757e-05,"[17.2024253296, 17.383503491, 17.5645816524, 17.7456598137, 17.9267379751, 18.1078161365, 18.2888942978, 18.4699724592, 18.6510506205, 18.8321287819, 19.0132069433]" +15,TetraBloechl,PseudoPot_8x8x8_POS,VASP,Ta,"[-11.84882818, -11.86030873, -11.86906105, -11.87521493, -11.87890446, -11.88021922, -11.87929059, -11.87621514, -11.87107106, -11.86399222, -11.85503705]",PBE,18.11242644061869,0.00010660047111366,8.0,1.0,0.41894250263743826,-0.41894250263743826,v0,FindHistory,18.036545787999998,9.99203e-05,"[17.1212313065, 17.301454794, 17.4816782814, 17.6619017688, 17.8421252563, 18.0223487437, 18.2025722311, 18.3827957186, 18.563019206, 18.7432426935, 18.9234661809]" +16,TetraBloechl,PseudoPot_14x14x14_POS,VASP,Ta,"[-11.83239168, -11.84391012, -11.85267957, -11.85882764, -11.86246801, -11.8637234, -11.86270436, -11.85950641, -11.85423769, -11.84699232, -11.83786028]",PBE,18.11242644061869,0.00010660047111366,14.0,1.0,0.02484747382382157,-0.02484747382382157,v0,FindHistory,18.1079259602,7.66612e-05,"[17.1950343671, 17.3760347288, 17.5570350906, 17.7380354524, 17.9190358141, 18.1000361759, 18.2810365376, 18.4620368994, 18.6430372611, 18.8240376229, 19.0050379847]" +17,TetraBloechl,PseudoPot_24x24x24_POS,VASP,Ta,"[-11.83131213, -11.84280388, -11.851538829999999, -11.85764827, -11.86125234, -11.86247026, -11.86140866, -11.85817071, -11.85285689, -11.84555869, -11.83637866]",PBE,18.11242644061869,0.00010660047111366,24.0,1.0,0.003401186587069798,-0.003401186587069798,v0,FindHistory,18.1118104032,5.98461e-05,"[17.2017552014, 17.3828263088, 17.5638974161, 17.7449685235, 17.9260396309, 18.1071107383, 18.2881818457, 18.469252953, 18.6503240604, 18.8313951678, 19.0124662752]" +18,TetraBloechl,PseudoPot_12x12x12_POS,VASP,Ta,"[-11.833075879999999, -11.84458362, -11.8533698, -11.85965454, -11.86332792, -11.86463151, -11.86366483, -11.86055004, -11.85533793, -11.84816533, -11.83911799]",PBE,18.11242644061869,0.00010660047111366,12.0,1.0,0.08538666737664861,-0.08538666737664861,v0,FindHistory,18.0969608433,0.0005815139000000001,"[17.1796808165, 17.360519562, 17.5413583074, 17.7221970529, 17.9030357983, 18.0838745437, 18.2647132892, 18.4455520346, 18.62639078, 18.8072295255, 18.9880682709]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,303.84560546588403,0.00548514008782858,4.0,1.0,36451.48232925099,-36451.48232925099,B,bcc,-110452.3815791365,344307.709578346,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,303.84560546588403,0.00548514008782858,6.0,1.0,208098.75823250346,-208098.75823250346,B,bcc,-631995.0863130704,12291620594.96434,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,303.84560546588403,0.00548514008782858,20.0,1.0,80.35400212727367,-80.35400212727367,B,bcc,59.693501186199995,1816446213.8895407,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02875, -11.270343, -10.02875, -11.270343, -10.076623, -11.275043, -10.076623, -11.275043]",PBE,303.84560546588403,0.00548514008782858,22.0,1.0,92.59663658021023,-92.59663658021023,B,bcc,22.4947944077,1327245840.7017348,"[14.4575565701, 13.8277224227, 14.4575488731, 13.827717742, 14.3757419267, 13.756263321, 14.3757423803, 13.7562637458]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02919, -11.270628, -10.02919, -11.270628, -10.07668, -11.275081, -10.07668, -11.275081]",PBE,303.84560546588403,0.00548514008782858,26.0,1.0,83.85227656343085,-83.85227656343085,B,bcc,49.06414804479999,2488795056.7817698,"[14.4578182488, 13.8280648166, 14.4578180198, 13.8280654237, 14.3753661824, 13.7557759732, 14.3753773839, 13.7557768089]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,303.84560546588403,0.00548514008782858,28.0,1.0,69.94904774225799,-69.94904774225799,B,bcc,91.3084978358,13861.8029101099,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,303.84560546588403,0.00548514008782858,30.0,1.0,1288.6100158821637,-1288.6100158821637,B,bcc,-3611.5392993853,242307024.35156164,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,303.84560546588403,0.00548514008782858,32.0,1.0,85.56426028823218,-85.56426028823218,B,bcc,43.8623607307,2696446862.5109024,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,303.84560546588403,0.00548514008782858,34.0,1.0,92.02021638163123,-92.02021638163123,B,bcc,24.246221850100003,737542398.7510582,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029573, -11.271052, -10.029573, -11.271052, -10.076742, -11.275203, -10.076742, -11.275203]",PBE,303.84560546588403,0.00548514008782858,38.0,1.0,93.75686313375695,-93.75686313375695,B,bcc,18.9694970113,733277129.8052963,"[14.4566373839, 13.8266972453, 14.4566313112, 13.8267030758, 14.3736994815, 13.7540276113, 14.3736857453, 13.7540300336]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02958, -11.271065, -10.02958, -11.271065, -10.076739, -11.27519, -10.076739, -11.27519]",PBE,303.84560546588403,0.00548514008782858,42.0,1.0,90.0811041393245,-90.0811041393245,B,bcc,30.1381291834,11413.7906567379,"[14.4563782083, 13.8264099641, 14.4563690805, 13.8264102313, 14.3735860333, 13.7538440182, 14.3735806854, 13.753845139]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029572, -11.271062, -10.029572, -11.271062, -10.076732, -11.275178, -10.076732, -11.275178]",PBE,303.84560546588403,0.00548514008782858,46.0,1.0,87.10922919189699,-87.10922919189699,B,bcc,39.168040611100004,2601114270.2317142,"[14.456159057, 13.8261880313, 14.4561639042, 13.8261926392, 14.3733458, 13.7535564858, 14.3733456013, 13.7535575329]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,303.84560546588403,0.00548514008782858,50.0,1.0,88.05929185644462,-88.05929185644462,B,bcc,36.2813169557,1960267034.75617,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,303.84560546588403,0.00548514008782858,54.0,1.0,89.61205324710745,-89.61205324710745,B,bcc,31.563319706799998,1721324010.4287767,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029506, -11.270991, -10.029506, -11.270991, -10.076735, -11.275183, -10.076735, -11.275183]",PBE,303.84560546588403,0.00548514008782858,56.0,1.0,93.91273518425899,-93.91273518425899,B,bcc,18.4958866357,1021773757.4350117,"[14.4561778193, 13.8261167063, 14.4561832761, 13.8261160415, 14.3730660642, 13.753270628, 14.3730540367, 13.7532750589]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,303.84560546588403,0.00548514008782858,60.0,1.0,250277.31959286408,-250277.31959286408,B,bcc,-760152.7914552575,5980119321.567958,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,303.84560546588403,0.00548514008782858,62.0,1.0,231137.96118678796,-231137.96118678796,B,bcc,-701998.69202403,269627137.79927343,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029466, -11.270964, -10.029466, -11.270964, -10.076741, -11.27519, -10.076741, -11.27519]",PBE,303.84560546588403,0.00548514008782858,66.0,1.0,95.53891059230017,-95.53891059230017,B,bcc,13.5548241212,546855511.9655058,"[14.4559535219, 13.8258313841, 14.4559408804, 13.8258253312, 14.3729304433, 13.7531232448, 14.3729231234, 13.7531241661]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,303.84560546588403,0.00548514008782858,68.0,1.0,240121.00301825532,-240121.00301825532,B,bcc,-729293.2698661055,207314816.6338896,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,303.84560546588403,0.00548514008782858,70.0,1.0,223092.7963074253,-223092.7963074253,B,bcc,-677553.8120856019,170351263.77376994,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +20,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,303.84560546588403,0.00548514008782858,4.0,1.0,36451.48232925099,-36451.48232925099,B,bcc,-110452.3815791365,344307.709578346,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,303.84560546588403,0.00548514008782858,6.0,1.0,208098.75823250346,-208098.75823250346,B,bcc,-631995.0863130704,12291620594.96434,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,303.84560546588403,0.00548514008782858,20.0,1.0,80.35400212727367,-80.35400212727367,B,bcc,59.693501186199995,1816446213.8895407,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02875, -11.270343, -10.02875, -11.270343, -10.076623, -11.275043, -10.076623, -11.275043]",PBE,303.84560546588403,0.00548514008782858,22.0,1.0,92.59663658021023,-92.59663658021023,B,bcc,22.4947944077,1327245840.7017348,"[14.4575565701, 13.8277224227, 14.4575488731, 13.827717742, 14.3757419267, 13.756263321, 14.3757423803, 13.7562637458]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02919, -11.270628, -10.02919, -11.270628, -10.07668, -11.275081, -10.07668, -11.275081]",PBE,303.84560546588403,0.00548514008782858,26.0,1.0,83.85227656343085,-83.85227656343085,B,bcc,49.06414804479999,2488795056.7817698,"[14.4578182488, 13.8280648166, 14.4578180198, 13.8280654237, 14.3753661824, 13.7557759732, 14.3753773839, 13.7557768089]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,303.84560546588403,0.00548514008782858,28.0,1.0,69.94904774225799,-69.94904774225799,B,bcc,91.3084978358,13861.8029101099,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +26,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,303.84560546588403,0.00548514008782858,30.0,1.0,1288.6100158821637,-1288.6100158821637,B,bcc,-3611.5392993853,242307024.35156164,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,303.84560546588403,0.00548514008782858,32.0,1.0,85.56426028823218,-85.56426028823218,B,bcc,43.8623607307,2696446862.5109024,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,303.84560546588403,0.00548514008782858,34.0,1.0,92.02021638163123,-92.02021638163123,B,bcc,24.246221850100003,737542398.7510582,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029573, -11.271052, -10.029573, -11.271052, -10.076742, -11.275203, -10.076742, -11.275203]",PBE,303.84560546588403,0.00548514008782858,38.0,1.0,93.75686313375695,-93.75686313375695,B,bcc,18.9694970113,733277129.8052963,"[14.4566373839, 13.8266972453, 14.4566313112, 13.8267030758, 14.3736994815, 13.7540276113, 14.3736857453, 13.7540300336]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02958, -11.271065, -10.02958, -11.271065, -10.076739, -11.27519, -10.076739, -11.27519]",PBE,303.84560546588403,0.00548514008782858,42.0,1.0,90.0811041393245,-90.0811041393245,B,bcc,30.1381291834,11413.7906567379,"[14.4563782083, 13.8264099641, 14.4563690805, 13.8264102313, 14.3735860333, 13.7538440182, 14.3735806854, 13.753845139]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029572, -11.271062, -10.029572, -11.271062, -10.076732, -11.275178, -10.076732, -11.275178]",PBE,303.84560546588403,0.00548514008782858,46.0,1.0,87.10922919189699,-87.10922919189699,B,bcc,39.168040611100004,2601114270.2317142,"[14.456159057, 13.8261880313, 14.4561639042, 13.8261926392, 14.3733458, 13.7535564858, 14.3733456013, 13.7535575329]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,303.84560546588403,0.00548514008782858,50.0,1.0,88.05929185644462,-88.05929185644462,B,bcc,36.2813169557,1960267034.75617,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,303.84560546588403,0.00548514008782858,54.0,1.0,89.61205324710745,-89.61205324710745,B,bcc,31.563319706799998,1721324010.4287767,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029506, -11.270991, -10.029506, -11.270991, -10.076735, -11.275183, -10.076735, -11.275183]",PBE,303.84560546588403,0.00548514008782858,56.0,1.0,93.91273518425899,-93.91273518425899,B,bcc,18.4958866357,1021773757.4350117,"[14.4561778193, 13.8261167063, 14.4561832761, 13.8261160415, 14.3730660642, 13.753270628, 14.3730540367, 13.7532750589]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,303.84560546588403,0.00548514008782858,60.0,1.0,250277.31959286408,-250277.31959286408,B,bcc,-760152.7914552575,5980119321.567958,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +36,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,303.84560546588403,0.00548514008782858,62.0,1.0,231137.96118678796,-231137.96118678796,B,bcc,-701998.69202403,269627137.79927343,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +37,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029466, -11.270964, -10.029466, -11.270964, -10.076741, -11.27519, -10.076741, -11.27519]",PBE,303.84560546588403,0.00548514008782858,66.0,1.0,95.53891059230017,-95.53891059230017,B,bcc,13.5548241212,546855511.9655058,"[14.4559535219, 13.8258313841, 14.4559408804, 13.8258253312, 14.3729304433, 13.7531232448, 14.3729231234, 13.7531241661]" +38,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,303.84560546588403,0.00548514008782858,68.0,1.0,240121.00301825532,-240121.00301825532,B,bcc,-729293.2698661055,207314816.6338896,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,303.84560546588403,0.00548514008782858,70.0,1.0,223092.7963074253,-223092.7963074253,B,bcc,-677553.8120856019,170351263.77376994,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,-9.945893176059721,0.0150641506767084,4.0,1.0,-0.5373540084702001,-0.5373540084702001,E0,bcc,-9.8924485204,0.1384681626,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,-9.945893176059721,0.0150641506767084,6.0,1.0,-0.14035572364562404,0.14035572364562404,E0,bcc,-9.9598528064,546.4303014346,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.028789, -11.270514, -10.028789, -11.270515, -10.076948, -11.275437, -10.076948, -11.275437]",PBE,-9.945893176059721,0.0150641506767084,14.0,1.0,-472.5471949898761,-472.5471949898761,E0,bcc,37.0531460441,1303491.576941132,"[14.4579199639, 13.8291040609, 14.4579136563, 13.8291037928, 14.3798551935, 13.7608206606, 14.3798551881, 13.7608210149]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.030364, -11.271768, -10.030364, -11.271768, -10.07692, -11.27537, -10.07692, -11.27537]",PBE,-9.945893176059721,0.0150641506767084,16.0,1.0,-965.7929357754739,-965.7929357754739,E0,bcc,86.11084051809998,1099908.0829511832,"[14.4604880596, 13.8314970749, 14.4604807333, 13.8314974121, 14.3795362589, 13.760798175, 14.3795364633, 13.7607984172]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,-9.945893176059721,0.0150641506767084,20.0,1.0,-123.22397881509973,123.22397881509973,E0,bcc,-22.201618476300002,266641917.91909692,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,-9.945893176059721,0.0150641506767084,28.0,1.0,-114.3533048124504,114.3533048124504,E0,bcc,-21.319350716,9361338834.78122,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,-9.945893176059721,0.0150641506767084,30.0,1.0,-663.2690999803635,-663.2690999803635,E0,bcc,56.022142977799994,2004438.1553777768,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,-9.945893176059721,0.0150641506767084,32.0,1.0,-127.87390630892408,127.87390630892408,E0,bcc,-22.664095297600003,288280026.79938537,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,-9.945893176059721,0.0150641506767084,34.0,1.0,-134.38868955694505,134.38868955694505,E0,bcc,-23.312048680100002,414832347.6085329,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029427, -11.270946, -10.029427, -11.270946, -10.076738, -11.275187, -10.076738, -11.275187]",PBE,-9.945893176059721,0.0150641506767084,40.0,1.0,-1420.8242808158147,-1420.8242808158147,E0,bcc,131.3677720134,10226125.157656353,"[14.4560880848, 13.8260671899, 14.4560779493, 13.826072774, 14.3735785829, 13.7538355687, 14.3735696729, 13.7538464398]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029414, -11.270923, -10.029414, -11.270923, -10.076764, -11.275219, -10.076764, -11.275219]",PBE,-9.945893176059721,0.0150641506767084,44.0,1.0,-958.6608368172082,-958.6608368172082,E0,bcc,85.4014895745,8566700.15638425,"[14.4561428366, 13.826092600700001, 14.4561513724, 13.8260906777, 14.3734065928, 13.753666384, 14.3733953185, 13.7536640597]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,-9.945893176059721,0.0150641506767084,50.0,1.0,-130.23800028256508,130.23800028256508,E0,bcc,-22.8992255588,1755455907.179943,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,-9.945893176059721,0.0150641506767084,54.0,1.0,-131.81544780208645,131.81544780208645,E0,bcc,-23.056116804000002,4501042158.87535,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,-9.945893176059721,0.0150641506767084,60.0,1.0,-0.10065946781307285,0.10065946781307285,E0,bcc,-9.9559046592,214.0512345496,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,-9.945893176059721,0.0150641506767084,62.0,1.0,-0.12528088447873845,0.12528088447873845,E0,bcc,-9.958353479,10.8067917651,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,-9.945893176059721,0.0150641506767084,68.0,1.0,-0.06025509759851158,0.06025509759851158,E0,bcc,-9.9518860837,8.460350349,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,-9.945893176059721,0.0150641506767084,70.0,1.0,-0.08883635570857465,0.08883635570857465,E0,bcc,-9.9547287451,7.5797940264,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,-9.945893176059721,0.0150641506767084,4.0,1.0,-0.5373540084702001,-0.5373540084702001,E0,bcc,-9.8924485204,0.1384681626,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,-9.945893176059721,0.0150641506767084,6.0,1.0,-0.14035572364562404,0.14035572364562404,E0,bcc,-9.9598528064,546.4303014346,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.028789, -11.270514, -10.028789, -11.270515, -10.076948, -11.275437, -10.076948, -11.275437]",PBE,-9.945893176059721,0.0150641506767084,14.0,1.0,-472.5471949898761,-472.5471949898761,E0,bcc,37.0531460441,1303491.576941132,"[14.4579199639, 13.8291040609, 14.4579136563, 13.8291037928, 14.3798551935, 13.7608206606, 14.3798551881, 13.7608210149]" +20,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.030364, -11.271768, -10.030364, -11.271768, -10.07692, -11.27537, -10.07692, -11.27537]",PBE,-9.945893176059721,0.0150641506767084,16.0,1.0,-965.7929357754739,-965.7929357754739,E0,bcc,86.11084051809998,1099908.0829511832,"[14.4604880596, 13.8314970749, 14.4604807333, 13.8314974121, 14.3795362589, 13.760798175, 14.3795364633, 13.7607984172]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,-9.945893176059721,0.0150641506767084,20.0,1.0,-123.22397881509973,123.22397881509973,E0,bcc,-22.201618476300002,266641917.91909692,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,-9.945893176059721,0.0150641506767084,28.0,1.0,-114.3533048124504,114.3533048124504,E0,bcc,-21.319350716,9361338834.78122,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,-9.945893176059721,0.0150641506767084,30.0,1.0,-663.2690999803635,-663.2690999803635,E0,bcc,56.022142977799994,2004438.1553777768,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,-9.945893176059721,0.0150641506767084,32.0,1.0,-127.87390630892408,127.87390630892408,E0,bcc,-22.664095297600003,288280026.79938537,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,-9.945893176059721,0.0150641506767084,34.0,1.0,-134.38868955694505,134.38868955694505,E0,bcc,-23.312048680100002,414832347.6085329,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +26,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029427, -11.270946, -10.029427, -11.270946, -10.076738, -11.275187, -10.076738, -11.275187]",PBE,-9.945893176059721,0.0150641506767084,40.0,1.0,-1420.8242808158147,-1420.8242808158147,E0,bcc,131.3677720134,10226125.157656353,"[14.4560880848, 13.8260671899, 14.4560779493, 13.826072774, 14.3735785829, 13.7538355687, 14.3735696729, 13.7538464398]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029414, -11.270923, -10.029414, -11.270923, -10.076764, -11.275219, -10.076764, -11.275219]",PBE,-9.945893176059721,0.0150641506767084,44.0,1.0,-958.6608368172082,-958.6608368172082,E0,bcc,85.4014895745,8566700.15638425,"[14.4561428366, 13.826092600700001, 14.4561513724, 13.8260906777, 14.3734065928, 13.753666384, 14.3733953185, 13.7536640597]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,-9.945893176059721,0.0150641506767084,50.0,1.0,-130.23800028256508,130.23800028256508,E0,bcc,-22.8992255588,1755455907.179943,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,-9.945893176059721,0.0150641506767084,54.0,1.0,-131.81544780208645,131.81544780208645,E0,bcc,-23.056116804000002,4501042158.87535,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,-9.945893176059721,0.0150641506767084,60.0,1.0,-0.10065946781307285,0.10065946781307285,E0,bcc,-9.9559046592,214.0512345496,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,-9.945893176059721,0.0150641506767084,62.0,1.0,-0.12528088447873845,0.12528088447873845,E0,bcc,-9.958353479,10.8067917651,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,-9.945893176059721,0.0150641506767084,68.0,1.0,-0.06025509759851158,0.06025509759851158,E0,bcc,-9.9518860837,8.460350349,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,-9.945893176059721,0.0150641506767084,70.0,1.0,-0.08883635570857465,0.08883635570857465,E0,bcc,-9.9547287451,7.5797940264,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,4.63670921983698,0.00048064780797298,4.0,1.0,7642.605835918603,-7642.605835918603,dB,bcc,-349.72870021,1112.9940242011,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,4.63670921983698,0.00048064780797298,6.0,1.0,41995.88083557671,-41995.88083557671,dB,bcc,-1942.5901694351,37781393.23765411,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029339, -11.270613, -10.029339, -11.270613, -10.074033, -11.272649, -10.074033, -11.272649]",PBE,4.63670921983698,0.00048064780797298,12.0,1.0,25.05193026268358,-25.05193026268358,dB,bcc,3.4751240596,0.0,"[14.466131241, 13.837529762900001, 14.466131197, 13.8375298451, 14.3847355211, 13.7661672406, 14.3847356642, 13.7661673134]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,4.63670921983698,0.00048064780797298,20.0,1.0,31.45814612002482,-31.45814612002482,dB,bcc,3.1780864583,96707823.532305,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02875, -11.270343, -10.02875, -11.270343, -10.076623, -11.275043, -10.076623, -11.275043]",PBE,4.63670921983698,0.00048064780797298,22.0,1.0,21.364313358252993,-21.364313358252993,dB,bcc,3.6461081326,215128836.81819355,"[14.4575565701, 13.8277224227, 14.4575488731, 13.827717742, 14.3757419267, 13.756263321, 14.3757423803, 13.7562637458]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02919, -11.270628, -10.02919, -11.270628, -10.07668, -11.275081, -10.07668, -11.275081]",PBE,4.63670921983698,0.00048064780797298,26.0,1.0,29.25042145698031,-29.25042145698031,dB,bcc,3.2804522313,166402021.765623,"[14.4578182488, 13.8280648166, 14.4578180198, 13.8280654237, 14.3753661824, 13.7557759732, 14.3753773839, 13.7557768089]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,4.63670921983698,0.00048064780797298,28.0,1.0,39.010853395731715,-39.010853395731715,dB,bcc,2.8278893837,0.0,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,4.63670921983698,0.00048064780797298,30.0,1.0,352.1496193071829,-352.1496193071829,dB,bcc,-11.691444646199999,784409.9919689529,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,4.63670921983698,0.00048064780797298,32.0,1.0,27.42996443891076,-27.42996443891076,dB,bcc,3.3648615297,206855079.2444731,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,4.63670921983698,0.00048064780797298,34.0,1.0,21.848869228262675,-21.848869228262675,dB,bcc,3.6236406859,110226560.3721692,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029573, -11.271052, -10.029573, -11.271052, -10.076742, -11.275203, -10.076742, -11.275203]",PBE,4.63670921983698,0.00048064780797298,38.0,1.0,20.212485629407887,-20.212485629407887,dB,bcc,3.6995150351,143006207.44408748,"[14.4566373839, 13.8266972453, 14.4566313112, 13.8267030758, 14.3736994815, 13.7540276113, 14.3736857453, 13.7540300336]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02958, -11.271065, -10.02958, -11.271065, -10.076739, -11.27519, -10.076739, -11.27519]",PBE,4.63670921983698,0.00048064780797298,42.0,1.0,23.738768931808913,-23.738768931808913,dB,bcc,3.5360115321,0.0,"[14.4563782083, 13.8264099641, 14.4563690805, 13.8264102313, 14.3735860333, 13.7538440182, 14.3735806854, 13.753845139]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029572, -11.271062, -10.029572, -11.271062, -10.076732, -11.275178, -10.076732, -11.275178]",PBE,4.63670921983698,0.00048064780797298,46.0,1.0,27.23285876403039,-27.23285876403039,dB,bcc,3.3740007467,224064929.12494648,"[14.456159057, 13.8261880313, 14.4561639042, 13.8261926392, 14.3733458, 13.7535564858, 14.3733456013, 13.7535575329]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,4.63670921983698,0.00048064780797298,50.0,1.0,25.379651156523327,-25.379651156523327,dB,bcc,3.4599285947000005,186937978.7230435,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,4.63670921983698,0.00048064780797298,54.0,1.0,24.103440751807025,-24.103440751807025,dB,bcc,3.5191027602,191915168.47631505,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029506, -11.270991, -10.029506, -11.270991, -10.076735, -11.275183, -10.076735, -11.275183]",PBE,4.63670921983698,0.00048064780797298,56.0,1.0,20.071157965987357,-20.071157965987357,dB,bcc,3.7060679879,204734868.99469832,"[14.4561778193, 13.8261167063, 14.4561832761, 13.8261160415, 14.3730660642, 13.753270628, 14.3730540367, 13.7532750589]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,4.63670921983698,0.00048064780797298,60.0,1.0,51415.96424265646,-51415.96424265646,dB,bcc,-2379.3720452875,18718541.319492705,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +17,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,4.63670921983698,0.00048064780797298,62.0,1.0,47492.23462570635,-47492.23462570635,dB,bcc,-2197.4401123769,844007.1240643051,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +18,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029466, -11.270964, -10.029466, -11.270964, -10.076741, -11.27519, -10.076741, -11.27519]",PBE,4.63670921983698,0.00048064780797298,66.0,1.0,18.545420259655902,-18.545420259655902,dB,bcc,3.7768120088,152371606.14169392,"[14.4559535219, 13.8258313841, 14.4559408804, 13.8258253312, 14.3729304433, 13.7531232448, 14.3729231234, 13.7531241661]" +19,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,4.63670921983698,0.00048064780797298,68.0,1.0,47333.9854942683,-47333.9854942683,dB,bcc,-2190.1025603092003,622578.624139554,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +20,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,4.63670921983698,0.00048064780797298,70.0,1.0,44857.882912087465,-44857.882912087465,dB,bcc,-2075.2928835886,521776.22051404463,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,4.63670921983698,0.00048064780797298,4.0,1.0,7642.605835918603,-7642.605835918603,dB,bcc,-349.72870021,1112.9940242011,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,4.63670921983698,0.00048064780797298,6.0,1.0,41995.88083557671,-41995.88083557671,dB,bcc,-1942.5901694351,37781393.23765411,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029339, -11.270613, -10.029339, -11.270613, -10.074033, -11.272649, -10.074033, -11.272649]",PBE,4.63670921983698,0.00048064780797298,12.0,1.0,25.05193026268358,-25.05193026268358,dB,bcc,3.4751240596,0.0,"[14.466131241, 13.837529762900001, 14.466131197, 13.8375298451, 14.3847355211, 13.7661672406, 14.3847356642, 13.7661673134]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,4.63670921983698,0.00048064780797298,20.0,1.0,31.45814612002482,-31.45814612002482,dB,bcc,3.1780864583,96707823.532305,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02875, -11.270343, -10.02875, -11.270343, -10.076623, -11.275043, -10.076623, -11.275043]",PBE,4.63670921983698,0.00048064780797298,22.0,1.0,21.364313358252993,-21.364313358252993,dB,bcc,3.6461081326,215128836.81819355,"[14.4575565701, 13.8277224227, 14.4575488731, 13.827717742, 14.3757419267, 13.756263321, 14.3757423803, 13.7562637458]" +26,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02919, -11.270628, -10.02919, -11.270628, -10.07668, -11.275081, -10.07668, -11.275081]",PBE,4.63670921983698,0.00048064780797298,26.0,1.0,29.25042145698031,-29.25042145698031,dB,bcc,3.2804522313,166402021.765623,"[14.4578182488, 13.8280648166, 14.4578180198, 13.8280654237, 14.3753661824, 13.7557759732, 14.3753773839, 13.7557768089]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,4.63670921983698,0.00048064780797298,28.0,1.0,39.010853395731715,-39.010853395731715,dB,bcc,2.8278893837,0.0,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,4.63670921983698,0.00048064780797298,30.0,1.0,352.1496193071829,-352.1496193071829,dB,bcc,-11.691444646199999,784409.9919689529,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,4.63670921983698,0.00048064780797298,32.0,1.0,27.42996443891076,-27.42996443891076,dB,bcc,3.3648615297,206855079.2444731,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,4.63670921983698,0.00048064780797298,34.0,1.0,21.848869228262675,-21.848869228262675,dB,bcc,3.6236406859,110226560.3721692,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029573, -11.271052, -10.029573, -11.271052, -10.076742, -11.275203, -10.076742, -11.275203]",PBE,4.63670921983698,0.00048064780797298,38.0,1.0,20.212485629407887,-20.212485629407887,dB,bcc,3.6995150351,143006207.44408748,"[14.4566373839, 13.8266972453, 14.4566313112, 13.8267030758, 14.3736994815, 13.7540276113, 14.3736857453, 13.7540300336]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02958, -11.271065, -10.02958, -11.271065, -10.076739, -11.27519, -10.076739, -11.27519]",PBE,4.63670921983698,0.00048064780797298,42.0,1.0,23.738768931808913,-23.738768931808913,dB,bcc,3.5360115321,0.0,"[14.4563782083, 13.8264099641, 14.4563690805, 13.8264102313, 14.3735860333, 13.7538440182, 14.3735806854, 13.753845139]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029572, -11.271062, -10.029572, -11.271062, -10.076732, -11.275178, -10.076732, -11.275178]",PBE,4.63670921983698,0.00048064780797298,46.0,1.0,27.23285876403039,-27.23285876403039,dB,bcc,3.3740007467,224064929.12494648,"[14.456159057, 13.8261880313, 14.4561639042, 13.8261926392, 14.3733458, 13.7535564858, 14.3733456013, 13.7535575329]" +34,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,4.63670921983698,0.00048064780797298,50.0,1.0,25.379651156523327,-25.379651156523327,dB,bcc,3.4599285947000005,186937978.7230435,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +35,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,4.63670921983698,0.00048064780797298,54.0,1.0,24.103440751807025,-24.103440751807025,dB,bcc,3.5191027602,191915168.47631505,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +36,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029506, -11.270991, -10.029506, -11.270991, -10.076735, -11.275183, -10.076735, -11.275183]",PBE,4.63670921983698,0.00048064780797298,56.0,1.0,20.071157965987357,-20.071157965987357,dB,bcc,3.7060679879,204734868.99469832,"[14.4561778193, 13.8261167063, 14.4561832761, 13.8261160415, 14.3730660642, 13.753270628, 14.3730540367, 13.7532750589]" +37,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,4.63670921983698,0.00048064780797298,60.0,1.0,51415.96424265646,-51415.96424265646,dB,bcc,-2379.3720452875,18718541.319492705,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +38,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,4.63670921983698,0.00048064780797298,62.0,1.0,47492.23462570635,-47492.23462570635,dB,bcc,-2197.4401123769,844007.1240643051,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +39,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029466, -11.270964, -10.029466, -11.270964, -10.076741, -11.27519, -10.076741, -11.27519]",PBE,4.63670921983698,0.00048064780797298,66.0,1.0,18.545420259655902,-18.545420259655902,dB,bcc,3.7768120088,152371606.14169392,"[14.4559535219, 13.8258313841, 14.4559408804, 13.8258253312, 14.3729304433, 13.7531232448, 14.3729231234, 13.7531241661]" +40,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,4.63670921983698,0.00048064780797298,68.0,1.0,47333.9854942683,-47333.9854942683,dB,bcc,-2190.1025603092003,622578.624139554,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +41,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,4.63670921983698,0.00048064780797298,70.0,1.0,44857.882912087465,-44857.882912087465,dB,bcc,-2075.2928835886,521776.22051404463,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,14.440270858310301,0.0035799189888421103,4.0,2.0,1.116243580686967,1.116243580686967,v0,bcc,14.6014594548,0.0264258666,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,14.440270858310301,0.0035799189888421103,6.0,2.0,0.15860863147535312,0.15860863147535312,v0,bcc,14.463174374300001,124.5493798395,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.028789, -11.270514, -10.028789, -11.270515, -10.076948, -11.275437, -10.076948, -11.275437]",PBE,14.440270858310301,0.0035799189888421103,14.0,2.0,185.06092145501952,185.06092145501952,v0,bcc,41.1635691693,1021644.6524027336,"[14.4579199639, 13.8291040609, 14.4579136563, 13.8291037928, 14.3798551935, 13.7608206606, 14.3798551881, 13.7608210149]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.030364, -11.271768, -10.030364, -11.271768, -10.07692, -11.27537, -10.07692, -11.27537]",PBE,14.440270858310301,0.0035799189888421103,16.0,2.0,374.404164317843,374.404164317843,v0,bcc,68.5052462906,671457.6846625193,"[14.4604880596, 13.8314970749, 14.4604807333, 13.8314974121, 14.3795362589, 13.760798175, 14.3795364633, 13.7607984172]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,14.440270858310301,0.0035799189888421103,20.0,2.0,99.99999696473837,-99.99999696473837,v0,bcc,4.383e-07,490172468.42885286,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,14.440270858310301,0.0035799189888421103,28.0,2.0,99.99999522515881,-99.99999522515881,v0,bcc,6.895e-07,27072944311.40604,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +6,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,14.440270858310301,0.0035799189888421103,30.0,2.0,266.0274328135751,266.0274328135751,v0,bcc,52.855352714,1084628.1361966215,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +7,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,14.440270858310301,0.0035799189888421103,32.0,2.0,99.99996455191145,-99.99996455191145,v0,bcc,5.1188e-06,2063116857.0770445,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +8,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,14.440270858310301,0.0035799189888421103,34.0,2.0,99.99998693514812,-99.99998693514812,v0,bcc,1.8866e-06,3282594783.6361127,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +9,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029427, -11.270946, -10.029427, -11.270946, -10.076738, -11.275187, -10.076738, -11.275187]",PBE,14.440270858310301,0.0035799189888421103,40.0,2.0,531.5646410469861,531.5646410469861,v0,bcc,91.1996448125,5670854.921259384,"[14.4560880848, 13.8260671899, 14.4560779493, 13.826072774, 14.3735785829, 13.7538355687, 14.3735696729, 13.7538464398]" +10,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029414, -11.270923, -10.029414, -11.270923, -10.076764, -11.275219, -10.076764, -11.275219]",PBE,14.440270858310301,0.0035799189888421103,44.0,2.0,372.72033836342837,372.72033836342837,v0,bcc,68.262097262,4749127.930194901,"[14.4561428366, 13.826092600700001, 14.4561513724, 13.8260906777, 14.3734065928, 13.753666384, 14.3733953185, 13.7536640597]" +11,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,14.440270858310301,0.0035799189888421103,50.0,2.0,99.99998543240622,-99.99998543240622,v0,bcc,2.1036e-06,15488726169.36541,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +12,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,14.440270858310301,0.0035799189888421103,54.0,2.0,99.99997142643625,-99.99997142643625,v0,bcc,4.1261e-06,77895311977.8819,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +13,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,14.440270858310301,0.0035799189888421103,60.0,2.0,0.015895713537657705,0.015895713537657705,v0,bcc,14.4425662424,59.1657490717,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +14,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,14.440270858310301,0.0035799189888421103,62.0,2.0,0.010524218725618886,0.010524218725618886,v0,bcc,14.441790584000001,2.9002252791000003,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +15,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,14.440270858310301,0.0035799189888421103,68.0,2.0,0.009214885252192924,0.009214885252192924,v0,bcc,14.4416015127,2.2064584121,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +16,TetraBloechl,PseudoPot_1_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,14.440270858310301,0.0035799189888421103,70.0,2.0,0.006343881625825729,0.006343881625825729,v0,bcc,14.441186932,1.9739264806,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +17,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-9.9146753, -9.9146753, -9.9224522, -11.167788, -9.9941104, -11.19553, -10.028294, -11.231222]",PBE,14.440270858310301,0.0035799189888421103,4.0,2.0,1.116243580686967,1.116243580686967,v0,bcc,14.6014594548,0.0264258666,"[14.6319522185, 14.6319522185, 14.6235972642, 13.9657861637, 14.4979299119, 13.86750739, 14.4976337071, 13.8675342311]" +18,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.013734, -11.255702, -10.013733, -11.255702, -10.101094, -11.299816, -10.101094, -11.299816]",PBE,14.440270858310301,0.0035799189888421103,6.0,2.0,0.15860863147535312,0.15860863147535312,v0,bcc,14.463174374300001,124.5493798395,"[14.4770258618, 13.8460772322, 14.4770261476, 13.8460799709, 14.3826703629, 13.7708401361, 14.3826707685, 13.7708402904]" +19,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.028789, -11.270514, -10.028789, -11.270515, -10.076948, -11.275437, -10.076948, -11.275437]",PBE,14.440270858310301,0.0035799189888421103,14.0,2.0,185.06092145501952,185.06092145501952,v0,bcc,41.1635691693,1021644.6524027336,"[14.4579199639, 13.8291040609, 14.4579136563, 13.8291037928, 14.3798551935, 13.7608206606, 14.3798551881, 13.7608210149]" +20,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.030364, -11.271768, -10.030364, -11.271768, -10.07692, -11.27537, -10.07692, -11.27537]",PBE,14.440270858310301,0.0035799189888421103,16.0,2.0,374.404164317843,374.404164317843,v0,bcc,68.5052462906,671457.6846625193,"[14.4604880596, 13.8314970749, 14.4604807333, 13.8314974121, 14.3795362589, 13.760798175, 14.3795364633, 13.7607984172]" +21,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.030567, -11.272075, -10.030567, -11.272075, -10.076869, -11.275345, -10.076869, -11.275345]",PBE,14.440270858310301,0.0035799189888421103,20.0,2.0,99.99999696473837,-99.99999696473837,v0,bcc,4.383e-07,490172468.42885286,"[14.457691565, 13.8283921932, 14.4576866054, 13.8283924746, 14.3770715828, 13.7578917218, 14.377071656, 13.7578933244]" +22,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.02972, -11.271254, -10.02972, -11.271254, -10.076774, -11.27523, -10.076774, -11.27523]",PBE,14.440270858310301,0.0035799189888421103,28.0,2.0,99.99999522515881,-99.99999522515881,v0,bcc,6.895e-07,27072944311.40604,"[14.4564964325, 13.8269060052, 14.4565102253, 13.826906324, 14.374629331, 13.7550342221, 14.3746293429, 13.7550344821]" +23,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029469, -11.270931, -10.029469, -11.270931, -10.076651, -11.275096, -10.076651, -11.275096]",PBE,14.440270858310301,0.0035799189888421103,30.0,2.0,266.0274328135751,266.0274328135751,v0,bcc,52.855352714,1084628.1361966215,"[14.4572673977, 13.8273763485, 14.4572767387, 13.8273830815, 14.374483679, 13.7547919119, 14.3744839075, 13.7547929408]" +24,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029579, -11.271104, -10.029579, -11.271104, -10.076807, -11.275258000000001, -10.076807, -11.275258000000001]",PBE,14.440270858310301,0.0035799189888421103,32.0,2.0,99.99996455191145,-99.99996455191145,v0,bcc,5.1188e-06,2063116857.0770445,"[14.4561948154, 13.8264025784, 14.4561907359, 13.8264060692, 14.3741826707, 13.7545883447, 14.3741803808, 13.7545870078]" +25,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029549, -11.271021, -10.029549, -11.271021, -10.076713, -11.275165, -10.076713, -11.275165]",PBE,14.440270858310301,0.0035799189888421103,34.0,2.0,99.99998693514812,-99.99998693514812,v0,bcc,1.8866e-06,3282594783.6361127,"[14.4569073889, 13.8270203617, 14.4569243438, 13.8270233657, 14.3740945107, 13.7544443356, 14.374086482, 13.7544465092]" +26,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029427, -11.270946, -10.029427, -11.270946, -10.076738, -11.275187, -10.076738, -11.275187]",PBE,14.440270858310301,0.0035799189888421103,40.0,2.0,531.5646410469861,531.5646410469861,v0,bcc,91.1996448125,5670854.921259384,"[14.4560880848, 13.8260671899, 14.4560779493, 13.826072774, 14.3735785829, 13.7538355687, 14.3735696729, 13.7538464398]" +27,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029414, -11.270923, -10.029414, -11.270923, -10.076764, -11.275219, -10.076764, -11.275219]",PBE,14.440270858310301,0.0035799189888421103,44.0,2.0,372.72033836342837,372.72033836342837,v0,bcc,68.262097262,4749127.930194901,"[14.4561428366, 13.826092600700001, 14.4561513724, 13.8260906777, 14.3734065928, 13.753666384, 14.3733953185, 13.7536640597]" +28,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029533, -11.271038, -10.029533, -11.271038, -10.076746, -11.275195, -10.076746, -11.275195]",PBE,14.440270858310301,0.0035799189888421103,50.0,2.0,99.99998543240622,-99.99998543240622,v0,bcc,2.1036e-06,15488726169.36541,"[14.4560363706, 13.8260604838, 14.4560395065, 13.8260599374, 14.3732113875, 13.7534245475, 14.3731972571, 13.7534288878]" +29,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029504, -11.271009, -10.029504, -11.271009, -10.07675, -11.275206, -10.07675, -11.275206]",PBE,14.440270858310301,0.0035799189888421103,54.0,2.0,99.99997142643625,-99.99997142643625,v0,bcc,4.1261e-06,77895311977.8819,"[14.4559711461, 13.8259511178, 14.4559686982, 13.8259507866, 14.3731424986, 13.753347706, 14.373138064, 13.7533539328]" +30,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029514, -11.271003, -10.029514, -10.029514, -10.076741, -11.275192, -10.076741, -11.275192]",PBE,14.440270858310301,0.0035799189888421103,60.0,2.0,0.015895713537657705,0.015895713537657705,v0,bcc,14.4425662424,59.1657490717,"[14.4561142262, 13.8260657091, 14.4561137264, 14.4561137264, 14.373018885, 13.7532145332, 14.3730101366, 13.7532148945]" +31,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029472, -11.270974, -10.029472, -10.029472, -10.076735, -11.275182, -10.076735, -11.275182]",PBE,14.440270858310301,0.0035799189888421103,62.0,2.0,0.010524218725618886,0.010524218725618886,v0,bcc,14.441790584000001,2.9002252791000003,"[14.4559243016, 13.8258465956, 14.4559135355, 14.4559135355, 14.3729883208, 13.7532199041, 14.3729776114, 13.7531835464]" +32,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029508, -11.271005, -10.029508, -11.271005, -10.076741, -11.275192, -10.076741, -10.076741]",PBE,14.440270858310301,0.0035799189888421103,68.0,2.0,0.009214885252192924,0.009214885252192924,v0,bcc,14.4416015127,2.2064584121,"[14.4559861711, 13.8259226687, 14.4559698513, 13.8259177415, 14.3729395664, 13.7531385942, 14.3729315576, 14.3729315576]" +33,TetraBloechl,PseudoPot_2_POT,VASP,Tc,"[-10.029481, -11.270969000000001, -10.029481, -10.029481, -10.076739, -11.275187, -10.076739, -10.076739]",PBE,14.440270858310301,0.0035799189888421103,70.0,2.0,0.006343881625825729,0.006343881625825729,v0,bcc,14.441186932,1.9739264806,"[14.4560098316, 13.8258384309, 14.4559952784, 14.4559952784, 14.3728933843, 13.7531114438, 14.3728875946, 14.3728875946]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,303.83904505108,0.005141241323935421,6.0,1.0,0.35873920427072364,-0.35873920427072364,B,hcp,302.7490552786,0.1694091445,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,303.83904505108,0.005141241323935421,16.0,1.0,0.0338097438736761,0.0338097438736761,B,hcp,303.941772254,0.0995690073,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,303.83904505108,0.005141241323935421,12.0,1.0,0.23373782983046446,-0.23373782983046446,B,hcp,303.128858261,0.3609575316,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,303.83904505108,0.005141241323935421,44.0,1.0,0.012384656854641204,0.012384656854641204,B,hcp,303.8766744742,0.1256226302,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,303.83904505108,0.005141241323935421,14.0,1.0,0.10503448836418253,0.10503448836418253,B,hcp,304.1581808375,0.1143730011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,303.83904505108,0.005141241323935421,30.0,1.0,0.013813242374085264,0.013813242374085264,B,hcp,303.8810150748,0.1106164543,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",PBE,303.83904505108,0.005141241323935421,66.0,1.0,0.011917222361571353,0.011917222361571353,B,hcp,303.8752542257,0.1177867207,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,303.83904505108,0.005141241323935421,24.0,1.0,0.012447923674059653,0.012447923674059653,B,hcp,303.87686670349996,0.1088348767,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,303.83904505108,0.005141241323935421,58.0,1.0,0.009114652027476857,-0.009114652027476857,B,hcp,303.8113511794,0.1157796754,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,303.83904505108,0.005141241323935421,54.0,1.0,0.006997533288198557,0.006997533288198557,B,hcp,303.8603062894,0.1098126526,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,303.83904505108,0.005141241323935421,16.0,1.0,0.0338097438736761,0.0338097438736761,B,hcp,303.941772254,0.0995690073,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,303.83904505108,0.005141241323935421,36.0,1.0,0.032034998926369025,0.032034998926369025,B,hcp,303.9363798859,0.1078422002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,303.83904505108,0.005141241323935421,40.0,1.0,0.005097446122306449,0.005097446122306449,B,hcp,303.8545330827,0.1058271065,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,303.83904505108,0.005141241323935421,44.0,1.0,0.012384656854641204,0.012384656854641204,B,hcp,303.8766744742,0.1256226302,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,303.83904505108,0.005141241323935421,46.0,1.0,0.02193639237801077,0.02193639237801077,B,hcp,303.9056963762,0.10787695580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,303.83904505108,0.005141241323935421,34.0,1.0,0.011346639426870886,-0.011346639426870886,B,hcp,303.8045695302,0.1145992299,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,303.83904505108,0.005141241323935421,42.0,1.0,0.014196355663502165,-0.014196355663502165,B,hcp,303.79591097959997,0.1125869491,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,303.83904505108,0.005141241323935421,64.0,1.0,0.0022519044972684654,0.0022519044972684654,B,hcp,303.84588721619997,0.1075014348,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,303.83904505108,0.005141241323935421,18.0,1.0,0.03268209053358713,-0.03268209053358713,B,hcp,303.7397440993,0.131371853,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,303.83904505108,0.005141241323935421,20.0,1.0,0.03647603203904505,0.03647603203904505,B,hcp,303.94987347849997,0.103408189,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,303.83904505108,0.005141241323935421,56.0,1.0,0.0026413223220405845,0.0026413223220405845,B,hcp,303.8470704196,0.10608753580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,303.83904505108,0.005141241323935421,24.0,1.0,0.012447923674059653,0.012447923674059653,B,hcp,303.87686670349996,0.1088348767,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,303.83904505108,0.005141241323935421,58.0,1.0,0.009114652027476857,-0.009114652027476857,B,hcp,303.8113511794,0.1157796754,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,303.83904505108,0.005141241323935421,54.0,1.0,0.006997533288198557,0.006997533288198557,B,hcp,303.8603062894,0.1098126526,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,303.83904505108,0.005141241323935421,22.0,1.0,0.025031328566478144,-0.025031328566478144,B,hcp,303.7629901014,0.141036871,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,303.83904505108,0.005141241323935421,56.0,1.0,0.0026413223220405845,0.0026413223220405845,B,hcp,303.8470704196,0.10608753580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,303.83904505108,0.005141241323935421,20.0,1.0,0.03647603203904505,0.03647603203904505,B,hcp,303.94987347849997,0.103408189,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,303.83904505108,0.005141241323935421,28.0,1.0,0.014371509584189764,-0.014371509584189764,B,hcp,303.7953787936,0.1187751497,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,303.83904505108,0.005141241323935421,8.0,1.0,0.002693785493768012,0.002693785493768012,B,hcp,303.8472298232,0.1583091002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,303.83904505108,0.005141241323935421,50.0,1.0,0.00028971083022716224,0.00028971083022716224,B,hcp,303.8399253057,0.10848864650000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,303.83904505108,0.005141241323935421,32.0,1.0,0.016289589809519448,0.016289589809519448,B,hcp,303.8885391852,0.1085219927,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,303.83904505108,0.005141241323935421,28.0,1.0,0.014371509584189764,-0.014371509584189764,B,hcp,303.7953787936,0.1187751497,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,303.83904505108,0.005141241323935421,46.0,1.0,0.02193639237801077,0.02193639237801077,B,hcp,303.9056963762,0.10787695580000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,303.83904505108,0.005141241323935421,10.0,1.0,0.19059254350363153,0.19059254350363153,B,hcp,304.4181396152,0.10771023560000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,303.83904505108,0.005141241323935421,8.0,1.0,0.002693785493768012,0.002693785493768012,B,hcp,303.8472298232,0.1583091002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,303.83904505108,0.005141241323935421,60.0,1.0,0.004337247050590011,0.004337247050590011,B,hcp,303.8522233011,0.11348426660000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,303.83904505108,0.005141241323935421,62.0,1.0,0.004684421805493936,-0.004684421805493936,B,hcp,303.82481194860003,0.1137837171,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,303.83904505108,0.005141241323935421,64.0,1.0,0.0022519044972684654,0.0022519044972684654,B,hcp,303.84588721619997,0.1075014348,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,303.83904505108,0.005141241323935421,4.0,1.0,0.2852526628611185,0.2852526628611185,B,hcp,304.7057540179,0.1836629593,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,303.83904505108,0.005141241323935421,36.0,1.0,0.032034998926369025,0.032034998926369025,B,hcp,303.9363798859,0.1078422002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,303.83904505108,0.005141241323935421,26.0,1.0,0.01622786364133427,0.01622786364133427,B,hcp,303.888351637,0.1378323425,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,303.83904505108,0.005141241323935421,62.0,1.0,0.004684421805493936,-0.004684421805493936,B,hcp,303.82481194860003,0.1137837171,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,303.83904505108,0.005141241323935421,60.0,1.0,0.004337247050590011,0.004337247050590011,B,hcp,303.8522233011,0.11348426660000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,303.83904505108,0.005141241323935421,48.0,1.0,0.003983751040934608,0.003983751040934608,B,hcp,303.8511492422,0.1097254565,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,303.83904505108,0.005141241323935421,4.0,1.0,0.2840388982511834,0.2840388982511834,B,hcp,304.7020661271,0.18548528390000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,303.83904505108,0.005141241323935421,52.0,1.0,0.0028682862396881667,0.0028682862396881667,B,hcp,303.8477600246,0.1053852224,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,303.83904505108,0.005141241323935421,38.0,1.0,0.0010604717769057373,0.0010604717769057373,B,hcp,303.8422671784,0.1121079719,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,303.83904505108,0.005141241323935421,6.0,1.0,0.35873920427072364,-0.35873920427072364,B,hcp,302.7490552786,0.1694091445,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,303.83904505108,0.005141241323935421,50.0,1.0,0.00028971083022716224,0.00028971083022716224,B,hcp,303.8399253057,0.10848864650000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,303.83904505108,0.005141241323935421,32.0,1.0,0.016289589809519448,0.016289589809519448,B,hcp,303.8885391852,0.1085219927,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",PBE,303.83904505108,0.005141241323935421,70.0,1.0,0.0024130145020513807,0.0024130145020513807,B,hcp,303.8463767313,0.1105193994,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,303.83904505108,0.005141241323935421,30.0,1.0,0.013813242374085264,0.013813242374085264,B,hcp,303.8810150748,0.1106164543,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,303.83904505108,0.005141241323935421,52.0,1.0,0.0028682862396881667,0.0028682862396881667,B,hcp,303.8477600246,0.1053852224,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",PBE,303.83904505108,0.005141241323935421,68.0,1.0,0.003957466058374167,-0.003957466058374167,B,hcp,303.827020724,0.1085597804,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,303.83904505108,0.005141241323935421,42.0,1.0,0.014196355663502165,-0.014196355663502165,B,hcp,303.79591097959997,0.1125869491,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,303.83904505108,0.005141241323935421,26.0,1.0,0.01622786364133427,0.01622786364133427,B,hcp,303.888351637,0.1378323425,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,303.83904505108,0.005141241323935421,48.0,1.0,0.003983751040934608,0.003983751040934608,B,hcp,303.8511492422,0.1097254565,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,303.83904505108,0.005141241323935421,10.0,1.0,0.19059254350363153,0.19059254350363153,B,hcp,304.4181396152,0.10771023560000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,303.83904505108,0.005141241323935421,22.0,1.0,0.025031328566478144,-0.025031328566478144,B,hcp,303.7629901014,0.141036871,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,303.83904505108,0.005141241323935421,18.0,1.0,0.03268209053358713,-0.03268209053358713,B,hcp,303.7397440993,0.131371853,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,303.83904505108,0.005141241323935421,34.0,1.0,0.011346639426870886,-0.011346639426870886,B,hcp,303.8045695302,0.1145992299,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,303.83904505108,0.005141241323935421,12.0,1.0,0.23343613700495613,-0.23343613700495613,B,hcp,303.1297749216,0.3626257275,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,303.83904505108,0.005141241323935421,38.0,1.0,0.0010604717769057373,0.0010604717769057373,B,hcp,303.8422671784,0.1121079719,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,303.83904505108,0.005141241323935421,14.0,1.0,0.10503448836418253,0.10503448836418253,B,hcp,304.1581808375,0.1143730011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,303.83904505108,0.005141241323935421,40.0,1.0,0.005097446122306449,0.005097446122306449,B,hcp,303.8545330827,0.1058271065,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,-20.7500653331105,2.83390723566942e-06,6.0,1.0,-0.1810499114455881,-0.1810499114455881,E0,hcp,-20.7124973582,1.1059e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,-20.7500653331105,2.83390723566942e-06,16.0,1.0,-0.007062423115178289,-0.007062423115178289,E0,hcp,-20.7485998757,6.1795000000000016e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,-20.7500653331105,2.83390723566942e-06,12.0,1.0,-0.015374414775496642,-0.015374414775496642,E0,hcp,-20.746875132,2.22695e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,-20.7500653331105,2.83390723566942e-06,44.0,1.0,-8.971061151529135e-05,-8.971061151529135e-05,E0,hcp,-20.7500467181,7.7332e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,-20.7500653331105,2.83390723566942e-06,14.0,1.0,-0.0059292974250808456,0.0059292974250808456,E0,hcp,-20.751295666199997,6.998099999999998e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,-20.7500653331105,2.83390723566942e-06,30.0,1.0,-0.0010446395518419463,0.0010446395518419463,E0,hcp,-20.7502820965,6.8013e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",PBE,-20.7500653331105,2.83390723566942e-06,66.0,1.0,-2.1140706916585755e-05,-2.1140706916585755e-05,E0,hcp,-20.7500609464,7.2501e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,-20.7500653331105,2.83390723566942e-06,24.0,1.0,-0.0009940392292245295,0.0009940392292245295,E0,hcp,-20.7502715969,6.6876e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,-20.7500653331105,2.83390723566942e-06,58.0,1.0,-8.088217891641265e-06,-8.088217891641265e-06,E0,hcp,-20.7500636548,7.1246e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,-20.7500653331105,2.83390723566942e-06,54.0,1.0,-7.575448430739117e-06,-7.575448430739117e-06,E0,hcp,-20.7500637612,6.7566000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,-20.7500653331105,2.83390723566942e-06,16.0,1.0,-0.007062423115178289,-0.007062423115178289,E0,hcp,-20.7485998757,6.1795000000000016e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,-20.7500653331105,2.83390723566942e-06,36.0,1.0,-0.0003226177287989155,0.0003226177287989155,E0,hcp,-20.7501322765,6.6399000000000014e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,-20.7500653331105,2.83390723566942e-06,40.0,1.0,-7.5262919549391305e-06,-7.5262919549391305e-06,E0,hcp,-20.7500637714,6.511600000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,-20.7500653331105,2.83390723566942e-06,44.0,1.0,-8.971061151529135e-05,-8.971061151529135e-05,E0,hcp,-20.7500467181,7.7332e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,-20.7500653331105,2.83390723566942e-06,46.0,1.0,-0.00013266507386087308,0.00013266507386087308,E0,hcp,-20.7500928612,6.6386e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,-20.7500653331105,2.83390723566942e-06,34.0,1.0,-0.00043351145672220447,-0.00043351145672220447,E0,hcp,-20.749975379200002,7.0487e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,-20.7500653331105,2.83390723566942e-06,42.0,1.0,-1.9108804900251993e-05,1.9108804900251993e-05,E0,hcp,-20.7500692982,6.929200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,-20.7500653331105,2.83390723566942e-06,64.0,1.0,-3.332707338946147e-05,3.332707338946147e-05,E0,hcp,-20.7500722485,6.6147e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,-20.7500653331105,2.83390723566942e-06,18.0,1.0,-0.0014903012811719948,0.0014903012811719948,E0,hcp,-20.750374571600002,8.059400000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,-20.7500653331105,2.83390723566942e-06,20.0,1.0,-0.0010702881457745508,0.0010702881457745508,E0,hcp,-20.7502874186,6.380300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,-20.7500653331105,2.83390723566942e-06,56.0,1.0,-4.29131684883599e-05,-4.29131684883599e-05,E0,hcp,-20.7500564286,6.5279000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,-20.7500653331105,2.83390723566942e-06,24.0,1.0,-0.0009940392292245295,0.0009940392292245295,E0,hcp,-20.7502715969,6.6876e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,-20.7500653331105,2.83390723566942e-06,58.0,1.0,-8.088217891641265e-06,-8.088217891641265e-06,E0,hcp,-20.7500636548,7.1246e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,-20.7500653331105,2.83390723566942e-06,54.0,1.0,-7.575448430739117e-06,-7.575448430739117e-06,E0,hcp,-20.7500637612,6.7566000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,-20.7500653331105,2.83390723566942e-06,22.0,1.0,-0.003404280416276115,-0.003404280416276115,E0,hcp,-20.7493589427,8.6927e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,-20.7500653331105,2.83390723566942e-06,56.0,1.0,-4.29131684883599e-05,-4.29131684883599e-05,E0,hcp,-20.7500564286,6.5279000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,-20.7500653331105,2.83390723566942e-06,20.0,1.0,-0.0010702881457745508,0.0010702881457745508,E0,hcp,-20.7502874186,6.380300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,-20.7500653331105,2.83390723566942e-06,28.0,1.0,-0.0016924785771052953,-0.0016924785771052953,E0,hcp,-20.7497141427,7.3086000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,-20.7500653331105,2.83390723566942e-06,8.0,1.0,-0.004614636123444101,-0.004614636123444101,E0,hcp,-20.7491077931,9.6305e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,-20.7500653331105,2.83390723566942e-06,50.0,1.0,-0.00010195587415932783,-0.00010195587415932783,E0,hcp,-20.7500441772,6.6749e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,-20.7500653331105,2.83390723566942e-06,32.0,1.0,-0.00011859919524921246,-0.00011859919524921246,E0,hcp,-20.7500407237,6.6838e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,-20.7500653331105,2.83390723566942e-06,28.0,1.0,-0.0016924785771052953,-0.0016924785771052953,E0,hcp,-20.7497141427,7.3086000000000015e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,-20.7500653331105,2.83390723566942e-06,46.0,1.0,-0.00013266507386087308,0.00013266507386087308,E0,hcp,-20.7500928612,6.6386e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,-20.7500653331105,2.83390723566942e-06,10.0,1.0,-0.017414122468977115,0.017414122468977115,E0,hcp,-20.7536787749,6.6494e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,-20.7500653331105,2.83390723566942e-06,8.0,1.0,-0.004614636123444101,-0.004614636123444101,E0,hcp,-20.7491077931,9.6305e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,-20.7500653331105,2.83390723566942e-06,60.0,1.0,-5.749328890356442e-06,5.749328890356442e-06,E0,hcp,-20.7500665261,6.9839e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,-20.7500653331105,2.83390723566942e-06,62.0,1.0,-5.109338370522075e-05,-5.109338370522075e-05,E0,hcp,-20.7500547312,7.002200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,-20.7500653331105,2.83390723566942e-06,64.0,1.0,-3.332707338946147e-05,3.332707338946147e-05,E0,hcp,-20.7500722485,6.6147e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,-20.7500653331105,2.83390723566942e-06,4.0,1.0,-0.38077764441263134,0.38077764441263134,E0,hcp,-20.8290769431,1.10243e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,-20.7500653331105,2.83390723566942e-06,36.0,1.0,-0.0003226177287989155,0.0003226177287989155,E0,hcp,-20.7501322765,6.6399000000000014e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,-20.7500653331105,2.83390723566942e-06,26.0,1.0,-0.0006549386101689608,0.0006549386101689608,E0,hcp,-20.7502012333,8.501300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,-20.7500653331105,2.83390723566942e-06,62.0,1.0,-5.109338370522075e-05,-5.109338370522075e-05,E0,hcp,-20.7500547312,7.002200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,-20.7500653331105,2.83390723566942e-06,60.0,1.0,-5.749328890356442e-06,5.749328890356442e-06,E0,hcp,-20.7500665261,6.9839e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,-20.7500653331105,2.83390723566942e-06,48.0,1.0,-3.8839446371862804e-05,-3.8839446371862804e-05,E0,hcp,-20.7500572739,6.7513e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,-20.7500653331105,2.83390723566942e-06,4.0,1.0,-0.38077622706770753,0.38077622706770753,E0,hcp,-20.829076649,1.1132000000000001e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,-20.7500653331105,2.83390723566942e-06,52.0,1.0,-7.61679023489136e-05,7.61679023489136e-05,E0,hcp,-20.750081138,6.4866e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,-20.7500653331105,2.83390723566942e-06,38.0,1.0,-7.468367087503459e-05,-7.468367087503459e-05,E0,hcp,-20.7500498362,6.899e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,-20.7500653331105,2.83390723566942e-06,6.0,1.0,-0.1810499114455881,-0.1810499114455881,E0,hcp,-20.7124973582,1.1059e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,-20.7500653331105,2.83390723566942e-06,50.0,1.0,-0.00010195587415932783,-0.00010195587415932783,E0,hcp,-20.7500441772,6.6749e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,-20.7500653331105,2.83390723566942e-06,32.0,1.0,-0.00011859919524921246,-0.00011859919524921246,E0,hcp,-20.7500407237,6.6838e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",PBE,-20.7500653331105,2.83390723566942e-06,70.0,1.0,-3.102924929726482e-05,3.102924929726482e-05,E0,hcp,-20.7500717717,6.8006000000000014e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,-20.7500653331105,2.83390723566942e-06,30.0,1.0,-0.0010446395518419463,0.0010446395518419463,E0,hcp,-20.7502820965,6.8013e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,-20.7500653331105,2.83390723566942e-06,52.0,1.0,-7.61679023489136e-05,7.61679023489136e-05,E0,hcp,-20.750081138,6.4866e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",PBE,-20.7500653331105,2.83390723566942e-06,68.0,1.0,-4.327943239145022e-05,-4.327943239145022e-05,E0,hcp,-20.7500563526,6.6802999999999985e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,-20.7500653331105,2.83390723566942e-06,42.0,1.0,-1.9108804900251993e-05,1.9108804900251993e-05,E0,hcp,-20.7500692982,6.929200000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,-20.7500653331105,2.83390723566942e-06,26.0,1.0,-0.0006549386101689608,0.0006549386101689608,E0,hcp,-20.7502012333,8.501300000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,-20.7500653331105,2.83390723566942e-06,48.0,1.0,-3.8839446371862804e-05,-3.8839446371862804e-05,E0,hcp,-20.7500572739,6.7513e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,-20.7500653331105,2.83390723566942e-06,10.0,1.0,-0.017414122468977115,0.017414122468977115,E0,hcp,-20.7536787749,6.6494e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,-20.7500653331105,2.83390723566942e-06,22.0,1.0,-0.003404280416276115,-0.003404280416276115,E0,hcp,-20.7493589427,8.6927e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,-20.7500653331105,2.83390723566942e-06,18.0,1.0,-0.0014903012811719948,0.0014903012811719948,E0,hcp,-20.750374571600002,8.059400000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,-20.7500653331105,2.83390723566942e-06,34.0,1.0,-0.00043351145672220447,-0.00043351145672220447,E0,hcp,-20.749975379200002,7.0487e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,-20.7500653331105,2.83390723566942e-06,12.0,1.0,-0.01537367646455854,-0.01537367646455854,E0,hcp,-20.7468752852,2.23713e-05,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,-20.7500653331105,2.83390723566942e-06,38.0,1.0,-7.468367087503459e-05,-7.468367087503459e-05,E0,hcp,-20.7500498362,6.899e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,-20.7500653331105,2.83390723566942e-06,14.0,1.0,-0.0059292974250808456,0.0059292974250808456,E0,hcp,-20.751295666199997,6.998099999999998e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,-20.7500653331105,2.83390723566942e-06,40.0,1.0,-7.5262919549391305e-06,-7.5262919549391305e-06,E0,hcp,-20.7500637714,6.511600000000001e-06,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,4.6365501494683095,0.0005586539106785571,6.0,1.0,1.1334626451594731,-1.1334626451594731,dB,hcp,4.5839965855,0.0310161269,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,4.6365501494683095,0.0005586539106785571,16.0,1.0,0.13748501283956316,-0.13748501283956316,dB,hcp,4.6301755879,0.017158543300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,4.6365501494683095,0.0005586539106785571,12.0,1.0,2.6220408482425395,-2.6220408482425395,dB,hcp,4.5149779106,0.0618293316,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,4.6365501494683095,0.0005586539106785571,44.0,1.0,0.09232600166743284,-0.09232600166743284,dB,hcp,4.6322694081,0.021456696600000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,4.6365501494683095,0.0005586539106785571,14.0,1.0,1.2700460327910628,1.2700460327910628,dB,hcp,4.6954364707,0.0194103157,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,4.6365501494683095,0.0005586539106785571,30.0,1.0,0.03417598388044486,0.03417598388044486,dB,hcp,4.6381347361000005,0.0188702574,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",PBE,4.6365501494683095,0.0005586539106785571,66.0,1.0,0.008578040902987891,-0.008578040902987891,dB,hcp,4.6361524243000005,0.0201173496,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,4.6365501494683095,0.0005586539106785571,24.0,1.0,0.12212870451405863,0.12212870451405863,dB,hcp,4.6422127081,0.0185570429,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,4.6365501494683095,0.0005586539106785571,58.0,1.0,0.052227615150171894,-0.052227615150171894,dB,hcp,4.6341285899,0.0197723981,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,4.6365501494683095,0.0005586539106785571,54.0,1.0,0.06954194234391474,0.06954194234391474,dB,hcp,4.639774496499999,0.0187497289,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,4.6365501494683095,0.0005586539106785571,16.0,1.0,0.13748501283956316,-0.13748501283956316,dB,hcp,4.6301755879,0.017158543300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,4.6365501494683095,0.0005586539106785571,36.0,1.0,0.08147928977159699,0.08147928977159699,dB,hcp,4.6403279776,0.0184228913,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,4.6365501494683095,0.0005586539106785571,40.0,1.0,0.021861556524019624,0.021861556524019624,dB,hcp,4.6375637715,0.0180699011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,4.6365501494683095,0.0005586539106785571,44.0,1.0,0.09232600166743284,-0.09232600166743284,dB,hcp,4.6322694081,0.021456696600000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,4.6365501494683095,0.0005586539106785571,46.0,1.0,0.08096635021020344,0.08096635021020344,dB,hcp,4.6403041949,0.0184206764,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,4.6365501494683095,0.0005586539106785571,34.0,1.0,0.14927767295051872,-0.14927767295051872,dB,hcp,4.629628815299999,0.0195601187,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,4.6365501494683095,0.0005586539106785571,42.0,1.0,0.10737472059652277,-0.10737472059652277,dB,hcp,4.6315716667,0.0192324718,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,4.6365501494683095,0.0005586539106785571,64.0,1.0,0.027517615264810023,0.027517615264810023,dB,hcp,4.6378260175,0.0183570088,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,4.6365501494683095,0.0005586539106785571,18.0,1.0,0.11963618616192856,-0.11963618616192856,dB,hcp,4.6310031577,0.0223639917,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,4.6365501494683095,0.0005586539106785571,20.0,1.0,0.0029444657620438836,0.0029444657620438836,dB,hcp,4.6366866711000005,0.017704891299999997,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,4.6365501494683095,0.0005586539106785571,56.0,1.0,0.027058114141928984,0.027058114141928984,dB,hcp,4.6378047125,0.018114598200000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,4.6365501494683095,0.0005586539106785571,24.0,1.0,0.12212870451405863,0.12212870451405863,dB,hcp,4.6422127081,0.0185570429,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,4.6365501494683095,0.0005586539106785571,58.0,1.0,0.052227615150171894,-0.052227615150171894,dB,hcp,4.6341285899,0.0197723981,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,4.6365501494683095,0.0005586539106785571,54.0,1.0,0.06954194234391474,0.06954194234391474,dB,hcp,4.639774496499999,0.0187497289,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,4.6365501494683095,0.0005586539106785571,22.0,1.0,0.5047735150884352,-0.5047735150884352,dB,hcp,4.6131460723,0.0241231888,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,4.6365501494683095,0.0005586539106785571,56.0,1.0,0.027058114141928984,0.027058114141928984,dB,hcp,4.6378047125,0.018114598200000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,4.6365501494683095,0.0005586539106785571,20.0,1.0,0.0029444657620438836,0.0029444657620438836,dB,hcp,4.6366866711000005,0.017704891299999997,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,4.6365501494683095,0.0005586539106785571,28.0,1.0,0.02930002669864848,0.02930002669864848,dB,hcp,4.6379086599,0.0202858124,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,4.6365501494683095,0.0005586539106785571,8.0,1.0,0.43606055831462753,-0.43606055831462753,dB,hcp,4.616331983,0.0266793238,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,4.6365501494683095,0.0005586539106785571,50.0,1.0,0.015683419962011655,0.015683419962011655,dB,hcp,4.6372773191,0.0185241456,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,4.6365501494683095,0.0005586539106785571,32.0,1.0,0.0926774885026031,0.0926774885026031,dB,hcp,4.6408471877,0.0185480869,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,4.6365501494683095,0.0005586539106785571,28.0,1.0,0.02930002669864848,0.02930002669864848,dB,hcp,4.6379086599,0.0202858124,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,4.6365501494683095,0.0005586539106785571,46.0,1.0,0.08096635021020344,0.08096635021020344,dB,hcp,4.6403041949,0.0184206764,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,4.6365501494683095,0.0005586539106785571,10.0,1.0,0.5850398757102127,0.5850398757102127,dB,hcp,4.6636758167000005,0.0184340525,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,4.6365501494683095,0.0005586539106785571,8.0,1.0,0.43606055831462753,-0.43606055831462753,dB,hcp,4.616331983,0.0266793238,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,4.6365501494683095,0.0005586539106785571,60.0,1.0,0.016895484928173485,0.016895484928173485,dB,hcp,4.6373335171,0.019379585300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,4.6365501494683095,0.0005586539106785571,62.0,1.0,0.07986619035563869,-0.07986619035563869,dB,hcp,4.6328471135000004,0.0194313301,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,4.6365501494683095,0.0005586539106785571,64.0,1.0,0.027517615264810023,0.027517615264810023,dB,hcp,4.6378260175,0.0183570088,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,4.6365501494683095,0.0005586539106785571,4.0,1.0,2.6234612138432185,2.6234612138432185,dB,hcp,4.7581882443,0.0304912827,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,4.6365501494683095,0.0005586539106785571,36.0,1.0,0.08147928977159699,0.08147928977159699,dB,hcp,4.6403279776,0.0184228913,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,4.6365501494683095,0.0005586539106785571,26.0,1.0,0.5518956323861539,-0.5518956323861539,dB,hcp,4.6109612317,0.0235846437,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,4.6365501494683095,0.0005586539106785571,62.0,1.0,0.07986619035563869,-0.07986619035563869,dB,hcp,4.6328471135000004,0.0194313301,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,4.6365501494683095,0.0005586539106785571,60.0,1.0,0.016895484928173485,0.016895484928173485,dB,hcp,4.6373335171,0.019379585300000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,4.6365501494683095,0.0005586539106785571,48.0,1.0,0.10368210580537537,0.10368210580537537,dB,hcp,4.6413574223000005,0.0187360986,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,4.6365501494683095,0.0005586539106785571,4.0,1.0,2.6124173496878984,2.6124173496878984,dB,hcp,4.75767619,0.0307949343,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,4.6365501494683095,0.0005586539106785571,52.0,1.0,0.05932252816515546,-0.05932252816515546,dB,hcp,4.6337996307,0.0180005809,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,4.6365501494683095,0.0005586539106785571,38.0,1.0,0.027735989622737826,-0.027735989622737826,dB,hcp,4.6352641564,0.019144674,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,4.6365501494683095,0.0005586539106785571,6.0,1.0,1.1334626451594731,-1.1334626451594731,dB,hcp,4.5839965855,0.0310161269,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,4.6365501494683095,0.0005586539106785571,50.0,1.0,0.015683419962011655,0.015683419962011655,dB,hcp,4.6372773191,0.0185241456,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,4.6365501494683095,0.0005586539106785571,32.0,1.0,0.0926774885026031,0.0926774885026031,dB,hcp,4.6408471877,0.0185480869,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",PBE,4.6365501494683095,0.0005586539106785571,70.0,1.0,0.018250928048047756,0.018250928048047756,dB,hcp,4.637396362900001,0.0188718002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,4.6365501494683095,0.0005586539106785571,30.0,1.0,0.03417598388044486,0.03417598388044486,dB,hcp,4.6381347361000005,0.0188702574,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,4.6365501494683095,0.0005586539106785571,52.0,1.0,0.05932252816515546,-0.05932252816515546,dB,hcp,4.6337996307,0.0180005809,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",PBE,4.6365501494683095,0.0005586539106785571,68.0,1.0,0.0013811555196225557,-0.0013811555196225557,dB,hcp,4.6364861115,0.0185396489,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,4.6365501494683095,0.0005586539106785571,42.0,1.0,0.10737472059652277,-0.10737472059652277,dB,hcp,4.6315716667,0.0192324718,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,4.6365501494683095,0.0005586539106785571,26.0,1.0,0.5518956323861539,-0.5518956323861539,dB,hcp,4.6109612317,0.0235846437,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,4.6365501494683095,0.0005586539106785571,48.0,1.0,0.10368210580537537,0.10368210580537537,dB,hcp,4.6413574223000005,0.0187360986,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,4.6365501494683095,0.0005586539106785571,10.0,1.0,0.5850398757102127,0.5850398757102127,dB,hcp,4.6636758167000005,0.0184340525,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,4.6365501494683095,0.0005586539106785571,22.0,1.0,0.5047735150884352,-0.5047735150884352,dB,hcp,4.6131460723,0.0241231888,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,4.6365501494683095,0.0005586539106785571,18.0,1.0,0.11963618616192856,-0.11963618616192856,dB,hcp,4.6310031577,0.0223639917,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,4.6365501494683095,0.0005586539106785571,34.0,1.0,0.14927767295051872,-0.14927767295051872,dB,hcp,4.629628815299999,0.0195601187,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,4.6365501494683095,0.0005586539106785571,12.0,1.0,2.623497055936261,-2.623497055936261,dB,hcp,4.5149103928,0.0621128756,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,4.6365501494683095,0.0005586539106785571,38.0,1.0,0.027735989622737826,-0.027735989622737826,dB,hcp,4.6352641564,0.019144674,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,4.6365501494683095,0.0005586539106785571,14.0,1.0,1.2700460327910628,1.2700460327910628,dB,hcp,4.6954364707,0.0194103157,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,4.6365501494683095,0.0005586539106785571,40.0,1.0,0.021861556524019624,0.021861556524019624,dB,hcp,4.6375637715,0.0180699011,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,28.610618253245807,2.4556147665903e-05,6.0,1.0,0.1544080559992097,0.1544080559992097,v0,hcp,28.6547953527,0.0002178921,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,28.610618253245807,2.4556147665903e-05,16.0,1.0,0.02248081987345505,0.02248081987345505,v0,hcp,28.6170501548,0.00011673360000000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +2,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736561000000002, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,28.610618253245807,2.4556147665903e-05,12.0,1.0,0.007195659094010715,0.007195659094010715,v0,hcp,28.6126769758,0.0004194382,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,28.610618253245807,2.4556147665903e-05,44.0,1.0,0.0009601943997142313,0.0009601943997142313,v0,hcp,28.6108929708,0.0001452841,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,28.610618253245807,2.4556147665903e-05,14.0,1.0,0.014945305298741008,-0.014945305298741008,v0,hcp,28.606342309000002,0.0001309264,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,28.610618253245807,2.4556147665903e-05,30.0,1.0,0.0021874632007798244,-0.0021874632007798244,v0,hcp,28.6099924065,0.0001276811,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72239, -20.737828, -20.746937, -20.750055, -20.747515, -20.739621, -20.726666, -20.70893, -20.686682, -20.660165, -20.629623]",PBE,28.610618253245807,2.4556147665903e-05,66.0,1.0,0.0006757479075795594,0.0006757479075795594,v0,hcp,28.6108115889,0.0001362024,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,28.610618253245807,2.4556147665903e-05,24.0,1.0,0.0036239746258786526,-0.0036239746258786526,v0,hcp,28.609581411700002,0.0001255072,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,28.610618253245807,2.4556147665903e-05,58.0,1.0,0.000111513683180865,0.000111513683180865,v0,hcp,28.610650158000002,0.0001338463,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,28.610618253245807,2.4556147665903e-05,54.0,1.0,0.00030607987925994925,-0.00030607987925994925,v0,hcp,28.610530681900002,0.0001269203,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.720525, -20.73611, -20.745348, -20.748584, -20.746163, -20.738382, -20.725531, -20.707894, -20.685735, -20.659303, -20.628836]",PBE,28.610618253245807,2.4556147665903e-05,16.0,1.0,0.02248081987345505,0.02248081987345505,v0,hcp,28.6170501548,0.00011673360000000001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,28.610618253245807,2.4556147665903e-05,36.0,1.0,0.0015919836130849408,0.0015919836130849408,v0,hcp,28.6110737296,0.00012475030000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,28.610618253245807,2.4556147665903e-05,40.0,1.0,0.00010675737776020577,-0.00010675737776020577,v0,hcp,28.6105877093,0.00012231280000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +13,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722372, -20.737811, -20.74692, -20.750039, -20.747504, -20.739611, -20.726655, -20.708919, -20.686669, -20.660152, -20.629608]",PBE,28.610618253245807,2.4556147665903e-05,44.0,1.0,0.0009601943997142313,0.0009601943997142313,v0,hcp,28.6108929708,0.0001452841,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +14,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,28.610618253245807,2.4556147665903e-05,46.0,1.0,0.00016613326482681716,0.00016613326482681716,v0,hcp,28.610665785,0.00012469,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,28.610618253245807,2.4556147665903e-05,34.0,1.0,0.0011521465313715559,-0.0011521465313715559,v0,hcp,28.610288617,0.0001323807,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,28.610618253245807,2.4556147665903e-05,42.0,1.0,0.000622360735490528,0.000622360735490528,v0,hcp,28.610796314499996,0.0001302005,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +17,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,28.610618253245807,2.4556147665903e-05,64.0,1.0,0.00012634905504235204,-0.00012634905504235204,v0,hcp,28.610582104000002,0.00012426480000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,28.610618253245807,2.4556147665903e-05,18.0,1.0,0.007992418848015409,-0.007992418848015409,v0,hcp,28.6083315728,0.0001511379,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,28.610618253245807,2.4556147665903e-05,20.0,1.0,0.007072420582746412,0.007072420582746412,v0,hcp,28.6126417165,0.000120036,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,28.610618253245807,2.4556147665903e-05,56.0,1.0,0.00013943056194735593,-0.00013943056194735593,v0,hcp,28.6105783613,0.0001226183,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722676, -20.738089, -20.747174, -20.750267, -20.747704, -20.739785, -20.72681, -20.70906, -20.686793, -20.660263, -20.629706]",PBE,28.610618253245807,2.4556147665903e-05,24.0,1.0,0.0036239746258786526,-0.0036239746258786526,v0,hcp,28.609581411700002,0.0001255072,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +22,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722409, -20.737841, -20.746943, -20.750058, -20.747516, -20.739619, -20.726664, -20.70893, -20.686682, -20.660167, -20.629627]",PBE,28.610618253245807,2.4556147665903e-05,58.0,1.0,0.000111513683180865,0.000111513683180865,v0,hcp,28.610650158000002,0.0001338463,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.72241, -20.737844, -20.746946, -20.750058, -20.747513, -20.739613, -20.726655, -20.708918, -20.686668, -20.660151, -20.629608]",PBE,28.610618253245807,2.4556147665903e-05,54.0,1.0,0.00030607987925994925,-0.00030607987925994925,v0,hcp,28.610530681900002,0.0001269203,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,28.610618253245807,2.4556147665903e-05,22.0,1.0,0.0042698883448691475,0.0042698883448691475,v0,hcp,28.611839894699997,0.0001634703,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722401, -20.737836, -20.746938, -20.750051, -20.747506, -20.739607, -20.726651, -20.708915, -20.686666, -20.660149, -20.629606]",PBE,28.610618253245807,2.4556147665903e-05,56.0,1.0,0.00013943056194735593,-0.00013943056194735593,v0,hcp,28.6105783613,0.0001226183,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722492, -20.737977, -20.747127, -20.750279, -20.747774, -20.739909, -20.726982, -20.709277, -20.687053, -20.660554, -20.630031]",PBE,28.610618253245807,2.4556147665903e-05,20.0,1.0,0.007072420582746412,0.007072420582746412,v0,hcp,28.6126417165,0.000120036,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +27,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,28.610618253245807,2.4556147665903e-05,28.0,1.0,0.00010514818499499319,-0.00010514818499499319,v0,hcp,28.610588169699998,0.0001373225,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,28.610618253245807,2.4556147665903e-05,8.0,1.0,0.030354854861706,-0.030354854861706,v0,hcp,28.601933541599998,0.0001794725,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,28.610618253245807,2.4556147665903e-05,50.0,1.0,0.0003022676582516633,-0.0003022676582516633,v0,hcp,28.6105317726,0.000125387,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,28.610618253245807,2.4556147665903e-05,32.0,1.0,0.002226052749221145,0.002226052749221145,v0,hcp,28.611255140700003,0.0001256202,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722064, -20.737494, -20.746595, -20.749708, -20.747166, -20.739268, -20.726314, -20.70858, -20.686334, -20.659822, -20.629287]",PBE,28.610618253245807,2.4556147665903e-05,28.0,1.0,0.00010514818499499319,-0.00010514818499499319,v0,hcp,28.610588169699998,0.0001373225,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +32,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722426, -20.737866, -20.746972, -20.750087, -20.747544, -20.739645, -20.726688, -20.708951, -20.686700000000002, -20.660181, -20.629636]",PBE,28.610618253245807,2.4556147665903e-05,46.0,1.0,0.00016613326482681716,0.00016613326482681716,v0,hcp,28.610665785,0.00012469,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,28.610618253245807,2.4556147665903e-05,10.0,1.0,0.008515355497135217,0.008515355497135217,v0,hcp,28.6130545491,0.0001250058,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722003, -20.737247, -20.746166, -20.749094, -20.746398, -20.738351, -20.725238, -20.707351, -20.684941, -20.658286, -20.627609]",PBE,28.610618253245807,2.4556147665903e-05,8.0,1.0,0.030354854861706,-0.030354854861706,v0,hcp,28.601933541599998,0.0001794725,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,28.610618253245807,2.4556147665903e-05,60.0,1.0,0.00011114109423234552,0.00011114109423234552,v0,hcp,28.6106500514,0.000131199,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +36,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,28.610618253245807,2.4556147665903e-05,62.0,1.0,0.0001710597574621151,0.0001710597574621151,v0,hcp,28.6106671945,0.0001315402,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746954, -20.750067, -20.747522, -20.739623, -20.726667, -20.708931, -20.686683, -20.660165, -20.629623]",PBE,28.610618253245807,2.4556147665903e-05,64.0,1.0,0.00012634905504235204,-0.00012634905504235204,v0,hcp,28.610582104000002,0.00012426480000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829047, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,28.610618253245807,2.4556147665903e-05,4.0,1.0,0.06623600642974067,-0.06623600642974067,v0,hcp,28.5916677223,0.0002034734,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722437, -20.737887, -20.747002, -20.750127, -20.747591, -20.739698, -20.726746, -20.709015, -20.686768, -20.660253, -20.62971]",PBE,28.610618253245807,2.4556147665903e-05,36.0,1.0,0.0015919836130849408,0.0015919836130849408,v0,hcp,28.6110737296,0.00012475030000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,28.610618253245807,2.4556147665903e-05,26.0,1.0,0.006290838381264609,0.006290838381264609,v0,hcp,28.612418101,0.0001599019,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722398, -20.737831, -20.746934, -20.750049, -20.747507, -20.73961, -20.726655, -20.708919, -20.686671, -20.660154, -20.629611]",PBE,28.610618253245807,2.4556147665903e-05,62.0,1.0,0.0001710597574621151,0.0001710597574621151,v0,hcp,28.6106671945,0.0001315402,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +42,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746946, -20.750061, -20.747518, -20.73962, -20.726665, -20.708929, -20.68668, -20.660163, -20.629622]",PBE,28.610618253245807,2.4556147665903e-05,60.0,1.0,0.00011114109423234552,0.00011114109423234552,v0,hcp,28.6106500514,0.000131199,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +43,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,28.610618253245807,2.4556147665903e-05,48.0,1.0,0.00019387258714678837,-0.00019387258714678837,v0,hcp,28.6105627851,0.0001268165,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +44,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.802471, -20.817624, -20.826343, -20.829045999999998, -20.826167, -20.817899, -20.80458, -20.786571, -20.764019, -20.737214, -20.706403]",PBE,28.610618253245807,2.4556147665903e-05,4.0,1.0,0.06623168216107794,-0.06623168216107794,v0,hcp,28.591668959499998,0.0002054764,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,28.610618253245807,2.4556147665903e-05,52.0,1.0,0.0007429372979904782,0.0007429372979904782,v0,hcp,28.610830812199996,0.0001218695,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +46,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,28.610618253245807,2.4556147665903e-05,38.0,1.0,9.737942027672002e-05,9.737942027672002e-05,v0,hcp,28.6106461141,0.0001296031,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.68211, -20.698419, -20.708406, -20.712399, -20.710711, -20.703626, -20.691451999999998, -20.674502, -20.653005, -20.62722, -20.597373]",PBE,28.610618253245807,2.4556147665903e-05,6.0,1.0,0.1544080559992097,0.1544080559992097,v0,hcp,28.6547953527,0.0002178921,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +48,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722393, -20.737825, -20.746927, -20.750039, -20.747493, -20.739594, -20.726636, -20.7089, -20.686651, -20.660133, -20.62959]",PBE,28.610618253245807,2.4556147665903e-05,50.0,1.0,0.0003022676582516633,-0.0003022676582516633,v0,hcp,28.6105317726,0.000125387,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +49,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722338, -20.73779, -20.746908, -20.750034, -20.747503, -20.739615, -20.726669, -20.708942, -20.686703, -20.660194, -20.62966]",PBE,28.610618253245807,2.4556147665903e-05,32.0,1.0,0.002226052749221145,0.002226052749221145,v0,hcp,28.611255140700003,0.0001256202,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722417, -20.737851, -20.746953, -20.750066, -20.747522, -20.739623, -20.726666, -20.70893, -20.686681, -20.660163, -20.629621]",PBE,28.610618253245807,2.4556147665903e-05,70.0,1.0,0.00014258218904692534,-0.00014258218904692534,v0,hcp,28.6105774596,0.0001277452,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +51,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722661, -20.738084, -20.747175, -20.750277, -20.747721, -20.739811, -20.726843, -20.709095, -20.686834, -20.660306, -20.629752]",PBE,28.610618253245807,2.4556147665903e-05,30.0,1.0,0.0021874632007798244,-0.0021874632007798244,v0,hcp,28.6099924065,0.0001276811,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722411, -20.73785, -20.746958, -20.750076, -20.747535, -20.73964, -20.726688, -20.708956, -20.686708, -20.660192, -20.629649]",PBE,28.610618253245807,2.4556147665903e-05,52.0,1.0,0.0007429372979904782,0.0007429372979904782,v0,hcp,28.610830812199996,0.0001218695,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +53,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.7224, -20.737834, -20.746937, -20.750051, -20.747507, -20.73961, -20.726655, -20.708921, -20.686673, -20.660158, -20.629617]",PBE,28.610618253245807,2.4556147665903e-05,68.0,1.0,5.2721175266528665e-05,5.2721175266528665e-05,v0,hcp,28.6106333371,0.0001255001,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737842, -20.746947, -20.750063, -20.747523, -20.73963, -20.726679, -20.708947, -20.686701, -20.660187, -20.629649]",PBE,28.610618253245807,2.4556147665903e-05,42.0,1.0,0.000622360735490528,0.000622360735490528,v0,hcp,28.610796314499996,0.0001302005,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +55,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722434, -20.737907, -20.747043, -20.750189, -20.747682, -20.739822, -20.726891, -20.709167, -20.686927, -20.660418, -20.62988]",PBE,28.610618253245807,2.4556147665903e-05,26.0,1.0,0.006290838381264609,0.006290838381264609,v0,hcp,28.612418101,0.0001599019,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +56,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722402, -20.737836, -20.746939, -20.750052, -20.747507, -20.739608, -20.726651, -20.708916, -20.686668, -20.660153, -20.629613]",PBE,28.610618253245807,2.4556147665903e-05,48.0,1.0,0.00019387258714678837,-0.00019387258714678837,v0,hcp,28.6105627851,0.0001268165,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +57,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.725807, -20.741327, -20.750508, -20.753667, -20.751172, -20.743303, -20.73036, -20.71265, -20.690409, -20.663897, -20.633354]",PBE,28.610618253245807,2.4556147665903e-05,10.0,1.0,0.008515355497135217,0.008515355497135217,v0,hcp,28.6130545491,0.0001250058,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +58,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.721640999999998, -20.737091, -20.746211, -20.749349, -20.746837, -20.738961, -20.726024, -20.708302, -20.686065, -20.659559, -20.629026]",PBE,28.610618253245807,2.4556147665903e-05,22.0,1.0,0.0042698883448691475,0.0042698883448691475,v0,hcp,28.611839894699997,0.0001634703,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +59,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722876, -20.738248, -20.747298999999998, -20.750374, -20.747787, -20.739848, -20.726855, -20.709087, -20.686804, -20.66026, -20.629692]",PBE,28.610618253245807,2.4556147665903e-05,18.0,1.0,0.007992418848015409,-0.007992418848015409,v0,hcp,28.6083315728,0.0001511379,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +60,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.722345, -20.737769, -20.746863, -20.74997, -20.74742, -20.739517, -20.726556, -20.708815, -20.686563, -20.660033, -20.629489]",PBE,28.610618253245807,2.4556147665903e-05,34.0,1.0,0.0011521465313715559,-0.0011521465313715559,v0,hcp,28.610288617,0.0001323807,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +61,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.719195, -20.734616, -20.743709, -20.746815, -20.744401, -20.736562, -20.723616, -20.7059, -20.683664, -20.657172, -20.626648]",PBE,28.610618253245807,2.4556147665903e-05,12.0,1.0,0.0072045030133525735,0.0072045030133525735,v0,hcp,28.6126795061,0.0004213426,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +62,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722392, -20.737826, -20.74693, -20.750044, -20.747501, -20.739604, -20.726648, -20.708912, -20.686663, -20.660146, -20.629603]",PBE,28.610618253245807,2.4556147665903e-05,38.0,1.0,9.737942027672002e-05,9.737942027672002e-05,v0,hcp,28.6106461141,0.0001296031,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +63,TetraBloechl,PseudoPot_ISPIN_1,VASP,Tc,"[-20.723865, -20.739225, -20.748261, -20.751308, -20.74866, -20.740678, -20.727647, -20.709851, -20.68754, -20.660966, -20.630384]",PBE,28.610618253245807,2.4556147665903e-05,14.0,1.0,0.014945305298741008,-0.014945305298741008,v0,hcp,28.606342309000002,0.0001309264,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +64,TetraBloechl,PseudoPot_ISPIN_2,VASP,Tc,"[-20.722407, -20.737843, -20.746945, -20.750058, -20.747514, -20.739614, -20.726658, -20.708922, -20.686673, -20.660154, -20.629611]",PBE,28.610618253245807,2.4556147665903e-05,40.0,1.0,0.00010675737776020577,-0.00010675737776020577,v0,hcp,28.6105877093,0.00012231280000000002,"[27.7237465271, 28.0155754379, 28.3074043487, 28.5992332595, 28.8910621703, 29.1828910812, 29.474719992, 29.7665489028, 30.0583778136, 30.3502067244, 30.6420356352]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,116.754747050559,0.00550993572372516,68.0,1.0,4.371796644935269,-4.371796644935269,B,bcc,111.6504669362,0.0170879439,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,116.754747050559,0.00550993572372516,70.0,1.0,4.356154901656014,-4.356154901656014,B,bcc,111.668729414,0.0159915684,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,116.754747050559,0.00550993572372516,68.0,1.0,4.371796644935269,-4.371796644935269,B,bcc,111.6504669362,0.0170879439,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,116.754747050559,0.00550993572372516,70.0,1.0,4.356154901656014,-4.356154901656014,B,bcc,111.668729414,0.0159915684,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,-23.3273371582889,3.11290360308866e-06,68.0,1.0,-67.15599527064924,-67.15599527064924,E0,bcc,-7.661631719500001,1.1954e-06,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,-23.3273371582889,3.11290360308866e-06,70.0,1.0,-67.15599444243642,-67.15599444243642,E0,bcc,-7.6616319127,1.1186e-06,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,-23.3273371582889,3.11290360308866e-06,68.0,1.0,-67.15599527064924,-67.15599527064924,E0,bcc,-7.661631719500001,1.1954e-06,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,-23.3273371582889,3.11290360308866e-06,70.0,1.0,-67.15599444243642,-67.15599444243642,E0,bcc,-7.6616319127,1.1186e-06,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,3.73122462327298,0.00333501136945536,68.0,1.0,5.809945630740977,-5.809945630740977,dB,bcc,3.5144425013,0.0168318606,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,3.73122462327298,0.00333501136945536,70.0,1.0,5.993650462051494,-5.993650462051494,dB,bcc,3.5075880614,0.0157481014,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,3.73122462327298,0.00333501136945536,68.0,1.0,5.809945630740977,-5.809945630740977,dB,bcc,3.5144425013,0.0168318606,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,3.73122462327298,0.00333501136945536,70.0,1.0,5.993650462051494,-5.993650462051494,dB,bcc,3.5075880614,0.0157481014,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,50.5586733444579,0.000156226603273091,68.0,1.0,66.47217315392999,-66.47217315392999,v0,bcc,16.951224454600002,9.18841e-05,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,50.5586733444579,0.000156226603273091,70.0,1.0,66.47217664531907,-66.47217664531907,v0,bcc,16.9512226894,8.59601e-05,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.64572994, -7.65161988, -7.65609515, -7.65921732, -7.66104417, -7.6616339, -7.66104113, -7.65931762, -7.65651424, -7.65267926, -7.64785916]",PBE,50.5586733444579,0.000156226603273091,68.0,1.0,66.47217315392999,-66.47217315392999,v0,bcc,16.951224454600002,9.18841e-05,"[16.1050590609, 16.2745859983, 16.4441129358, 16.6136398733, 16.7831668108, 16.9526937483, 17.1222206857, 17.2917476232, 17.4612745607, 17.6308014982, 17.8003284357]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Ti,"[-7.6457252, -7.65161714, -7.65609282, -7.65921521, -7.66104329, -7.66163415, -7.6610419, -7.65931899, -7.65651579, -7.65267933, -7.64785912]",PBE,50.5586733444579,0.000156226603273091,70.0,1.0,66.47217664531907,-66.47217664531907,v0,bcc,16.9512226894,8.59601e-05,"[16.1049598246, 16.2744857175, 16.4440116104, 16.6135375033, 16.7830633962, 16.9525892891, 17.1221151819, 17.2916410748, 17.4611669677, 17.6306928606, 17.8002187535]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,116.68905125377701,0.0026235775960192697,38.0,1.0,0.06713492421204892,0.06713492421204892,B,hcp,116.76739035989999,0.016013470000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,116.68905125377701,0.0026235775960192697,44.0,1.0,0.00920976578994002,0.00920976578994002,B,hcp,116.69979804209999,0.0109737627,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,116.68905125377701,0.0026235775960192697,48.0,1.0,0.009038667989555323,0.009038667989555323,B,hcp,116.6995983897,0.0091640196,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",PBE,116.68905125377701,0.0026235775960192697,20.0,1.0,0.09030469156340318,0.09030469156340318,B,hcp,116.7944269416,0.024529174900000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,116.68905125377701,0.0026235775960192697,50.0,1.0,0.008429237291164406,0.008429237291164406,B,hcp,116.6988872508,0.0097032677,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,116.68905125377701,0.0026235775960192697,42.0,1.0,0.003258325080322159,0.003258325080322159,B,hcp,116.6928533624,0.0109501383,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,116.68905125377701,0.0026235775960192697,44.0,1.0,0.010715069570492158,0.010715069570492158,B,hcp,116.7015545668,0.0099895081,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,116.68905125377701,0.0026235775960192697,56.0,1.0,0.011286929734603468,0.011286929734603468,B,hcp,116.702221865,0.009731143000000001,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,116.68905125377701,0.0026235775960192697,60.0,1.0,0.006000874673117889,0.006000874673117889,B,hcp,116.6960536175,0.0090501056,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,116.68905125377701,0.0026235775960192697,52.0,1.0,0.010759210986887844,0.010759210986887844,B,hcp,116.701606075,0.008493768399999999,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,116.68905125377701,0.0026235775960192697,54.0,1.0,0.01028660974961335,0.01028660974961335,B,hcp,116.70105460110001,0.0087040969,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,116.68905125377701,0.0026235775960192697,32.0,1.0,0.05541741254057418,0.05541741254057418,B,hcp,116.7537173067,0.0099233928,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",PBE,116.68905125377701,0.0026235775960192697,6.0,1.0,0.4451027072740775,0.4451027072740775,B,hcp,117.20843738,0.2754437911,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,116.68905125377701,0.0026235775960192697,18.0,1.0,0.23063986923475832,0.23063986923475832,B,hcp,116.958182729,0.0296901746,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,116.68905125377701,0.0026235775960192697,42.0,1.0,0.002492064672524145,0.002492064672524145,B,hcp,116.69195922040001,0.0107845971,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",PBE,116.68905125377701,0.0026235775960192697,22.0,1.0,0.058926045917927716,0.058926045917927716,B,hcp,116.7578114977,0.0377069759,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,116.68905125377701,0.0026235775960192697,8.0,1.0,0.728608968868861,0.728608968868861,B,hcp,117.53925814690001,0.3303867555,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,116.68905125377701,0.0026235775960192697,14.0,1.0,0.3896490755882069,0.3896490755882069,B,hcp,117.1437290633,0.0420555399,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,116.68905125377701,0.0026235775960192697,8.0,1.0,0.728608968868861,0.728608968868861,B,hcp,117.53925814690001,0.3303867555,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",PBE,116.68905125377701,0.0026235775960192697,6.0,1.0,0.32055381049375536,0.32055381049375536,B,hcp,117.063102454,0.11089041050000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,116.68905125377701,0.0026235775960192697,34.0,1.0,0.040871434132466064,0.040871434132466064,B,hcp,116.7367437425,0.0114132283,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,116.68905125377701,0.0026235775960192697,38.0,1.0,0.06713492421204892,0.06713492421204892,B,hcp,116.76739035989999,0.016013470000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,116.68905125377701,0.0026235775960192697,44.0,1.0,0.00920976578994002,0.00920976578994002,B,hcp,116.69979804209999,0.0109737627,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,116.68905125377701,0.0026235775960192697,28.0,1.0,0.01481244481575202,0.01481244481575202,B,hcp,116.7063357551,0.0128740166,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,116.68905125377701,0.0026235775960192697,14.0,1.0,0.3896490755882069,0.3896490755882069,B,hcp,117.1437290633,0.0420555399,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",PBE,116.68905125377701,0.0026235775960192697,22.0,1.0,0.059602657555030365,0.059602657555030365,B,hcp,116.75860102940001,0.037940123400000005,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,116.68905125377701,0.0026235775960192697,10.0,1.0,0.017241571562065672,-0.017241571562065672,B,hcp,116.6689322275,0.0314103944,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,116.68905125377701,0.0026235775960192697,48.0,1.0,0.009038667989555323,0.009038667989555323,B,hcp,116.6995983897,0.0091640196,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,116.68905125377701,0.0026235775960192697,36.0,1.0,0.06053570456182683,0.06053570456182683,B,hcp,116.7596897931,0.0133568859,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,116.68905125377701,0.0026235775960192697,32.0,1.0,0.05541741254057418,0.05541741254057418,B,hcp,116.7537173067,0.0099233928,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",PBE,116.68905125377701,0.0026235775960192697,46.0,1.0,0.052919538002486964,0.052919538002486964,B,hcp,116.7508025606,0.0163853306,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,116.68905125377701,0.0026235775960192697,12.0,1.0,0.3047545740599018,0.3047545740599018,B,hcp,117.0446664749,0.1029551952,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,116.68905125377701,0.0026235775960192697,40.0,1.0,0.06499959662713968,0.06499959662713968,B,hcp,116.7648986664,0.013193033500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,116.68905125377701,0.0026235775960192697,34.0,1.0,0.040871434132466064,0.040871434132466064,B,hcp,116.7367437425,0.0114132283,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,116.68905125377701,0.0026235775960192697,26.0,1.0,0.024993333915759783,0.024993333915759783,B,hcp,116.718215738,0.0218271998,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,116.68905125377701,0.0026235775960192697,40.0,1.0,0.06499959662713968,0.06499959662713968,B,hcp,116.7648986664,0.013193033500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,116.68905125377701,0.0026235775960192697,24.0,1.0,0.0038797043718705793,0.0038797043718705793,B,hcp,116.693578444,0.0364707976,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,116.68905125377701,0.0026235775960192697,50.0,1.0,0.008429237291164406,0.008429237291164406,B,hcp,116.6988872508,0.0097032677,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,116.68905125377701,0.0026235775960192697,12.0,1.0,0.3047545740599018,0.3047545740599018,B,hcp,117.0446664749,0.1029551952,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,116.68905125377701,0.0026235775960192697,36.0,1.0,0.06274256327935435,0.06274256327935435,B,hcp,116.76226495559999,0.012938861000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,116.68905125377701,0.0026235775960192697,30.0,1.0,0.04822126199365425,0.04822126199365425,B,hcp,116.7453201869,0.012656490500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,116.68905125377701,0.0026235775960192697,10.0,1.0,0.017241571562065672,-0.017241571562065672,B,hcp,116.6689322275,0.0314103944,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,116.68905125377701,0.0026235775960192697,16.0,1.0,0.16027617116899745,0.16027617116899745,B,hcp,116.87607599729999,0.0265746704,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,116.68905125377701,0.0026235775960192697,16.0,1.0,0.16027617116899745,0.16027617116899745,B,hcp,116.87607599729999,0.0265746704,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,116.68905125377701,0.0026235775960192697,26.0,1.0,0.024993333915759783,0.024993333915759783,B,hcp,116.718215738,0.0218271998,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,116.68905125377701,0.0026235775960192697,30.0,1.0,0.04822126199365425,0.04822126199365425,B,hcp,116.7453201869,0.012656490500000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,116.68905125377701,0.0026235775960192697,18.0,1.0,0.23063986923475832,0.23063986923475832,B,hcp,116.958182729,0.0296901746,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,116.68905125377701,0.0026235775960192697,44.0,1.0,0.010715069570492158,0.010715069570492158,B,hcp,116.7015545668,0.0099895081,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,116.68905125377701,0.0026235775960192697,56.0,1.0,0.011286929734603468,0.011286929734603468,B,hcp,116.702221865,0.009731143000000001,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,116.68905125377701,0.0026235775960192697,24.0,1.0,0.0038797043718705793,0.0038797043718705793,B,hcp,116.693578444,0.0364707976,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,116.68905125377701,0.0026235775960192697,28.0,1.0,0.01481244481575202,0.01481244481575202,B,hcp,116.7063357551,0.0128740166,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,116.68905125377701,0.0026235775960192697,60.0,1.0,0.006000874673117889,0.006000874673117889,B,hcp,116.6960536175,0.0090501056,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,116.68905125377701,0.0026235775960192697,54.0,1.0,0.01028660974961335,0.01028660974961335,B,hcp,116.70105460110001,0.0087040969,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",PBE,116.68905125377701,0.0026235775960192697,20.0,1.0,0.09063736501977651,0.09063736501977651,B,hcp,116.79481513510001,0.024761705800000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,116.68905125377701,0.0026235775960192697,42.0,1.0,0.003258325080322159,0.003258325080322159,B,hcp,116.6928533624,0.0109501383,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,116.68905125377701,0.0026235775960192697,52.0,1.0,0.010759210986887844,0.010759210986887844,B,hcp,116.701606075,0.008493768399999999,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,116.68905125377701,0.0026235775960192697,42.0,1.0,0.002492064672524145,0.002492064672524145,B,hcp,116.69195922040001,0.0107845971,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,-23.327378750473198,1.60697475398011e-06,38.0,1.0,-0.00016093566962368472,-0.00016093566962368472,E0,hcp,-23.3273412084,2.1010000000000003e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,-23.327378750473198,1.60697475398011e-06,44.0,1.0,-7.955833100418905e-05,-7.955833100418905e-05,E0,hcp,-23.327360191599997,2.289e-06,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,-23.327378750473198,1.60697475398011e-06,48.0,1.0,-5.645329181603976e-05,-5.645329181603976e-05,E0,hcp,-23.3273655814,1.9117000000000003e-06,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",PBE,-23.327378750473198,1.60697475398011e-06,20.0,1.0,-0.0004771572253865113,-0.0004771572253865113,E0,hcp,-23.327267442199997,3.227e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,-23.327378750473198,1.60697475398011e-06,50.0,1.0,-8.739804593555094e-05,-8.739804593555094e-05,E0,hcp,-23.327358362800002,2.0244e-06,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,-23.327378750473198,1.60697475398011e-06,42.0,1.0,-0.00012860284698011887,-0.00012860284698011887,E0,hcp,-23.3273487508,2.285e-06,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,-23.327378750473198,1.60697475398011e-06,44.0,1.0,-8.277986738399438e-05,-8.277986738399438e-05,E0,hcp,-23.327359440100004,2.0862e-06,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,-23.327378750473198,1.60697475398011e-06,56.0,1.0,-5.789323070153332e-05,-5.789323070153332e-05,E0,hcp,-23.3273652455,2.0301000000000003e-06,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,-23.327378750473198,1.60697475398011e-06,60.0,1.0,-4.380677875390826e-05,-4.380677875390826e-05,E0,hcp,-23.3273685315,1.8876e-06,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,-23.327378750473198,1.60697475398011e-06,52.0,1.0,-4.7757929930119e-05,-4.7757929930119e-05,E0,hcp,-23.3273676098,1.7719e-06,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,-23.327378750473198,1.60697475398011e-06,54.0,1.0,-4.1334576414004324e-05,-4.1334576414004324e-05,E0,hcp,-23.327369108200003,1.8157e-06,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,-23.327378750473198,1.60697475398011e-06,32.0,1.0,-8.705338655308489e-05,-8.705338655308489e-05,E0,hcp,-23.3273584432,1.3019e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",PBE,-23.327378750473198,1.60697475398011e-06,6.0,1.0,-0.013103874661171853,-0.013103874661171853,E0,hcp,-23.32432196,3.71e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,-23.327378750473198,1.60697475398011e-06,18.0,1.0,-0.0008699208298304227,0.0008699208298304227,E0,hcp,-23.3275816802,3.8932e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,-23.327378750473198,1.60697475398011e-06,42.0,1.0,-0.00012702187208346247,-0.00012702187208346247,E0,hcp,-23.3273491196,2.2496e-06,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",PBE,-23.327378750473198,1.60697475398011e-06,22.0,1.0,-0.0011201467425615568,-0.0011201467425615568,E0,hcp,-23.3271174496,4.9466e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,-23.327378750473198,1.60697475398011e-06,8.0,1.0,-0.03658437008497075,-0.03658437008497075,E0,hcp,-23.318844575900002,4.27203e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,-23.327378750473198,1.60697475398011e-06,14.0,1.0,-0.003437587573712225,-0.003437587573712225,E0,hcp,-23.3265768514,5.5292e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,-23.327378750473198,1.60697475398011e-06,8.0,1.0,-0.03658437008497075,-0.03658437008497075,E0,hcp,-23.318844575900002,4.27203e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",PBE,-23.327378750473198,1.60697475398011e-06,6.0,1.0,-0.012932279299227162,-0.012932279299227162,E0,hcp,-23.324361988699998,1.4988800000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,-23.327378750473198,1.60697475398011e-06,34.0,1.0,-0.0002761530726903946,-0.0002761530726903946,E0,hcp,-23.3273143312,1.4979e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,-23.327378750473198,1.60697475398011e-06,38.0,1.0,-0.00016093566962368472,-0.00016093566962368472,E0,hcp,-23.3273412084,2.1010000000000003e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,-23.327378750473198,1.60697475398011e-06,44.0,1.0,-7.955833100418905e-05,-7.955833100418905e-05,E0,hcp,-23.327360191599997,2.289e-06,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,-23.327378750473198,1.60697475398011e-06,28.0,1.0,-0.0005587729105347348,-0.0005587729105347348,E0,hcp,-23.327248403400002,1.6894e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,-23.327378750473198,1.60697475398011e-06,14.0,1.0,-0.003437587573712225,-0.003437587573712225,E0,hcp,-23.3265768514,5.5292e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",PBE,-23.327378750473198,1.60697475398011e-06,22.0,1.0,-0.0011202303353067724,-0.0011202303353067724,E0,hcp,-23.327117430100003,4.9776e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,-23.327378750473198,1.60697475398011e-06,10.0,1.0,-0.004670791512645193,0.004670791512645193,E0,hcp,-23.328468323699997,4.0996000000000005e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,-23.327378750473198,1.60697475398011e-06,48.0,1.0,-5.645329181603976e-05,-5.645329181603976e-05,E0,hcp,-23.3273655814,1.9117000000000003e-06,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,-23.327378750473198,1.60697475398011e-06,36.0,1.0,-0.0003427177740432142,-0.0003427177740432142,E0,hcp,-23.3272988034,1.7528e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,-23.327378750473198,1.60697475398011e-06,32.0,1.0,-8.705338655308489e-05,-8.705338655308489e-05,E0,hcp,-23.3273584432,1.3019e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",PBE,-23.327378750473198,1.60697475398011e-06,46.0,1.0,-0.00016867978874569924,-0.00016867978874569924,E0,hcp,-23.3273394019,2.1504e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,-23.327378750473198,1.60697475398011e-06,12.0,1.0,-0.0052726461037789964,0.0052726461037789964,E0,hcp,-23.3286087206,1.34362e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,-23.327378750473198,1.60697475398011e-06,40.0,1.0,-0.0001738805445504325,-0.0001738805445504325,E0,hcp,-23.327338188699997,1.7316e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,-23.327378750473198,1.60697475398011e-06,34.0,1.0,-0.0002761530726903946,-0.0002761530726903946,E0,hcp,-23.3273143312,1.4979e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,-23.327378750473198,1.60697475398011e-06,26.0,1.0,-7.54665724748326e-05,-7.54665724748326e-05,E0,hcp,-23.327361146100007,2.865e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,-23.327378750473198,1.60697475398011e-06,40.0,1.0,-0.0001738805445504325,-0.0001738805445504325,E0,hcp,-23.327338188699997,1.7316e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,-23.327378750473198,1.60697475398011e-06,24.0,1.0,-0.00014798822262699563,-0.00014798822262699563,E0,hcp,-23.3273442287,4.7832e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,-23.327378750473198,1.60697475398011e-06,50.0,1.0,-8.739804593555094e-05,-8.739804593555094e-05,E0,hcp,-23.327358362800002,2.0244e-06,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,-23.327378750473198,1.60697475398011e-06,12.0,1.0,-0.0052726461037789964,0.0052726461037789964,E0,hcp,-23.3286087206,1.34362e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,-23.327378750473198,1.60697475398011e-06,36.0,1.0,-0.0003422247910977786,-0.0003422247910977786,E0,hcp,-23.3272989184,1.6982e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,-23.327378750473198,1.60697475398011e-06,30.0,1.0,-0.00029020351543039465,-0.00029020351543039465,E0,hcp,-23.327311053600006,1.6605e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,-23.327378750473198,1.60697475398011e-06,10.0,1.0,-0.004670791512645193,0.004670791512645193,E0,hcp,-23.328468323699997,4.0996000000000005e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,-23.327378750473198,1.60697475398011e-06,16.0,1.0,-0.002419416168597815,-0.002419416168597815,E0,hcp,-23.3268143641,3.4904e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,-23.327378750473198,1.60697475398011e-06,16.0,1.0,-0.002419416168597815,-0.002419416168597815,E0,hcp,-23.3268143641,3.4904e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,-23.327378750473198,1.60697475398011e-06,26.0,1.0,-7.54665724748326e-05,-7.54665724748326e-05,E0,hcp,-23.327361146100007,2.865e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,-23.327378750473198,1.60697475398011e-06,30.0,1.0,-0.00029020351543039465,-0.00029020351543039465,E0,hcp,-23.327311053600006,1.6605e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,-23.327378750473198,1.60697475398011e-06,18.0,1.0,-0.0008699208298304227,0.0008699208298304227,E0,hcp,-23.3275816802,3.8932e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,-23.327378750473198,1.60697475398011e-06,44.0,1.0,-8.277986738399438e-05,-8.277986738399438e-05,E0,hcp,-23.327359440100004,2.0862e-06,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,-23.327378750473198,1.60697475398011e-06,56.0,1.0,-5.789323070153332e-05,-5.789323070153332e-05,E0,hcp,-23.3273652455,2.0301000000000003e-06,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,-23.327378750473198,1.60697475398011e-06,24.0,1.0,-0.00014798822262699563,-0.00014798822262699563,E0,hcp,-23.3273442287,4.7832e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,-23.327378750473198,1.60697475398011e-06,28.0,1.0,-0.0005587729105347348,-0.0005587729105347348,E0,hcp,-23.327248403400002,1.6894e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,-23.327378750473198,1.60697475398011e-06,60.0,1.0,-4.380677875390826e-05,-4.380677875390826e-05,E0,hcp,-23.3273685315,1.8876e-06,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,-23.327378750473198,1.60697475398011e-06,54.0,1.0,-4.1334576414004324e-05,-4.1334576414004324e-05,E0,hcp,-23.327369108200003,1.8157e-06,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",PBE,-23.327378750473198,1.60697475398011e-06,20.0,1.0,-0.0004771122138884024,-0.0004771122138884024,E0,hcp,-23.3272674527,3.2576e-06,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,-23.327378750473198,1.60697475398011e-06,42.0,1.0,-0.00012860284698011887,-0.00012860284698011887,E0,hcp,-23.3273487508,2.285e-06,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,-23.327378750473198,1.60697475398011e-06,52.0,1.0,-4.7757929930119e-05,-4.7757929930119e-05,E0,hcp,-23.3273676098,1.7719e-06,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,-23.327378750473198,1.60697475398011e-06,42.0,1.0,-0.00012702187208346247,-0.00012702187208346247,E0,hcp,-23.3273491196,2.2496e-06,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,3.68018218997675,0.00232690795874904,38.0,1.0,1.6134409074901015,1.6134409074901015,dB,hcp,3.7395597549,0.0087871535,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,3.68018218997675,0.00232690795874904,44.0,1.0,0.07418847171984662,0.07418847171984662,dB,hcp,3.6829124609,0.0103366618,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,3.68018218997675,0.00232690795874904,48.0,1.0,0.132681170963459,0.132681170963459,dB,hcp,3.6850650988,0.008632590800000001,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",PBE,3.68018218997675,0.00232690795874904,20.0,1.0,1.754374432849964,1.754374432849964,dB,hcp,3.7447463654,0.0135012163,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,3.68018218997675,0.00232690795874904,50.0,1.0,0.2637003420559232,0.2637003420559232,dB,hcp,3.689886843,0.0091414305,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,3.68018218997675,0.00232690795874904,42.0,1.0,0.05599170956432152,0.05599170956432152,dB,hcp,3.6822427869,0.0103199475,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,3.68018218997675,0.00232690795874904,44.0,1.0,0.07583222186256078,0.07583222186256078,dB,hcp,3.6829729539,0.0094235681,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,3.68018218997675,0.00232690795874904,56.0,1.0,0.30769826434384184,0.30769826434384184,dB,hcp,3.6915060467,0.0091674179,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,3.68018218997675,0.00232690795874904,60.0,1.0,0.19558284486169505,0.19558284486169505,dB,hcp,3.687379995,0.0085238096,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,3.68018218997675,0.00232690795874904,52.0,1.0,0.10837950724594766,0.10837950724594766,dB,hcp,3.6841707533,0.008000490899999999,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,3.68018218997675,0.00232690795874904,54.0,1.0,0.28342907456208033,0.28342907456208033,dB,hcp,3.6906128963,0.0081972955,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,3.68018218997675,0.00232690795874904,32.0,1.0,1.551594088976625,1.551594088976625,dB,hcp,3.7372836793,0.0054445936,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",PBE,3.68018218997675,0.00232690795874904,6.0,1.0,8.238230032442093,8.238230032442093,dB,hcp,3.9833640644,0.15593206410000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,3.68018218997675,0.00232690795874904,18.0,1.0,3.1177138494867496,3.1177138494867496,dB,hcp,3.7949197398,0.0162660911,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,3.68018218997675,0.00232690795874904,42.0,1.0,0.051932671389344376,0.051932671389344376,dB,hcp,3.6820934069,0.0101568441,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",PBE,3.68018218997675,0.00232690795874904,22.0,1.0,1.4622727611099586,1.4622727611099586,dB,hcp,3.7339964917,0.0206862713,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,3.68018218997675,0.00232690795874904,8.0,1.0,17.830415293309045,17.830415293309045,dB,hcp,4.336373958,0.1785102845,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,3.68018218997675,0.00232690795874904,14.0,1.0,5.17394684811658,5.17394684811658,dB,hcp,3.8705928604,0.0231004838,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,3.68018218997675,0.00232690795874904,8.0,1.0,17.830415293309045,17.830415293309045,dB,hcp,4.336373958,0.1785102845,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",PBE,3.68018218997675,0.00232690795874904,6.0,1.0,0.5552344467864273,0.5552344467864273,dB,hcp,3.7006158292,0.0628728196,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,3.68018218997675,0.00232690795874904,34.0,1.0,1.4167203668680137,1.4167203668680137,dB,hcp,3.7323200806,0.0062658336,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,3.68018218997675,0.00232690795874904,38.0,1.0,1.6134409074901015,1.6134409074901015,dB,hcp,3.7395597549,0.0087871535,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,3.68018218997675,0.00232690795874904,44.0,1.0,0.07418847171984662,0.07418847171984662,dB,hcp,3.6829124609,0.0103366618,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,3.68018218997675,0.00232690795874904,28.0,1.0,1.3594883905344397,1.3594883905344397,dB,hcp,3.7302138396,0.0070678706999999985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,3.68018218997675,0.00232690795874904,14.0,1.0,5.17394684811658,5.17394684811658,dB,hcp,3.8705928604,0.0231004838,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",PBE,3.68018218997675,0.00232690795874904,22.0,1.0,1.4831297421064522,1.4831297421064522,dB,hcp,3.7347640666,0.0208133491,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,3.68018218997675,0.00232690795874904,10.0,1.0,1.7581580975250268,-1.7581580975250268,dB,hcp,3.6154787688,0.0171075985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,3.68018218997675,0.00232690795874904,48.0,1.0,0.132681170963459,0.132681170963459,dB,hcp,3.6850650988,0.008632590800000001,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,3.68018218997675,0.00232690795874904,36.0,1.0,1.4337097676021056,1.4337097676021056,dB,hcp,3.7329453215,0.0073305772,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,3.68018218997675,0.00232690795874904,32.0,1.0,1.551594088976625,1.551594088976625,dB,hcp,3.7372836793,0.0054445936,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",PBE,3.68018218997675,0.00232690795874904,46.0,1.0,1.303216037887315,1.303216037887315,dB,hcp,3.7281429145,0.0089923923,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,3.68018218997675,0.00232690795874904,12.0,1.0,7.123766916683707,7.123766916683707,dB,hcp,3.9423497913,0.056163706,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,3.68018218997675,0.00232690795874904,40.0,1.0,1.5511071429757248,1.5511071429757248,dB,hcp,3.7372657588,0.0072418701,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,3.68018218997675,0.00232690795874904,34.0,1.0,1.4167203668680137,1.4167203668680137,dB,hcp,3.7323200806,0.0062658336,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,3.68018218997675,0.00232690795874904,26.0,1.0,1.1516611443499611,1.1516611443499611,dB,hcp,3.7225654183,0.011983185300000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,3.68018218997675,0.00232690795874904,40.0,1.0,1.5511071429757248,1.5511071429757248,dB,hcp,3.7372657588,0.0072418701,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,3.68018218997675,0.00232690795874904,24.0,1.0,0.6460605615669259,0.6460605615669259,dB,hcp,3.7039583957,0.020002322000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,3.68018218997675,0.00232690795874904,50.0,1.0,0.2637003420559232,0.2637003420559232,dB,hcp,3.689886843,0.0091414305,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,3.68018218997675,0.00232690795874904,12.0,1.0,7.123766916683707,7.123766916683707,dB,hcp,3.9423497913,0.056163706,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,3.68018218997675,0.00232690795874904,36.0,1.0,1.4603444462511659,1.4603444462511659,dB,hcp,3.7339255262,0.007101208400000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,3.68018218997675,0.00232690795874904,30.0,1.0,1.3467682621322334,1.3467682621322334,dB,hcp,3.7297457157,0.0069439581000000005,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,3.68018218997675,0.00232690795874904,10.0,1.0,1.7581580975250268,-1.7581580975250268,dB,hcp,3.6154787688,0.0171075985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,3.68018218997675,0.00232690795874904,16.0,1.0,2.7892654364456506,2.7892654364456506,dB,hcp,3.7828322398000003,0.0145971253,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,3.68018218997675,0.00232690795874904,16.0,1.0,2.7892654364456506,2.7892654364456506,dB,hcp,3.7828322398000003,0.0145971253,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,3.68018218997675,0.00232690795874904,26.0,1.0,1.1516611443499611,1.1516611443499611,dB,hcp,3.7225654183,0.011983185300000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,3.68018218997675,0.00232690795874904,30.0,1.0,1.3467682621322334,1.3467682621322334,dB,hcp,3.7297457157,0.0069439581000000005,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,3.68018218997675,0.00232690795874904,18.0,1.0,3.1177138494867496,3.1177138494867496,dB,hcp,3.7949197398,0.0162660911,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,3.68018218997675,0.00232690795874904,44.0,1.0,0.07583222186256078,0.07583222186256078,dB,hcp,3.6829729539,0.0094235681,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,3.68018218997675,0.00232690795874904,56.0,1.0,0.30769826434384184,0.30769826434384184,dB,hcp,3.6915060467,0.0091674179,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,3.68018218997675,0.00232690795874904,24.0,1.0,0.6460605615669259,0.6460605615669259,dB,hcp,3.7039583957,0.020002322000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,3.68018218997675,0.00232690795874904,28.0,1.0,1.3594883905344397,1.3594883905344397,dB,hcp,3.7302138396,0.0070678706999999985,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,3.68018218997675,0.00232690795874904,60.0,1.0,0.19558284486169505,0.19558284486169505,dB,hcp,3.687379995,0.0085238096,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,3.68018218997675,0.00232690795874904,54.0,1.0,0.28342907456208033,0.28342907456208033,dB,hcp,3.6906128963,0.0081972955,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",PBE,3.68018218997675,0.00232690795874904,20.0,1.0,1.7810117472380878,1.7810117472380878,dB,hcp,3.7457266671,0.0136284456,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,3.68018218997675,0.00232690795874904,42.0,1.0,0.05599170956432152,0.05599170956432152,dB,hcp,3.6822427869,0.0103199475,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,3.68018218997675,0.00232690795874904,52.0,1.0,0.10837950724594766,0.10837950724594766,dB,hcp,3.6841707533,0.008000490899999999,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,3.68018218997675,0.00232690795874904,42.0,1.0,0.051932671389344376,0.051932671389344376,dB,hcp,3.6820934069,0.0101568441,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,50.5549726020481,0.00013605396766256398,38.0,1.0,0.006775937708174196,0.006775937708174196,v0,hcp,50.5583981755,0.0001187833,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,50.5549726020481,0.00013605396766256398,44.0,1.0,0.0019735691674662107,0.0019735691674662107,v0,hcp,50.5559703394,0.0001682882,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,50.5549726020481,0.00013605396766256398,48.0,1.0,0.0016972946630824885,0.0016972946630824885,v0,hcp,50.5558306689,0.00014054549999999998,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255361]",PBE,50.5549726020481,0.00013605396766256398,20.0,1.0,0.013196078265954961,0.013196078265954961,v0,hcp,50.5616438758,0.0001828084,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,50.5549726020481,0.00013605396766256398,50.0,1.0,0.0014352814659946596,0.0014352814659946596,v0,hcp,50.5556982082,0.0001488332,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,50.5549726020481,0.00013605396766256398,42.0,1.0,0.002094689992669081,0.002094689992669081,v0,hcp,50.556031571999995,0.0001680102,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +6,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,50.5549726020481,0.00013605396766256398,44.0,1.0,0.001926553812143856,0.001926553812143856,v0,hcp,50.555946570799996,0.000153444,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,50.5549726020481,0.00013605396766256398,56.0,1.0,0.0012346655922600275,0.0012346655922600275,v0,hcp,50.5555967869,0.0001492519,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,50.5549726020481,0.00013605396766256398,60.0,1.0,0.0013349158691328506,0.0013349158691328506,v0,hcp,50.555647468400004,0.00013876750000000002,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,50.5549726020481,0.00013605396766256398,52.0,1.0,0.0017543927060767802,0.0017543927060767802,v0,hcp,50.55585953479999,0.0001302533,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,50.5549726020481,0.00013605396766256398,54.0,1.0,0.0013956582618486419,0.0013956582618486419,v0,hcp,50.5556781767,0.0001334629,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +11,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,50.5549726020481,0.00013605396766256398,32.0,1.0,0.006539274935254696,0.006539274935254696,v0,hcp,50.558278530699994,7.35982e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +12,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320544, -23.313593, -23.303238, -23.289908, -23.27323, -23.25361]",PBE,50.5549726020481,0.00013605396766256398,6.0,1.0,0.06738588886213438,0.06738588886213438,v0,hcp,50.5890395197,0.0021413098,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,50.5549726020481,0.00013605396766256398,18.0,1.0,0.004948141840739592,0.004948141840739592,v0,hcp,50.5574741338,0.0002197697,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,50.5549726020481,0.00013605396766256398,42.0,1.0,0.0020617029309825973,0.0020617029309825973,v0,hcp,50.5560148954,0.0001653597,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.305401, -23.29165, -23.274829, -23.255079]",PBE,50.5549726020481,0.00013605396766256398,22.0,1.0,0.0065315916159038225,0.0065315916159038225,v0,hcp,50.5582746464,0.00027962230000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,50.5549726020481,0.00013605396766256398,8.0,1.0,0.033237618543228355,-0.033237618543228355,v0,hcp,50.5381693331,0.0023882476000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,50.5549726020481,0.00013605396766256398,14.0,1.0,0.010658618479161837,0.010658618479161837,v0,hcp,50.5603610637,0.00031261470000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.29414, -23.306433, -23.314442, -23.318378, -23.318406, -23.314694, -23.307296, -23.296521, -23.282819, -23.266056, -23.246374]",PBE,50.5549726020481,0.00013605396766256398,8.0,1.0,0.033237618543228355,-0.033237618543228355,v0,hcp,50.5381693331,0.0023882476000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.298298, -23.311017, -23.319418, -23.323698, -23.324048, -23.320647, -23.31374, -23.3035, -23.289908, -23.27323, -23.25361]",PBE,50.5549726020481,0.00013605396766256398,6.0,1.0,0.07822220528765399,0.07822220528765399,v0,hcp,50.594517816499994,0.0008656015000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,50.5549726020481,0.00013605396766256398,34.0,1.0,0.00759032545047187,0.00759032545047187,v0,hcp,50.558809888999996,8.472340000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302365, -23.314732, -23.322817, -23.326816, -23.326919, -23.323306, -23.316157, -23.305630999999998, -23.291882, -23.275059, -23.255307]",PBE,50.5549726020481,0.00013605396766256398,38.0,1.0,0.006775937708174196,0.006775937708174196,v0,hcp,50.5583981755,0.0001187833,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776717, -23.29610534, -23.31009208, -23.3198367, -23.3255328, -23.32736481, -23.32551074, -23.32014312, -23.31141994, -23.29949394, -23.284510009999998]",PBE,50.5549726020481,0.00013605396766256398,44.0,1.0,0.0019735691674662107,0.0019735691674662107,v0,hcp,50.5559703394,0.0001682882,"[48.0331086033, 48.5387202728, 49.0443319423, 49.5499436118, 50.0555552814, 50.5611669509, 51.0667786204, 51.5723902899, 52.0780019594, 52.5836136289, 53.0892252984]" +23,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,50.5549726020481,0.00013605396766256398,28.0,1.0,0.007197772967940337,0.007197772967940337,v0,hcp,50.5586114342,9.55586e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +24,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.30143, -23.313867, -23.322008, -23.326039, -23.326165, -23.322561, -23.31541, -23.304865, -23.291125, -23.274319, -23.254591]",PBE,50.5549726020481,0.00013605396766256398,14.0,1.0,0.010658618479161837,0.010658618479161837,v0,hcp,50.5603610637,0.00031261470000000003,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +25,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302154, -23.314506, -23.322589, -23.326593, -23.326701, -23.323089, -23.31593, -23.3054, -23.29165, -23.274829, -23.255079]",PBE,50.5549726020481,0.00013605396766256398,22.0,1.0,0.0065059308364792574,0.0065059308364792574,v0,hcp,50.55826167359999,0.000281346,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,50.5549726020481,0.00013605396766256398,10.0,1.0,0.0049921885389340006,-0.0049921885389340006,v0,hcp,50.5524488025,0.00023054380000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769507, -23.29612791, -23.310111, -23.31984823, -23.32554072, -23.32737001, -23.32551357, -23.32014079, -23.31141431, -23.29948628, -23.28449816]",PBE,50.5549726020481,0.00013605396766256398,48.0,1.0,0.0016972946630824885,0.0016972946630824885,v0,hcp,50.5558306689,0.00014054549999999998,"[48.0334832341, 48.5390988471, 49.04471446, 49.550330073, 50.055945686, 50.561561299, 51.067176912, 51.572792525, 52.078408138, 52.584023751, 53.089639364]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302316, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,50.5549726020481,0.00013605396766256398,36.0,1.0,0.0073999807721105175,0.0073999807721105175,v0,hcp,50.5587136603,9.91066e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302387, -23.314756, -23.322839, -23.326833, -23.326931, -23.323323, -23.316174, -23.305648, -23.291899, -23.275077, -23.255323]",PBE,50.5549726020481,0.00013605396766256398,32.0,1.0,0.006539274935254696,0.006539274935254696,v0,hcp,50.558278530699994,7.35982e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +30,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302362, -23.314729, -23.322812, -23.326812, -23.326919, -23.323308, -23.316161, -23.305636, -23.291888, -23.275064, -23.255311]",PBE,50.5549726020481,0.00013605396766256398,46.0,1.0,0.0073361601460888454,0.0073361601460888454,v0,hcp,50.5586813958,0.0001215755,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +31,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,50.5549726020481,0.00013605396766256398,12.0,1.0,0.00768359025464865,-0.00768359025464865,v0,hcp,50.55108816510001,0.0007564267000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,50.5549726020481,0.00013605396766256398,40.0,1.0,0.007444200952341827,0.007444200952341827,v0,hcp,50.5587360158,9.79123e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302334, -23.314703, -23.322788, -23.326788, -23.32689, -23.323285, -23.31614, -23.305618, -23.291874, -23.275055, -23.255305]",PBE,50.5549726020481,0.00013605396766256398,34.0,1.0,0.00759032545047187,0.00759032545047187,v0,hcp,50.558809888999996,8.472340000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +34,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,50.5549726020481,0.00013605396766256398,26.0,1.0,0.007850713683762937,0.007850713683762937,v0,hcp,50.558941528199995,0.0001620135,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302353, -23.314724, -23.322811, -23.326811, -23.326916, -23.323307, -23.31616, -23.305636, -23.291889, -23.275068, -23.255316]",PBE,50.5549726020481,0.00013605396766256398,40.0,1.0,0.007444200952341827,0.007444200952341827,v0,hcp,50.5587360158,9.79123e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,50.5549726020481,0.00013605396766256398,24.0,1.0,0.006071975502910907,0.006071975502910907,v0,hcp,50.5580422876,0.000270321,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769842, -23.29612855, -23.31011052, -23.31984751, -23.325536, -23.32736287, -23.32550325, -23.32012874, -23.31140085, -23.29947113, -23.28448265]",PBE,50.5549726020481,0.00013605396766256398,50.0,1.0,0.0014352814659946596,0.0014352814659946596,v0,hcp,50.5556982082,0.0001488332,"[48.0336914155, 48.5393092199, 49.0449270243, 49.5505448286, 50.056162633, 50.5617804374, 51.0673982418, 51.5730160461, 52.0786338505, 52.5842516549, 53.0898694593]" +38,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.303698, -23.316098, -23.324187, -23.328126, -23.328136, -23.324449, -23.317278, -23.306736, -23.292975, -23.276136, -23.256369]",PBE,50.5549726020481,0.00013605396766256398,12.0,1.0,0.00768359025464865,-0.00768359025464865,v0,hcp,50.55108816510001,0.0007564267000000001,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +39,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302315, -23.314687, -23.322773, -23.326772, -23.326874, -23.323267, -23.316122, -23.305597, -23.291848, -23.275025, -23.255273]",PBE,50.5549726020481,0.00013605396766256398,36.0,1.0,0.0074050417975060415,0.0074050417975060415,v0,hcp,50.5587162189,9.601270000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +40,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,50.5549726020481,0.00013605396766256398,30.0,1.0,0.0064675587456695105,0.0064675587456695105,v0,hcp,50.5582422746,9.385760000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +41,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.303717, -23.316004, -23.324013, -23.32796, -23.328031, -23.324379, -23.317179, -23.306596, -23.292791, -23.275898, -23.256059]",PBE,50.5549726020481,0.00013605396766256398,10.0,1.0,0.0049921885389340006,-0.0049921885389340006,v0,hcp,50.5524488025,0.00023054380000000002,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +42,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,50.5549726020481,0.00013605396766256398,16.0,1.0,0.009148112270393713,0.009148112270393713,v0,hcp,50.559597427700005,0.0001974305,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +43,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.301764, -23.314166, -23.322278, -23.326293, -23.326387, -23.322777, -23.315643, -23.305128, -23.291388, -23.274571, -23.254822]",PBE,50.5549726020481,0.00013605396766256398,16.0,1.0,0.009148112270393713,0.009148112270393713,v0,hcp,50.559597427700005,0.0001974305,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +44,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302385, -23.314752, -23.32283, -23.32683, -23.326942, -23.323338, -23.316191, -23.305667, -23.291923, -23.275104, -23.255357]",PBE,50.5549726020481,0.00013605396766256398,26.0,1.0,0.007850713683762937,0.007850713683762937,v0,hcp,50.558941528199995,0.0001620135,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +45,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302345, -23.314711, -23.322793, -23.326783, -23.326885, -23.323277, -23.316126, -23.305599, -23.291849, -23.275024, -23.255269]",PBE,50.5549726020481,0.00013605396766256398,30.0,1.0,0.0064675587456695105,0.0064675587456695105,v0,hcp,50.5582422746,9.385760000000001e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +46,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302577, -23.314959, -23.323055, -23.327062, -23.327161, -23.323535, -23.316363, -23.305824, -23.292065, -23.275233, -23.255472]",PBE,50.5549726020481,0.00013605396766256398,18.0,1.0,0.004948141840739592,0.004948141840739592,v0,hcp,50.5574741338,0.0002197697,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +47,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27783264, -23.29623265, -23.31018673, -23.31989771, -23.32556169, -23.32736332, -23.32548014, -23.32008183, -23.31133126, -23.29937719, -23.28436504]",PBE,50.5549726020481,0.00013605396766256398,44.0,1.0,0.001926553812143856,0.001926553812143856,v0,hcp,50.555946570799996,0.000153444,"[48.0370581804, 48.5427114244, 49.0483646684, 49.5540179124, 50.0596711564, 50.5653244004, 51.0709776444, 51.5766308884, 52.0822841324, 52.5879373764, 53.0935906204]" +48,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769377, -23.29612725, -23.31011103, -23.31985105, -23.3255415, -23.32736931, -23.32551207, -23.32013855, -23.311412, -23.29948456, -23.28449702]",PBE,50.5549726020481,0.00013605396766256398,56.0,1.0,0.0012346655922600275,0.0012346655922600275,v0,hcp,50.5555967869,0.0001492519,"[48.0333814344, 48.5389959758, 49.0446105172, 49.5502250586, 50.0558396, 50.5614541414, 51.0670686829, 51.5726832243, 52.0782977657, 52.5839123071, 53.0895268485]" +49,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302409, -23.314751, -23.322819, -23.326821, -23.326929, -23.323313, -23.316156, -23.305627, -23.291875, -23.275048, -23.255291]",PBE,50.5549726020481,0.00013605396766256398,24.0,1.0,0.006071975502910907,0.006071975502910907,v0,hcp,50.5580422876,0.000270321,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +50,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.302278, -23.314649, -23.322729, -23.326716, -23.326823, -23.32322, -23.316073, -23.305553, -23.291811, -23.274993, -23.255246]",PBE,50.5549726020481,0.00013605396766256398,28.0,1.0,0.007197772967940337,0.007197772967940337,v0,hcp,50.5586114342,9.55586e-05,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +51,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.2776696, -23.29610632, -23.31009743, -23.31984249, -23.32553879, -23.32737175, -23.32552047, -23.32015492, -23.31143473, -23.29951202, -23.28452886]",PBE,50.5549726020481,0.00013605396766256398,60.0,1.0,0.0013349158691328506,0.0013349158691328506,v0,hcp,50.555647468400004,0.00013876750000000002,"[48.032606811, 48.5382131985, 49.043819586, 49.5494259735, 50.055032361, 50.5606387485, 51.066245136, 51.5718515234, 52.0774579109, 52.583064298400004, 53.0886706859]" +52,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769164, -23.29612538, -23.31011275, -23.31985232, -23.32554357, -23.32737275, -23.32551618, -23.32014569, -23.31142037, -23.29949383, -23.28450628]",PBE,50.5549726020481,0.00013605396766256398,54.0,1.0,0.0013956582618486419,0.0013956582618486419,v0,hcp,50.5556781767,0.0001334629,"[48.0332856495, 48.5388991827, 49.0445127158, 49.550126249, 50.0557397821, 50.5613533153, 51.0669668484, 51.5725803816, 52.0781939147, 52.5838074479, 53.089420981]" +53,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.302195, -23.314588, -23.322702, -23.326731, -23.326863, -23.323264, -23.316133, -23.305630999999998, -23.291903, -23.275099, -23.255362]",PBE,50.5549726020481,0.00013605396766256398,20.0,1.0,0.013175346774153303,0.013175346774153303,v0,hcp,50.561633395,0.0001845392,"[48.7498021799, 49.2629579923, 49.7761138047, 50.2892696171, 50.8024254296, 51.315581242, 51.8287370544, 52.3418928668, 52.8550486792, 53.3682044917, 53.8813603041]" +54,TetraBloechl,PseudoPot_ISPIN_2,VASP,Ti,"[-23.27772234, -23.29614443, -23.31011646, -23.31984675, -23.32553153, -23.32735448, -23.32549001, -23.32010927, -23.31137688, -23.29944147, -23.28444874]",PBE,50.5549726020481,0.00013605396766256398,42.0,1.0,0.002094689992669081,0.002094689992669081,v0,hcp,50.556031571999995,0.0001680102,"[48.0346134344, 48.5402409442, 49.045868454, 49.5514959639, 50.0571234737, 50.5627509835, 51.0683784934, 51.5740060032, 52.079633513, 52.5852610229, 53.0908885327]" +55,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27769284, -23.29612582, -23.31011095, -23.31984991, -23.3255406, -23.3273718, -23.32551599, -23.32014441, -23.31141907, -23.29949017, -23.28450238]",PBE,50.5549726020481,0.00013605396766256398,52.0,1.0,0.0017543927060767802,0.0017543927060767802,v0,hcp,50.55585953479999,0.0001302533,"[48.0334079258, 48.5390227461, 49.0446375663, 49.5502523866, 50.0558672069, 50.5614820272, 51.0670968474, 51.5727116677, 52.078326488, 52.5839413082, 53.0895561285]" +56,TetraBloechl,PseudoPot_ISPIN_1,VASP,Ti,"[-23.27767044, -23.29610356, -23.31008592, -23.31982706, -23.32552315, -23.32735409, -23.32549987, -23.32012933, -23.31140569, -23.29948026, -23.2844954]",PBE,50.5549726020481,0.00013605396766256398,42.0,1.0,0.0020617029309825973,0.0020617029309825973,v0,hcp,50.5560148954,0.0001653597,"[48.0333101532, 48.5389239442, 49.0445377353, 49.5501515264, 50.0557653175, 50.5613791086, 51.0669928997, 51.5726066908, 52.0782204818, 52.5838342729, 53.089448064]" +0,TetraBloechl,PseudoPot_52x52x52_POS,VASP,V,"[-8.91992916, -8.92769988, -8.93359222, -8.93769037, -8.94008362, -8.94085608, -8.94007958, -8.937828230000001, -8.93417635, -8.92919019, -8.92293539]",PBE,187.397035441399,0.00391400597156019,52.0,1.0,0.003463529658151572,0.003463529658151572,B,FindHistory,187.4035259933,0.028801920600000006,"[12.5495415589, 12.6816419964, 12.8137424338, 12.9458428713, 13.0779433088, 13.2100437462, 13.3421441837, 13.4742446211, 13.6063450586, 13.7384454961, 13.8705459335]" +1,TetraBloechl,PseudoPot_54x54x54_POS,VASP,V,"[-8.91992613, -8.92769819, -8.9335863, -8.93768754, -8.9400817, -8.94085482, -8.94007727, -8.93782709, -8.93417835, -8.92919302, -8.92293882]",PBE,187.397035441399,0.00391400597156019,54.0,1.0,0.011847440567397624,-0.011847440567397624,B,FindHistory,187.374833689,0.0287340528,"[12.5495441715, 12.6816446365, 12.8137451014, 12.9458455664, 13.0779460313, 13.2100464963, 13.3421469613, 13.4742474262, 13.6063478912, 13.7384483562, 13.8705488211]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,V,"[-9.05019106, -9.05756708, -9.06304541, -9.06672283, -9.06868524, -9.06901959, -9.06780414, -9.06511236, -9.06101745, -9.05559031, -9.04889205]",PBE,187.397035441399,0.00391400597156019,4.0,1.0,2.5372639361671627,2.5372639361671627,B,FindHistory,192.1517928391,0.0171392179,"[12.4099572165, 12.5405883451, 12.6712194737, 12.8018506023, 12.9324817309, 13.0631128595, 13.1937439881, 13.3243751167, 13.4550062453, 13.585637373800001, 13.7162685024]" +3,TetraBloechl,PseudoPot_68x68x68_POS,VASP,V,"[-8.91991772, -8.9276943, -8.93358501, -8.93768759, -8.94008279, -8.94085569, -8.94007833, -8.93783023, -8.93418145, -8.92919765, -8.922943740000001]",PBE,187.397035441399,0.00391400597156019,68.0,1.0,0.0002978736550935054,-0.0002978736550935054,B,FindHistory,187.396477235,0.0242928045,"[12.5494149543, 12.6815140591, 12.8136131638, 12.9457122686, 13.0778113734, 13.2099104782, 13.342009583, 13.4741086877, 13.6062077925, 13.7383068973, 13.8704060021]" +4,TetraBloechl,PseudoPot_12x12x12_POS,VASP,V,"[-8.92281684, -8.93048959, -8.9364417, -8.94041518, -8.94268026, -8.94332947, -8.94244472, -8.94009599, -8.93635592, -8.93129029, -8.92496035]",PBE,187.397035441399,0.00391400597156019,12.0,1.0,0.46014136929644883,0.46014136929644883,B,FindHistory,188.2593267263,0.28511141100000004,"[12.5449377183, 12.6769896943, 12.809041670300001, 12.9410936462, 13.0731456222, 13.2051975982, 13.3372495742, 13.4693015502, 13.6013535262, 13.7334055021, 13.8654574781]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,V,"[-8.91992741, -8.92769978, -8.93359022, -8.9376908, -8.94008457, -8.94085287, -8.94007457, -8.93782442, -8.93417458, -8.929188270000001, -8.92293363]",PBE,187.397035441399,0.00391400597156019,50.0,1.0,0.0021002958183076684,-0.0021002958183076684,B,FindHistory,187.3930995493,0.0256182259,"[12.5495918495, 12.6816928164, 12.8137937832, 12.9458947501, 13.0779957169, 13.2100966837, 13.3421976506, 13.4742986174, 13.6063995842, 13.7385005511, 13.8706015179]" +6,TetraBloechl,PseudoPot_8x8x8_POS,VASP,V,"[-8.936719740000001, -8.94432221, -8.95006227, -8.95402731, -8.95630062, -8.95696261, -8.95609379, -8.95305497, -8.94931553, -8.94425167, -8.93792444]",PBE,187.397035441399,0.00391400597156019,8.0,1.0,1.6779364153198049,1.6779364153198049,B,FindHistory,190.5414385403,1.4933566334,"[12.5073807483, 12.6390373878, 12.7706940272, 12.9023506667, 13.0340073061, 13.1656639456, 13.2973205851, 13.4289772245, 13.560633864, 13.6922905034, 13.8239471429]" +7,TetraBloechl,PseudoPot_40x40x40_POS,VASP,V,"[-8.91993629, -8.92770375, -8.93359188, -8.93768963, -8.94008096, -8.94084946, -8.94007197, -8.93781998, -8.93416727, -8.92917995, -8.92292519]",PBE,187.397035441399,0.00391400597156019,40.0,1.0,0.014903756525946223,-0.014903756525946223,B,FindHistory,187.36910624349997,0.028671823000000006,"[12.5497740663, 12.6818769512, 12.8139798361, 12.946082721, 13.0781856059, 13.2102884908, 13.3423913757, 13.4744942606, 13.6065971456, 13.7387000305, 13.8708029154]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,V,"[-8.91997936, -8.92773506, -8.93360997, -8.93769599, -8.94008201, -8.94083719, -8.94004537, -8.93778281, -8.93411957, -8.92911974, -8.92284901]",PBE,187.397035441399,0.00391400597156019,24.0,1.0,0.02699631730131476,0.02699631730131476,B,FindHistory,187.44762573970002,0.0321509065,"[12.5503009697, 12.6824094009, 12.8145178322, 12.9466262635, 13.0787346947, 13.210843126, 13.3429515572, 13.4750599885, 13.6071684198, 13.739276851, 13.8713852823]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,V,"[-8.91994247, -8.92769997, -8.93357909, -8.93766593, -8.94004704, -8.94080717, -8.94002058, -8.93776113, -8.93410239, -8.92911149, -8.92285034]",PBE,187.397035441399,0.00391400597156019,28.0,1.0,0.04272246325050601,-0.04272246325050601,B,FindHistory,187.3169748118,0.025075829,"[12.5500256314, 12.6821311643, 12.8142366973, 12.9463422303, 13.0784477632, 13.2105532962, 13.3426588291, 13.4747643621, 13.606869895100001, 13.738975428, 13.871080961]" +10,TetraBloechl,PseudoPot_22x22x22_POS,VASP,V,"[-8.91993278, -8.92769239, -8.93357798, -8.93766999, -8.94005356, -8.94080981, -8.94002075, -8.93776081, -8.93409856, -8.9291037, -8.92284384]",PBE,187.397035441399,0.00391400597156019,22.0,1.0,0.015833304476301827,0.015833304476301827,B,FindHistory,187.4267065846,0.0396255187,"[12.5507689641, 12.6828823216, 12.8149956791, 12.9471090366, 13.0792223941, 13.2113357517, 13.3434491092, 13.4755624667, 13.6076758242, 13.7397891817, 13.8719025392]" +11,TetraBloechl,PseudoPot_26x26x26_POS,VASP,V,"[-8.91993697, -8.92770124, -8.93358065, -8.93767435, -8.9400578, -8.94082266, -8.9400373, -8.93778167, -8.93412063, -8.92912647, -8.92286451]",PBE,187.397035441399,0.00391400597156019,26.0,1.0,0.005299104853827672,0.005299104853827672,B,FindHistory,187.4069658068,0.0274712301,"[12.5505237329, 12.682634509, 12.8147452852, 12.9468560613, 13.0789668375, 13.2110776136, 13.3431883897, 13.4752991659, 13.607409942, 13.7395207181, 13.8716314943]" +12,TetraBloechl,PseudoPot_66x66x66_POS,VASP,V,"[-8.9199191, -8.9276924, -8.93358679, -8.937685590000001, -8.94008396, -8.94085489, -8.94008057, -8.93783134, -8.93418112, -8.92919868, -8.92294263]",PBE,187.397035441399,0.00391400597156019,66.0,1.0,0.00355531024561367,0.00355531024561367,B,FindHistory,187.40369798740002,0.025753323300000002,"[12.5494373655, 12.6815367062, 12.8136360469, 12.9457353876, 13.0778347283, 13.209934069, 13.3420334097, 13.4741327504, 13.6062320911, 13.7383314318, 13.8704307724]" +13,TetraBloechl,PseudoPot_30x30x30_POS,VASP,V,"[-8.91995272, -8.92772196, -8.93361012, -8.93770863, -8.94009913, -8.94086496, -8.940083659999999, -8.937828230000001, -8.934172, -8.9291816, -8.92291906]",PBE,187.397035441399,0.00391400597156019,30.0,1.0,0.03785644096978509,0.03785644096978509,B,FindHistory,187.4679772895,0.0274315381,"[12.5502088087, 12.6823162699, 12.814423731, 12.9465311922, 13.0786386533, 13.2107461144, 13.3428535756, 13.4749610367, 13.6070684979, 13.739175959, 13.8712834202]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,V,"[-8.91991917, -8.92769261, -8.93358593, -8.93768792, -8.94008272, -8.94085258, -8.9400773, -8.93782842, -8.93417658, -8.92919424, -8.92293868]",PBE,187.397035441399,0.00391400597156019,62.0,1.0,0.005407034469426873,0.005407034469426873,B,FindHistory,187.4071680637,0.026082361000000002,"[12.5494647139, 12.6815643425, 12.813663971, 12.9457635996, 13.0778632282, 13.2099628567, 13.3420624853, 13.4741621139, 13.6062617424, 13.738361371, 13.8704609996]" +15,TetraBloechl,PseudoPot_14x14x14_POS,VASP,V,"[-8.92195813, -8.92968957, -8.93553848, -8.93959517, -8.94194722, -8.94267593, -8.94185596, -8.93956234, -8.93586882, -8.93084058, -8.92454445]",PBE,187.397035441399,0.00391400597156019,14.0,1.0,0.10466101533518204,0.10466101533518204,B,FindHistory,187.5931670814,0.0277064347,"[12.5504499567, 12.6825599562, 12.8146699558, 12.9467799553, 13.0788899549, 13.2109999544, 13.3431099539, 13.4752199535, 13.607329953, 13.7394399526, 13.8715499521]" +16,TetraBloechl,PseudoPot_20x20x20_POS,VASP,V,"[-8.92002169, -8.92777452, -8.93364982, -8.93772778, -8.94009643, -8.94084238, -8.94004235, -8.93777203, -8.93410129, -8.9290995, -8.92283733]",PBE,187.397035441399,0.00391400597156019,20.0,1.0,0.009609977210456212,-0.009609977210456212,B,FindHistory,187.379026629,0.0343524248,"[12.5509642486, 12.6830796617, 12.8151950749, 12.947310488, 13.0794259011, 13.2115413143, 13.3436567274, 13.4757721406, 13.6078875537, 13.7400029669, 13.87211838]" +17,TetraBloechl,PseudoPot_46x46x46_POS,VASP,V,"[-8.9199342, -8.92770518, -8.93359365, -8.93769195, -8.94008328, -8.9408523, -8.94007266, -8.93781997, -8.93416897, -8.92918241, -8.92292765]",PBE,187.397035441399,0.00391400597156019,46.0,1.0,0.00927596530971404,-0.00927596530971404,B,FindHistory,187.37965255740002,0.0269117268,"[12.5496489912, 12.6817505596, 12.8138521279, 12.9459536962, 13.0780552645, 13.2101568329, 13.3422584012, 13.4743599695, 13.6064615379, 13.7385631062, 13.8706646745]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,V,"[-8.91992687, -8.92769987, -8.933590670000001, -8.93769171, -8.9400865, -8.9408569, -8.94008178, -8.93783277, -8.93418313, -8.92919521, -8.92293772]",PBE,187.397035441399,0.00391400597156019,48.0,1.0,0.011849867661290002,0.011849867661290002,B,FindHistory,187.41924174209998,0.019763571,"[12.5496072172, 12.6817083458, 12.8138094744, 12.945910603, 13.0780117316, 13.2101128603, 13.3422139889, 13.4743151175, 13.6064162461, 13.7385173747, 13.8706185033]" +19,TetraBloechl,PseudoPot_16x16x16_POS,VASP,V,"[-8.92016147, -8.92791079, -8.93378392, -8.93786932, -8.94025044, -8.94098563, -8.9402029, -8.93794624, -8.93427912, -8.92926863, -8.92299203]",PBE,187.397035441399,0.00391400597156019,16.0,1.0,0.02215613406220555,0.02215613406220555,B,FindHistory,187.4385553798,0.0501297484,"[12.5512120308, 12.6833300522, 12.8154480735, 12.9475660949, 13.0796841163, 13.2118021377, 13.3439201591, 13.4760381804, 13.6081562018, 13.7402742232, 13.8723922446]" +20,TetraBloechl,PseudoPot_56x56x56_POS,VASP,V,"[-8.91992114, -8.92769295, -8.93358451, -8.93768663, -8.94008259, -8.94085346, -8.94007615, -8.93783012, -8.9341785, -8.92919342, -8.92293941]",PBE,187.397035441399,0.00391400597156019,56.0,1.0,0.0005873020874828462,0.0005873020874828462,B,FindHistory,187.39813602810003,0.0283329481,"[12.5494993959, 12.6815993895, 12.8136993832, 12.9457993768, 13.0778993705, 13.2099993641, 13.3420993577, 13.4741993514, 13.606299345, 13.7383993387, 13.8704993323]" +21,TetraBloechl,PseudoPot_44x44x44_POS,VASP,V,"[-8.91992999, -8.927701710000001, -8.9335915, -8.93769094, -8.94008316, -8.94085219, -8.94007542, -8.93782409, -8.93417244, -8.92918743, -8.92292859]",PBE,187.397035441399,0.00391400597156019,44.0,1.0,0.0022446389245667697,0.0022446389245667697,B,FindHistory,187.4012418282,0.0209926261,"[12.5496671189, 12.681768878, 12.8138706372, 12.9459723963, 13.0780741555, 13.2101759146, 13.3422776738, 13.4743794329, 13.606481192, 13.7385829512, 13.8706847103]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,V,"[-8.91994848, -8.92771242, -8.93359333, -8.9376841, -8.94006852, -8.94083216, -8.94004969, -8.93779545, -8.93413907, -8.92914962, -8.92289176]",PBE,187.397035441399,0.00391400597156019,32.0,1.0,0.04196202779504985,-0.04196202779504985,B,FindHistory,187.31839984529998,0.0201156265,"[12.549930428, 12.6820349588, 12.8141394896, 12.9462440205, 13.0783485513, 13.2104530821, 13.3425576129, 13.4746621437, 13.6067666746, 13.7388712054, 13.8709757362]" +23,TetraBloechl,PseudoPot_42x42x42_POS,VASP,V,"[-8.91994265, -8.92771238, -8.93360165, -8.93769732, -8.94008872, -8.94085568, -8.94007471, -8.93782304, -8.93417091, -8.9291823, -8.92292486]",PBE,187.397035441399,0.00391400597156019,42.0,1.0,0.0017990365168108376,-0.0017990365168108376,B,FindHistory,187.3936641003,0.0218763442,"[12.5497327527, 12.6818352027, 12.8139376528, 12.9460401028, 13.0781425528, 13.2102450028, 13.3423474529, 13.4744499029, 13.6065523529, 13.738654803, 13.870757253]" +24,TetraBloechl,PseudoPot_34x34x34_POS,VASP,V,"[-8.91995405, -8.92772162, -8.93360593, -8.93770039, -8.94008891, -8.9408533, -8.9400702, -8.93781622, -8.93415956, -8.92916814, -8.92290842]",PBE,187.397035441399,0.00391400597156019,34.0,1.0,0.005279391575061588,0.005279391575061588,B,FindHistory,187.4069288647,0.0238032452,"[12.5500211996, 12.6821266859, 12.8142321722, 12.9463376585, 13.0784431448, 13.2105486312, 13.3426541175, 13.4747596038, 13.6068650901, 13.7389705764, 13.8710760627]" +25,TetraBloechl,PseudoPot_18x18x18_POS,VASP,V,"[-8.92041349, -8.92816198, -8.93402815, -8.93810563, -8.94047148, -8.94121716, -8.94041287, -8.93813628, -8.93445497, -8.92944104, -8.92315613]",PBE,187.397035441399,0.00391400597156019,18.0,1.0,0.10691255319439397,0.10691255319439397,B,FindHistory,187.5973863966,0.027519156500000003,"[12.5505966193, 12.6827081627, 12.814819706, 12.9469312494, 13.0790427928, 13.2111543361, 13.3432658795, 13.4753774228, 13.6074889662, 13.7396005096, 13.8717120529]" +26,TetraBloechl,PseudoPot_36x36x36_POS,VASP,V,"[-8.91993705, -8.92770575, -8.93359202, -8.93768932, -8.94008094, -8.94084777, -8.94006714, -8.937814490000001, -8.93415929, -8.92917078, -8.92291262]",PBE,187.397035441399,0.00391400597156019,36.0,1.0,0.005485495102305359,0.005485495102305359,B,FindHistory,187.4073150966,0.0279140283,"[12.5498427191, 12.6819463267, 12.8140499343, 12.9461535418, 13.0782571494, 13.210360757, 13.3424643645, 13.474567972100001, 13.6066715797, 13.7387751872, 13.8708787948]" +27,TetraBloechl,PseudoPot_70x70x70_POS,VASP,V,"[-8.91991799, -8.92769078, -8.93358502, -8.93768575, -8.94008353, -8.94085334, -8.94007939, -8.93783193, -8.93418348, -8.92919945, -8.92294439]",PBE,187.397035441399,0.00391400597156019,70.0,1.0,0.001394607120021716,-0.001394607120021716,B,FindHistory,187.39442198900002,0.0230803138,"[12.5494062258, 12.6815052387, 12.8136042516, 12.9457032645, 13.0778022774, 13.2099012903, 13.3420003032, 13.4740993161, 13.606198329, 13.738297341900001, 13.8703963548]" +28,TetraBloechl,PseudoPot_58x58x58_POS,VASP,V,"[-8.91992344, -8.92769761, -8.93359177, -8.93769184, -8.94008782, -8.94085703, -8.94008109, -8.93783147, -8.9341785, -8.92919282, -8.92293865]",PBE,187.397035441399,0.00391400597156019,58.0,1.0,0.019843098325120934,0.019843098325120934,B,FindHistory,187.4342208194,0.0279685948,"[12.5494959844, 12.6815959421, 12.8136958999, 12.9457958576, 13.0778958153, 13.2099957731, 13.3420957308, 13.4741956885, 13.6062956462, 13.738395604, 13.8704955617]" +29,TetraBloechl,PseudoPot_38x38x38_POS,VASP,V,"[-8.91994314, -8.92771449, -8.93360217, -8.93769956, -8.94008941, -8.940854, -8.94007355, -8.93782038, -8.93416465, -8.92917654, -8.92291814]",PBE,187.397035441399,0.00391400597156019,38.0,1.0,0.012048182751557116,0.012048182751557116,B,FindHistory,187.41961337869998,0.023311388500000002,"[12.5498128357, 12.6819161287, 12.8140194217, 12.9461227147, 13.0782260077, 13.2103293007, 13.3424325937, 13.4745358867, 13.6066391797, 13.7387424727, 13.8708457657]" +30,TetraBloechl,PseudoPot_60x60x60_POS,VASP,V,"[-8.91991983, -8.92769315, -8.93358691, -8.93768928, -8.94008389, -8.94085392, -8.94007905, -8.93783071, -8.93417893, -8.92919629, -8.92294028]",PBE,187.397035441399,0.00391400597156019,60.0,1.0,0.007640974611619179,0.007640974611619179,B,FindHistory,187.4113544013,0.025054990200000002,"[12.5494650573, 12.6815646895, 12.8136643217, 12.9457639539, 13.077863586, 13.2099632182, 13.3420628504, 13.4741624826, 13.6062621148, 13.738361747, 13.8704613791]" +31,TetraBloechl,PseudoPot_64x64x64_POS,VASP,V,"[-8.91991926, -8.92769224, -8.93358648, -8.93768555, -8.94008415, -8.94085525, -8.94008097, -8.93783349, -8.93418234, -8.92919795, -8.92294481]",PBE,187.397035441399,0.00391400597156019,64.0,1.0,0.002263215952692861,0.002263215952692861,B,FindHistory,187.40127664099998,0.0280023969,"[12.5494383591, 12.6815377103, 12.8136370614, 12.9457364126, 13.0778357637, 13.2099351149, 13.342034466, 13.4741338172, 13.6062331683, 13.7383325195, 13.870431870600001]" +32,TetraBloechl,PseudoPot_10x10x10_POS,VASP,V,"[-8.92504468, -8.93288542, -8.93882073, -8.94294131, -8.9453372, -8.94608902, -8.94527832, -8.94304035, -8.9393206, -8.93425596, -8.92790811]",PBE,187.397035441399,0.00391400597156019,10.0,1.0,0.9799050634262743,0.9799050634262743,B,FindHistory,189.2333484804,0.1186235659,"[12.5590922968, 12.6912932684, 12.8234942399, 12.9556952115, 13.087896183, 13.2200971546, 13.352298126099999, 13.4844990977, 13.6167000692, 13.7489010407, 13.8811020123]" +0,TetraBloechl,PseudoPot_52x52x52_POS,VASP,V,"[-8.91992916, -8.92769988, -8.93359222, -8.93769037, -8.94008362, -8.94085608, -8.94007958, -8.937828230000001, -8.93417635, -8.92919019, -8.92293539]",PBE,-8.94085226358273,5.73878291546655e-07,52.0,1.0,-1.07727171348455e-06,1.07727171348455e-06,E0,FindHistory,-8.940852359900003,1.5686000000000001e-06,"[12.5495415589, 12.6816419964, 12.8137424338, 12.9458428713, 13.0779433088, 13.2100437462, 13.3421441837, 13.4742446211, 13.6063450586, 13.7384454961, 13.8705459335]" +1,TetraBloechl,PseudoPot_54x54x54_POS,VASP,V,"[-8.91992613, -8.92769819, -8.9335863, -8.93768754, -8.9400817, -8.94085482, -8.94007727, -8.93782709, -8.93417835, -8.92919302, -8.92293882]",PBE,-8.94085226358273,5.73878291546655e-07,54.0,1.0,-2.279629133844565e-05,-2.279629133844565e-05,E0,FindHistory,-8.9408502254,1.5647e-06,"[12.5495441715, 12.6816446365, 12.8137451014, 12.9458455664, 13.0779460313, 13.2100464963, 13.3421469613, 13.4742474262, 13.6063478912, 13.7384483562, 13.8705488211]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,V,"[-9.05019106, -9.05756708, -9.06304541, -9.06672283, -9.06868524, -9.06901959, -9.06780414, -9.06511236, -9.06101745, -9.05559031, -9.04889205]",PBE,-8.94085226358273,5.73878291546655e-07,4.0,1.0,-1.4342242678539046,1.4342242678539046,E0,FindHistory,-9.069084136499999,9.224e-07,"[12.4099572165, 12.5405883451, 12.6712194737, 12.8018506023, 12.9324817309, 13.0631128595, 13.1937439881, 13.3243751167, 13.4550062453, 13.585637373800001, 13.7162685024]" +3,TetraBloechl,PseudoPot_68x68x68_POS,VASP,V,"[-8.91991772, -8.9276943, -8.93358501, -8.93768759, -8.94008279, -8.94085569, -8.94007833, -8.93783023, -8.93418145, -8.92919765, -8.922943740000001]",PBE,-8.94085226358273,5.73878291546655e-07,68.0,1.0,-5.631261050058151e-06,-5.631261050058151e-06,E0,FindHistory,-8.9408517601,1.3228e-06,"[12.5494149543, 12.6815140591, 12.8136131638, 12.9457122686, 13.0778113734, 13.2099104782, 13.342009583, 13.4741086877, 13.6062077925, 13.7383068973, 13.8704060021]" +4,TetraBloechl,PseudoPot_12x12x12_POS,VASP,V,"[-8.92281684, -8.93048959, -8.9364417, -8.94041518, -8.94268026, -8.94332947, -8.94244472, -8.94009599, -8.93635592, -8.93129029, -8.92496035]",PBE,-8.94085226358273,5.73878291546655e-07,12.0,1.0,-0.027925757451993792,0.027925757451993792,E0,FindHistory,-8.9433490643,1.5628800000000002e-05,"[12.5449377183, 12.6769896943, 12.809041670300001, 12.9410936462, 13.0731456222, 13.2051975982, 13.3372495742, 13.4693015502, 13.6013535262, 13.7334055021, 13.8654574781]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,V,"[-8.91992741, -8.92769978, -8.93359022, -8.9376908, -8.94008457, -8.94085287, -8.94007457, -8.93782442, -8.93417458, -8.929188270000001, -8.92293363]",PBE,-8.94085226358273,5.73878291546655e-07,50.0,1.0,-2.3556845235239668e-05,-2.3556845235239668e-05,E0,FindHistory,-8.9408501574,1.3952e-06,"[12.5495918495, 12.6816928164, 12.8137937832, 12.9458947501, 13.0779957169, 13.2100966837, 13.3421976506, 13.4742986174, 13.6063995842, 13.7385005511, 13.8706015179]" +6,TetraBloechl,PseudoPot_8x8x8_POS,VASP,V,"[-8.936719740000001, -8.94432221, -8.95006227, -8.95402731, -8.95630062, -8.95696261, -8.95609379, -8.95305497, -8.94931553, -8.94425167, -8.93792444]",PBE,-8.94085226358273,5.73878291546655e-07,8.0,1.0,-0.17878659490187712,0.17878659490187712,E0,FindHistory,-8.956837308899997,8.18206e-05,"[12.5073807483, 12.6390373878, 12.7706940272, 12.9023506667, 13.0340073061, 13.1656639456, 13.2973205851, 13.4289772245, 13.560633864, 13.6922905034, 13.8239471429]" +7,TetraBloechl,PseudoPot_40x40x40_POS,VASP,V,"[-8.91993629, -8.92770375, -8.93359188, -8.93768963, -8.94008096, -8.94084946, -8.94007197, -8.93781998, -8.93416727, -8.92917995, -8.92292519]",PBE,-8.94085226358273,5.73878291546655e-07,40.0,1.0,-6.217285071090163e-05,-6.217285071090163e-05,E0,FindHistory,-8.9408467048,1.5616999999999996e-06,"[12.5497740663, 12.6818769512, 12.8139798361, 12.946082721, 13.0781856059, 13.2102884908, 13.3423913757, 13.4744942606, 13.6065971456, 13.7387000305, 13.8708029154]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,V,"[-8.91997936, -8.92773506, -8.93360997, -8.93769599, -8.94008201, -8.94083719, -8.94004537, -8.93778281, -8.93411957, -8.92911974, -8.92284901]",PBE,-8.94085226358273,5.73878291546655e-07,24.0,1.0,-0.00020903916291724914,-0.00020903916291724914,E0,FindHistory,-8.9408335737,1.7531e-06,"[12.5503009697, 12.6824094009, 12.8145178322, 12.9466262635, 13.0787346947, 13.210843126, 13.3429515572, 13.4750599885, 13.6071684198, 13.739276851, 13.8713852823]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,V,"[-8.91994247, -8.92769997, -8.93357909, -8.93766593, -8.94004704, -8.94080717, -8.94002058, -8.93776113, -8.93410239, -8.92911149, -8.92285034]",PBE,-8.94085226358273,5.73878291546655e-07,28.0,1.0,-0.0005365705786784129,-0.0005365705786784129,E0,FindHistory,-8.9408042896,1.3669e-06,"[12.5500256314, 12.6821311643, 12.8142366973, 12.9463422303, 13.0784477632, 13.2105532962, 13.3426588291, 13.4747643621, 13.606869895100001, 13.738975428, 13.871080961]" +10,TetraBloechl,PseudoPot_22x22x22_POS,VASP,V,"[-8.91993278, -8.92769239, -8.93357798, -8.93766999, -8.94005356, -8.94080981, -8.94002075, -8.93776081, -8.93409856, -8.9291037, -8.92284384]",PBE,-8.94085226358273,5.73878291546655e-07,22.0,1.0,-0.000504187759743545,-0.000504187759743545,E0,FindHistory,-8.9408071849,2.1603e-06,"[12.5507689641, 12.6828823216, 12.8149956791, 12.9471090366, 13.0792223941, 13.2113357517, 13.3434491092, 13.4755624667, 13.6076758242, 13.7397891817, 13.8719025392]" +11,TetraBloechl,PseudoPot_26x26x26_POS,VASP,V,"[-8.91993697, -8.92770124, -8.93358065, -8.93767435, -8.9400578, -8.94082266, -8.9400373, -8.93778167, -8.93412063, -8.92912647, -8.92286451]",PBE,-8.94085226358273,5.73878291546655e-07,26.0,1.0,-0.0003694780067674597,-0.0003694780067674597,E0,FindHistory,-8.940819229099999,1.4972999999999996e-06,"[12.5505237329, 12.682634509, 12.8147452852, 12.9468560613, 13.0789668375, 13.2110776136, 13.3431883897, 13.4752991659, 13.607409942, 13.7395207181, 13.8716314943]" +12,TetraBloechl,PseudoPot_66x66x66_POS,VASP,V,"[-8.9199191, -8.9276924, -8.93358679, -8.937685590000001, -8.94008396, -8.94085489, -8.94008057, -8.93783134, -8.93418112, -8.92919868, -8.92294263]",PBE,-8.94085226358273,5.73878291546655e-07,66.0,1.0,-1.0644699711272966e-07,1.0644699711272966e-07,E0,FindHistory,-8.940852273099999,1.4023e-06,"[12.5494373655, 12.6815367062, 12.8136360469, 12.9457353876, 13.0778347283, 13.209934069, 13.3420334097, 13.4741327504, 13.6062320911, 13.7383314318, 13.8704307724]" +13,TetraBloechl,PseudoPot_30x30x30_POS,VASP,V,"[-8.91995272, -8.92772196, -8.93361012, -8.93770863, -8.94009913, -8.94086496, -8.940083659999999, -8.937828230000001, -8.934172, -8.9291816, -8.92291906]",PBE,-8.94085226358273,5.73878291546655e-07,30.0,1.0,-0.0001096910784372565,0.0001096910784372565,E0,FindHistory,-8.9408620709,1.4944999999999996e-06,"[12.5502088087, 12.6823162699, 12.814423731, 12.9465311922, 13.0786386533, 13.2107461144, 13.3428535756, 13.4749610367, 13.6070684979, 13.739175959, 13.8712834202]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,V,"[-8.91991917, -8.92769261, -8.93358593, -8.93768792, -8.94008272, -8.94085258, -8.9400773, -8.93782842, -8.93417658, -8.92919424, -8.92293868]",PBE,-8.94085226358273,5.73878291546655e-07,62.0,1.0,-2.019586810313268e-05,-2.019586810313268e-05,E0,FindHistory,-8.9408504579,1.4203e-06,"[12.5494647139, 12.6815643425, 12.813663971, 12.9457635996, 13.0778632282, 13.2099628567, 13.3420624853, 13.4741621139, 13.6062617424, 13.738361371, 13.8704609996]" +15,TetraBloechl,PseudoPot_14x14x14_POS,VASP,V,"[-8.92195813, -8.92968957, -8.93553848, -8.93959517, -8.94194722, -8.94267593, -8.94185596, -8.93956234, -8.93586882, -8.93084058, -8.92454445]",PBE,-8.94085226358273,5.73878291546655e-07,14.0,1.0,-0.020365974781688573,0.020365974781688573,E0,FindHistory,-8.9426731553,1.5144e-06,"[12.5504499567, 12.6825599562, 12.8146699558, 12.9467799553, 13.0788899549, 13.2109999544, 13.3431099539, 13.4752199535, 13.607329953, 13.7394399526, 13.8715499521]" +16,TetraBloechl,PseudoPot_20x20x20_POS,VASP,V,"[-8.92002169, -8.92777452, -8.93364982, -8.93772778, -8.94009643, -8.94084238, -8.94004235, -8.93777203, -8.93410129, -8.9290995, -8.92283733]",PBE,-8.94085226358273,5.73878291546655e-07,20.0,1.0,-0.00013620382455330218,-0.00013620382455330218,E0,FindHistory,-8.9408400858,1.8745e-06,"[12.5509642486, 12.6830796617, 12.8151950749, 12.947310488, 13.0794259011, 13.2115413143, 13.3436567274, 13.4757721406, 13.6078875537, 13.7400029669, 13.87211838]" +17,TetraBloechl,PseudoPot_46x46x46_POS,VASP,V,"[-8.9199342, -8.92770518, -8.93359365, -8.93769195, -8.94008328, -8.9408523, -8.94007266, -8.93781997, -8.93416897, -8.92918241, -8.92292765]",PBE,-8.94085226358273,5.73878291546655e-07,46.0,1.0,-4.110550786705986e-05,-4.110550786705986e-05,E0,FindHistory,-8.9408485884,1.4658000000000004e-06,"[12.5496489912, 12.6817505596, 12.8138521279, 12.9459536962, 13.0780552645, 13.2101568329, 13.3422584012, 13.4743599695, 13.6064615379, 13.7385631062, 13.8706646745]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,V,"[-8.91992687, -8.92769987, -8.933590670000001, -8.93769171, -8.9400865, -8.9408569, -8.94008178, -8.93783277, -8.93418313, -8.92919521, -8.92293772]",PBE,-8.94085226358273,5.73878291546655e-07,48.0,1.0,-3.223201978058175e-05,3.223201978058175e-05,E0,FindHistory,-8.9408551454,1.0763e-06,"[12.5496072172, 12.6817083458, 12.8138094744, 12.945910603, 13.0780117316, 13.2101128603, 13.3422139889, 13.4743151175, 13.6064162461, 13.7385173747, 13.8706185033]" +19,TetraBloechl,PseudoPot_16x16x16_POS,VASP,V,"[-8.92016147, -8.92791079, -8.93378392, -8.93786932, -8.94025044, -8.94098563, -8.9402029, -8.93794624, -8.93427912, -8.92926863, -8.92299203]",PBE,-8.94085226358273,5.73878291546655e-07,16.0,1.0,-0.001610269502563962,0.001610269502563962,E0,FindHistory,-8.9409962354,2.7344e-06,"[12.5512120308, 12.6833300522, 12.8154480735, 12.9475660949, 13.0796841163, 13.2118021377, 13.3439201591, 13.4760381804, 13.6081562018, 13.7402742232, 13.8723922446]" +20,TetraBloechl,PseudoPot_56x56x56_POS,VASP,V,"[-8.91992114, -8.92769295, -8.93358451, -8.93768663, -8.94008259, -8.94085346, -8.94007615, -8.93783012, -8.9341785, -8.92919342, -8.92293941]",PBE,-8.94085226358273,5.73878291546655e-07,56.0,1.0,-2.1678948198900837e-05,-2.1678948198900837e-05,E0,FindHistory,-8.9408503253,1.5428e-06,"[12.5494993959, 12.6815993895, 12.8136993832, 12.9457993768, 13.0778993705, 13.2099993641, 13.3420993577, 13.4741993514, 13.606299345, 13.7383993387, 13.8704993323]" +21,TetraBloechl,PseudoPot_44x44x44_POS,VASP,V,"[-8.91992999, -8.927701710000001, -8.9335915, -8.93769094, -8.94008316, -8.94085219, -8.94007542, -8.93782409, -8.93417244, -8.92918743, -8.92292859]",PBE,-8.94085226358273,5.73878291546655e-07,44.0,1.0,-2.4492997599157625e-05,-2.4492997599157625e-05,E0,FindHistory,-8.9408500737,1.1434e-06,"[12.5496671189, 12.681768878, 12.8138706372, 12.9459723963, 13.0780741555, 13.2101759146, 13.3422776738, 13.4743794329, 13.606481192, 13.7385829512, 13.8706847103]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,V,"[-8.91994848, -8.92771242, -8.93359333, -8.9376841, -8.94006852, -8.94083216, -8.94004969, -8.93779545, -8.93413907, -8.92914962, -8.92289176]",PBE,-8.94085226358273,5.73878291546655e-07,32.0,1.0,-0.000248022023810835,-0.000248022023810835,E0,FindHistory,-8.9408300883,1.0962e-06,"[12.549930428, 12.6820349588, 12.8141394896, 12.9462440205, 13.0783485513, 13.2104530821, 13.3425576129, 13.4746621437, 13.6067666746, 13.7388712054, 13.8709757362]" +23,TetraBloechl,PseudoPot_42x42x42_POS,VASP,V,"[-8.91994265, -8.92771238, -8.93360165, -8.93769732, -8.94008872, -8.94085568, -8.94007471, -8.93782304, -8.93417091, -8.9291823, -8.92292486]",PBE,-8.94085226358273,5.73878291546655e-07,42.0,1.0,-6.408978163343168e-06,6.408978163343168e-06,E0,FindHistory,-8.9408528366,1.1917e-06,"[12.5497327527, 12.6818352027, 12.8139376528, 12.9460401028, 13.0781425528, 13.2102450028, 13.3423474529, 13.4744499029, 13.6065523529, 13.738654803, 13.870757253]" +24,TetraBloechl,PseudoPot_34x34x34_POS,VASP,V,"[-8.91995405, -8.92772162, -8.93360593, -8.93770039, -8.94008891, -8.9408533, -8.9400702, -8.93781622, -8.93415956, -8.92916814, -8.92290842]",PBE,-8.94085226358273,5.73878291546655e-07,34.0,1.0,-1.9218332656293087e-05,-1.9218332656293087e-05,E0,FindHistory,-8.9408505453,1.2969999999999998e-06,"[12.5500211996, 12.6821266859, 12.8142321722, 12.9463376585, 13.0784431448, 13.2105486312, 13.3426541175, 13.4747596038, 13.6068650901, 13.7389705764, 13.8710760627]" +25,TetraBloechl,PseudoPot_18x18x18_POS,VASP,V,"[-8.92041349, -8.92816198, -8.93402815, -8.93810563, -8.94047148, -8.94121716, -8.94041287, -8.93813628, -8.93445497, -8.92944104, -8.92315613]",PBE,-8.94085226358273,5.73878291546655e-07,18.0,1.0,-0.004050063758954896,0.004050063758954896,E0,FindHistory,-8.9412143738,1.5022e-06,"[12.5505966193, 12.6827081627, 12.814819706, 12.9469312494, 13.0790427928, 13.2111543361, 13.3432658795, 13.4753774228, 13.6074889662, 13.7396005096, 13.8717120529]" +26,TetraBloechl,PseudoPot_36x36x36_POS,VASP,V,"[-8.91993705, -8.92770575, -8.93359202, -8.93768932, -8.94008094, -8.94084777, -8.94006714, -8.937814490000001, -8.93415929, -8.92917078, -8.92291262]",PBE,-8.94085226358273,5.73878291546655e-07,36.0,1.0,-8.666268608038255e-05,-8.666268608038255e-05,E0,FindHistory,-8.9408445152,1.5207e-06,"[12.5498427191, 12.6819463267, 12.8140499343, 12.9461535418, 13.0782571494, 13.210360757, 13.3424643645, 13.474567972100001, 13.6066715797, 13.7387751872, 13.8708787948]" +27,TetraBloechl,PseudoPot_70x70x70_POS,VASP,V,"[-8.91991799, -8.92769078, -8.93358502, -8.93768575, -8.94008353, -8.94085334, -8.94007939, -8.93783193, -8.93418348, -8.92919945, -8.92294439]",PBE,-8.94085226358273,5.73878291546655e-07,70.0,1.0,-5.781134898068638e-06,-5.781134898068638e-06,E0,FindHistory,-8.9408517467,1.2567e-06,"[12.5494062258, 12.6815052387, 12.8136042516, 12.9457032645, 13.0778022774, 13.2099012903, 13.3420003032, 13.4740993161, 13.606198329, 13.738297341900001, 13.8703963548]" +28,TetraBloechl,PseudoPot_58x58x58_POS,VASP,V,"[-8.91992344, -8.92769761, -8.93359177, -8.93769184, -8.94008782, -8.94085703, -8.94008109, -8.93783147, -8.9341785, -8.92919282, -8.92293865]",PBE,-8.94085226358273,5.73878291546655e-07,58.0,1.0,-2.7864427197419976e-05,2.7864427197419976e-05,E0,FindHistory,-8.9408547549,1.5231e-06,"[12.5494959844, 12.6815959421, 12.8136958999, 12.9457958576, 13.0778958153, 13.2099957731, 13.3420957308, 13.4741956885, 13.6062956462, 13.738395604, 13.8704955617]" +29,TetraBloechl,PseudoPot_38x38x38_POS,VASP,V,"[-8.91994314, -8.92771449, -8.93360217, -8.93769956, -8.94008941, -8.940854, -8.94007355, -8.93782038, -8.93416465, -8.92917654, -8.92291814]",PBE,-8.94085226358273,5.73878291546655e-07,38.0,1.0,-1.1551776819396473e-06,-1.1551776819396473e-06,E0,FindHistory,-8.9408521603,1.27e-06,"[12.5498128357, 12.6819161287, 12.8140194217, 12.9461227147, 13.0782260077, 13.2103293007, 13.3424325937, 13.4745358867, 13.6066391797, 13.7387424727, 13.8708457657]" +30,TetraBloechl,PseudoPot_60x60x60_POS,VASP,V,"[-8.91991983, -8.92769315, -8.93358691, -8.93768928, -8.94008389, -8.94085392, -8.94007905, -8.93783071, -8.93417893, -8.92919629, -8.92294028]",PBE,-8.94085226358273,5.73878291546655e-07,60.0,1.0,-1.6853284882810781e-06,-1.6853284882810781e-06,E0,FindHistory,-8.9408521129,1.3643e-06,"[12.5494650573, 12.6815646895, 12.8136643217, 12.9457639539, 13.077863586, 13.2099632182, 13.3420628504, 13.4741624826, 13.6062621148, 13.738361747, 13.8704613791]" +31,TetraBloechl,PseudoPot_64x64x64_POS,VASP,V,"[-8.91991926, -8.92769224, -8.93358648, -8.93768555, -8.94008415, -8.94085525, -8.94008097, -8.93783349, -8.93418234, -8.92919795, -8.92294481]",PBE,-8.94085226358273,5.73878291546655e-07,64.0,1.0,-4.760365755756339e-06,4.760365755756339e-06,E0,FindHistory,-8.9408526892,1.5247e-06,"[12.5494383591, 12.6815377103, 12.8136370614, 12.9457364126, 13.0778357637, 13.2099351149, 13.342034466, 13.4741338172, 13.6062331683, 13.7383325195, 13.870431870600001]" +32,TetraBloechl,PseudoPot_10x10x10_POS,VASP,V,"[-8.92504468, -8.93288542, -8.93882073, -8.94294131, -8.9453372, -8.94608902, -8.94527832, -8.94304035, -8.9393206, -8.93425596, -8.92790811]",PBE,-8.94085226358273,5.73878291546655e-07,10.0,1.0,-0.058695197756985056,0.058695197756985056,E0,FindHistory,-8.9461001145,6.474299999999998e-06,"[12.5590922968, 12.6912932684, 12.8234942399, 12.9556952115, 13.087896183, 13.2200971546, 13.352298126099999, 13.4844990977, 13.6167000692, 13.7489010407, 13.8811020123]" +0,TetraBloechl,PseudoPot_52x52x52_POS,VASP,V,"[-8.91992916, -8.92769988, -8.93359222, -8.93769037, -8.94008362, -8.94085608, -8.94007958, -8.937828230000001, -8.93417635, -8.92919019, -8.92293539]",PBE,3.89404155535223,0.00242030268757949,52.0,1.0,0.06659808621368196,-0.06659808621368196,dB,FindHistory,3.8914481982,0.0168724915,"[12.5495415589, 12.6816419964, 12.8137424338, 12.9458428713, 13.0779433088, 13.2100437462, 13.3421441837, 13.4742446211, 13.6063450586, 13.7384454961, 13.8705459335]" +1,TetraBloechl,PseudoPot_54x54x54_POS,VASP,V,"[-8.91992613, -8.92769819, -8.9335863, -8.93768754, -8.9400817, -8.94085482, -8.94007727, -8.93782709, -8.93417835, -8.92919302, -8.92293882]",PBE,3.89404155535223,0.00242030268757949,54.0,1.0,0.12778340655843487,-0.12778340655843487,dB,FindHistory,3.8890656164,0.016831322200000002,"[12.5495441715, 12.6816446365, 12.8137451014, 12.9458455664, 13.0779460313, 13.2100464963, 13.3421469613, 13.4742474262, 13.6063478912, 13.7384483562, 13.8705488211]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,V,"[-9.05019106, -9.05756708, -9.06304541, -9.06672283, -9.06868524, -9.06901959, -9.06780414, -9.06511236, -9.06101745, -9.05559031, -9.04889205]",PBE,3.89404155535223,0.00242030268757949,4.0,1.0,2.6885878196104613,2.6885878196104613,dB,FindHistory,3.9987362823,0.0098948057,"[12.4099572165, 12.5405883451, 12.6712194737, 12.8018506023, 12.9324817309, 13.0631128595, 13.1937439881, 13.3243751167, 13.4550062453, 13.585637373800001, 13.7162685024]" +3,TetraBloechl,PseudoPot_68x68x68_POS,VASP,V,"[-8.91991772, -8.9276943, -8.93358501, -8.93768759, -8.94008279, -8.94085569, -8.94007833, -8.93783023, -8.93418145, -8.92919765, -8.922943740000001]",PBE,3.89404155535223,0.00242030268757949,68.0,1.0,0.2152482408989546,0.2152482408989546,dB,FindHistory,3.9024234113,0.0142275256,"[12.5494149543, 12.6815140591, 12.8136131638, 12.9457122686, 13.0778113734, 13.2099104782, 13.342009583, 13.4741086877, 13.6062077925, 13.7383068973, 13.8704060021]" +4,TetraBloechl,PseudoPot_12x12x12_POS,VASP,V,"[-8.92281684, -8.93048959, -8.9364417, -8.94041518, -8.94268026, -8.94332947, -8.94244472, -8.94009599, -8.93635592, -8.93129029, -8.92496035]",PBE,3.89404155535223,0.00242030268757949,12.0,1.0,12.755953884596888,12.755953884596888,dB,FindHistory,4.3907637004,0.1679739214,"[12.5449377183, 12.6769896943, 12.809041670300001, 12.9410936462, 13.0731456222, 13.2051975982, 13.3372495742, 13.4693015502, 13.6013535262, 13.7334055021, 13.8654574781]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,V,"[-8.91992741, -8.92769978, -8.93359022, -8.9376908, -8.94008457, -8.94085287, -8.94007457, -8.93782442, -8.93417458, -8.929188270000001, -8.92293363]",PBE,3.89404155535223,0.00242030268757949,50.0,1.0,0.30458627827093154,0.30458627827093154,dB,FindHistory,3.905902271600001,0.015007543600000001,"[12.5495918495, 12.6816928164, 12.8137937832, 12.9458947501, 13.0779957169, 13.2100966837, 13.3421976506, 13.4742986174, 13.6063995842, 13.7385005511, 13.8706015179]" +6,TetraBloechl,PseudoPot_8x8x8_POS,VASP,V,"[-8.936719740000001, -8.94432221, -8.95006227, -8.95402731, -8.95630062, -8.95696261, -8.95609379, -8.95305497, -8.94931553, -8.94425167, -8.93792444]",PBE,3.89404155535223,0.00242030268757949,8.0,1.0,20.688220341164282,20.688220341164282,dB,FindHistory,4.6996494525,0.8748621064000001,"[12.5073807483, 12.6390373878, 12.7706940272, 12.9023506667, 13.0340073061, 13.1656639456, 13.2973205851, 13.4289772245, 13.560633864, 13.6922905034, 13.8239471429]" +7,TetraBloechl,PseudoPot_40x40x40_POS,VASP,V,"[-8.91993629, -8.92770375, -8.93359188, -8.93768963, -8.94008096, -8.94084946, -8.94007197, -8.93781998, -8.93416727, -8.92917995, -8.92292519]",PBE,3.89404155535223,0.00242030268757949,40.0,1.0,0.045356109510501064,-0.045356109510501064,dB,FindHistory,3.8922753696,0.0168024843,"[12.5497740663, 12.6818769512, 12.8139798361, 12.946082721, 13.0781856059, 13.2102884908, 13.3423913757, 13.4744942606, 13.6065971456, 13.7387000305, 13.8708029154]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,V,"[-8.91997936, -8.92773506, -8.93360997, -8.93769599, -8.94008201, -8.94083719, -8.94004537, -8.93778281, -8.93411957, -8.92911974, -8.92284901]",PBE,3.89404155535223,0.00242030268757949,24.0,1.0,0.43876879096850524,-0.43876879096850524,dB,FindHistory,3.8769557163,0.0188626757,"[12.5503009697, 12.6824094009, 12.8145178322, 12.9466262635, 13.0787346947, 13.210843126, 13.3429515572, 13.4750599885, 13.6071684198, 13.739276851, 13.8713852823]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,V,"[-8.91994247, -8.92769997, -8.93357909, -8.93766593, -8.94004704, -8.94080717, -8.94002058, -8.93776113, -8.93410239, -8.92911149, -8.92285034]",PBE,3.89404155535223,0.00242030268757949,28.0,1.0,0.32352479470729517,0.32352479470729517,dB,FindHistory,3.9066397453,0.0147150627,"[12.5500256314, 12.6821311643, 12.8142366973, 12.9463422303, 13.0784477632, 13.2105532962, 13.3426588291, 13.4747643621, 13.606869895100001, 13.738975428, 13.871080961]" +10,TetraBloechl,PseudoPot_22x22x22_POS,VASP,V,"[-8.91993278, -8.92769239, -8.93357798, -8.93766999, -8.94005356, -8.94080981, -8.94002075, -8.93776081, -8.93409856, -8.9291037, -8.92284384]",PBE,3.89404155535223,0.00242030268757949,22.0,1.0,0.8703839048965742,0.8703839048965742,dB,FindHistory,3.9279346663,0.0232404779,"[12.5507689641, 12.6828823216, 12.8149956791, 12.9471090366, 13.0792223941, 13.2113357517, 13.3434491092, 13.4755624667, 13.6076758242, 13.7397891817, 13.8719025392]" +11,TetraBloechl,PseudoPot_26x26x26_POS,VASP,V,"[-8.91993697, -8.92770124, -8.93358065, -8.93767435, -8.9400578, -8.94082266, -8.9400373, -8.93778167, -8.93412063, -8.92912647, -8.92286451]",PBE,3.89404155535223,0.00242030268757949,26.0,1.0,0.17438135047369827,-0.17438135047369827,dB,FindHistory,3.8872510731,0.0161080026,"[12.5505237329, 12.682634509, 12.8147452852, 12.9468560613, 13.0789668375, 13.2110776136, 13.3431883897, 13.4752991659, 13.607409942, 13.7395207181, 13.8716314943]" +12,TetraBloechl,PseudoPot_66x66x66_POS,VASP,V,"[-8.9199191, -8.9276924, -8.93358679, -8.937685590000001, -8.94008396, -8.94085489, -8.94008057, -8.93783134, -8.93418112, -8.92919868, -8.92294263]",PBE,3.89404155535223,0.00242030268757949,66.0,1.0,0.04666307296419503,-0.04666307296419503,dB,FindHistory,3.8922244759,0.0150808517,"[12.5494373655, 12.6815367062, 12.8136360469, 12.9457353876, 13.0778347283, 13.209934069, 13.3420334097, 13.4741327504, 13.6062320911, 13.7383314318, 13.8704307724]" +13,TetraBloechl,PseudoPot_30x30x30_POS,VASP,V,"[-8.91995272, -8.92772196, -8.93361012, -8.93770863, -8.94009913, -8.94086496, -8.940083659999999, -8.937828230000001, -8.934172, -8.9291816, -8.92291906]",PBE,3.89404155535223,0.00242030268757949,30.0,1.0,0.006479030698150384,0.006479030698150384,dB,FindHistory,3.8942938515,0.0160726773,"[12.5502088087, 12.6823162699, 12.814423731, 12.9465311922, 13.0786386533, 13.2107461144, 13.3428535756, 13.4749610367, 13.6070684979, 13.739175959, 13.8712834202]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,V,"[-8.91991917, -8.92769261, -8.93358593, -8.93768792, -8.94008272, -8.94085258, -8.9400773, -8.93782842, -8.93417658, -8.92919424, -8.92293868]",PBE,3.89404155535223,0.00242030268757949,62.0,1.0,0.2128420390475286,0.2128420390475286,dB,FindHistory,3.9023297128,0.0152739794,"[12.5494647139, 12.6815643425, 12.813663971, 12.9457635996, 13.0778632282, 13.2099628567, 13.3420624853, 13.4741621139, 13.6062617424, 13.738361371, 13.8704609996]" +15,TetraBloechl,PseudoPot_14x14x14_POS,VASP,V,"[-8.92195813, -8.92968957, -8.93553848, -8.93959517, -8.94194722, -8.94267593, -8.94185596, -8.93956234, -8.93586882, -8.93084058, -8.92454445]",PBE,3.89404155535223,0.00242030268757949,14.0,1.0,0.255649897574591,0.255649897574591,dB,FindHistory,3.9039966686,0.016297518,"[12.5504499567, 12.6825599562, 12.8146699558, 12.9467799553, 13.0788899549, 13.2109999544, 13.3431099539, 13.4752199535, 13.607329953, 13.7394399526, 13.8715499521]" +16,TetraBloechl,PseudoPot_20x20x20_POS,VASP,V,"[-8.92002169, -8.92777452, -8.93364982, -8.93772778, -8.94009643, -8.94084238, -8.94004235, -8.93777203, -8.93410129, -8.9290995, -8.92283733]",PBE,3.89404155535223,0.00242030268757949,20.0,1.0,1.9937609227887971,1.9937609227887971,dB,FindHistory,3.9716794342,0.0201783487,"[12.5509642486, 12.6830796617, 12.8151950749, 12.947310488, 13.0794259011, 13.2115413143, 13.3436567274, 13.4757721406, 13.6078875537, 13.7400029669, 13.87211838]" +17,TetraBloechl,PseudoPot_46x46x46_POS,VASP,V,"[-8.9199342, -8.92770518, -8.93359365, -8.93769195, -8.94008328, -8.9408523, -8.94007266, -8.93781997, -8.93416897, -8.92918241, -8.92292765]",PBE,3.89404155535223,0.00242030268757949,46.0,1.0,0.35337898047997324,0.35337898047997324,dB,FindHistory,3.9078022797000003,0.0157712421,"[12.5496489912, 12.6817505596, 12.8138521279, 12.9459536962, 13.0780552645, 13.2101568329, 13.3422584012, 13.4743599695, 13.6064615379, 13.7385631062, 13.8706646745]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,V,"[-8.91992687, -8.92769987, -8.933590670000001, -8.93769171, -8.9400865, -8.9408569, -8.94008178, -8.93783277, -8.93418313, -8.92919521, -8.92293772]",PBE,3.89404155535223,0.00242030268757949,48.0,1.0,0.3241062524071783,-0.3241062524071783,dB,FindHistory,3.8814207231999998,0.0115764892,"[12.5496072172, 12.6817083458, 12.8138094744, 12.945910603, 13.0780117316, 13.2101128603, 13.3422139889, 13.4743151175, 13.6064162461, 13.7385173747, 13.8706185033]" +19,TetraBloechl,PseudoPot_16x16x16_POS,VASP,V,"[-8.92016147, -8.92791079, -8.93378392, -8.93786932, -8.94025044, -8.94098563, -8.9402029, -8.93794624, -8.93427912, -8.92926863, -8.92299203]",PBE,3.89404155535223,0.00242030268757949,16.0,1.0,0.9609269783163685,-0.9609269783163685,dB,FindHistory,3.8566226595,0.0294192614,"[12.5512120308, 12.6833300522, 12.8154480735, 12.9475660949, 13.0796841163, 13.2118021377, 13.3439201591, 13.4760381804, 13.6081562018, 13.7402742232, 13.8723922446]" +20,TetraBloechl,PseudoPot_56x56x56_POS,VASP,V,"[-8.91992114, -8.92769295, -8.93358451, -8.93768663, -8.94008259, -8.94085346, -8.94007615, -8.93783012, -8.9341785, -8.92919342, -8.92293941]",PBE,3.89404155535223,0.00242030268757949,56.0,1.0,0.09141390253880124,-0.09141390253880124,dB,FindHistory,3.89048186,0.0165940903,"[12.5494993959, 12.6815993895, 12.8136993832, 12.9457993768, 13.0778993705, 13.2099993641, 13.3420993577, 13.4741993514, 13.606299345, 13.7383993387, 13.8704993323]" +21,TetraBloechl,PseudoPot_44x44x44_POS,VASP,V,"[-8.91992999, -8.927701710000001, -8.9335915, -8.93769094, -8.94008316, -8.94085219, -8.94007542, -8.93782409, -8.93417244, -8.92918743, -8.92292859]",PBE,3.89404155535223,0.00242030268757949,44.0,1.0,0.01113666460939326,0.01113666460939326,dB,FindHistory,3.8944752217,0.0122978118,"[12.5496671189, 12.681768878, 12.8138706372, 12.9459723963, 13.0780741555, 13.2101759146, 13.3422776738, 13.4743794329, 13.606481192, 13.7385829512, 13.8706847103]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,V,"[-8.91994848, -8.92771242, -8.93359333, -8.9376841, -8.94006852, -8.94083216, -8.94004969, -8.93779545, -8.93413907, -8.92914962, -8.92289176]",PBE,3.89404155535223,0.00242030268757949,32.0,1.0,0.2040108261518449,0.2040108261518449,dB,FindHistory,3.9019858217000003,0.011799319,"[12.549930428, 12.6820349588, 12.8141394896, 12.9462440205, 13.0783485513, 13.2104530821, 13.3425576129, 13.4746621437, 13.6067666746, 13.7388712054, 13.8709757362]" +23,TetraBloechl,PseudoPot_42x42x42_POS,VASP,V,"[-8.91994265, -8.92771238, -8.93360165, -8.93769732, -8.94008872, -8.94085568, -8.94007471, -8.93782304, -8.93417091, -8.9291823, -8.92292486]",PBE,3.89404155535223,0.00242030268757949,42.0,1.0,0.24589532267854314,0.24589532267854314,dB,FindHistory,3.9036168214,0.0128194753,"[12.5497327527, 12.6818352027, 12.8139376528, 12.9460401028, 13.0781425528, 13.2102450028, 13.3423474529, 13.4744499029, 13.6065523529, 13.738654803, 13.870757253]" +24,TetraBloechl,PseudoPot_34x34x34_POS,VASP,V,"[-8.91995405, -8.92772162, -8.93360593, -8.93770039, -8.94008891, -8.9408533, -8.9400702, -8.93781622, -8.93415956, -8.92916814, -8.92290842]",PBE,3.89404155535223,0.00242030268757949,34.0,1.0,0.12612900447914968,0.12612900447914968,dB,FindHistory,3.8989530712000002,0.0139538246,"[12.5500211996, 12.6821266859, 12.8142321722, 12.9463376585, 13.0784431448, 13.2105486312, 13.3426541175, 13.4747596038, 13.6068650901, 13.7389705764, 13.8710760627]" +25,TetraBloechl,PseudoPot_18x18x18_POS,VASP,V,"[-8.92041349, -8.92816198, -8.93402815, -8.93810563, -8.94047148, -8.94121716, -8.94041287, -8.93813628, -8.93445497, -8.92944104, -8.92315613]",PBE,3.89404155535223,0.00242030268757949,18.0,1.0,0.023865866324740782,-0.023865866324740782,dB,FindHistory,3.8931122086,0.016158525400000002,"[12.5505966193, 12.6827081627, 12.814819706, 12.9469312494, 13.0790427928, 13.2111543361, 13.3432658795, 13.4753774228, 13.6074889662, 13.7396005096, 13.8717120529]" +26,TetraBloechl,PseudoPot_36x36x36_POS,VASP,V,"[-8.91993705, -8.92770575, -8.93359202, -8.93768932, -8.94008094, -8.94084777, -8.94006714, -8.937814490000001, -8.93415929, -8.92917078, -8.92291262]",PBE,3.89404155535223,0.00242030268757949,36.0,1.0,0.003385065371187446,-0.003385065371187446,dB,FindHistory,3.8939097395,0.0163562456,"[12.5498427191, 12.6819463267, 12.8140499343, 12.9461535418, 13.0782571494, 13.210360757, 13.3424643645, 13.474567972100001, 13.6066715797, 13.7387751872, 13.8708787948]" +27,TetraBloechl,PseudoPot_70x70x70_POS,VASP,V,"[-8.91991799, -8.92769078, -8.93358502, -8.93768575, -8.94008353, -8.94085334, -8.94007939, -8.93783193, -8.93418348, -8.92919945, -8.92294439]",PBE,3.89404155535223,0.00242030268757949,70.0,1.0,0.07115756246672487,-0.07115756246672487,dB,FindHistory,3.8912706503,0.013516796000000001,"[12.5494062258, 12.6815052387, 12.8136042516, 12.9457032645, 13.0778022774, 13.2099012903, 13.3420003032, 13.4740993161, 13.606198329, 13.738297341900001, 13.8703963548]" +28,TetraBloechl,PseudoPot_58x58x58_POS,VASP,V,"[-8.91992344, -8.92769761, -8.93359177, -8.93769184, -8.94008782, -8.94085703, -8.94008109, -8.93783147, -8.9341785, -8.92919282, -8.92293865]",PBE,3.89404155535223,0.00242030268757949,58.0,1.0,0.25566931698728096,0.25566931698728096,dB,FindHistory,3.9039974248,0.0163797594,"[12.5494959844, 12.6815959421, 12.8136958999, 12.9457958576, 13.0778958153, 13.2099957731, 13.3420957308, 13.4741956885, 13.6062956462, 13.738395604, 13.8704955617]" +29,TetraBloechl,PseudoPot_38x38x38_POS,VASP,V,"[-8.91994314, -8.92771449, -8.93360217, -8.93769956, -8.94008941, -8.940854, -8.94007355, -8.93782038, -8.93416465, -8.92917654, -8.92291814]",PBE,3.89404155535223,0.00242030268757949,38.0,1.0,0.4535762933370159,0.4535762933370159,dB,FindHistory,3.9117040047,0.0136599725,"[12.5498128357, 12.6819161287, 12.8140194217, 12.9461227147, 13.0782260077, 13.2103293007, 13.3424325937, 13.4745358867, 13.6066391797, 13.7387424727, 13.8708457657]" +30,TetraBloechl,PseudoPot_64x64x64_POS,VASP,V,"[-8.91991926, -8.92769224, -8.93358648, -8.93768555, -8.94008415, -8.94085525, -8.94008097, -8.93783349, -8.93418234, -8.92919795, -8.92294481]",PBE,3.89404155535223,0.00242030268757949,64.0,1.0,0.09720161684015922,-0.09720161684015922,dB,FindHistory,3.890256484,0.0164014746,"[12.5494383591, 12.6815377103, 12.8136370614, 12.9457364126, 13.0778357637, 13.2099351149, 13.342034466, 13.4741338172, 13.6062331683, 13.7383325195, 13.870431870600001]" +31,TetraBloechl,PseudoPot_60x60x60_POS,VASP,V,"[-8.91991983, -8.92769315, -8.93358691, -8.93768928, -8.94008389, -8.94085392, -8.94007905, -8.93783071, -8.93417893, -8.92919629, -8.92294028]",PBE,3.89404155535223,0.00242030268757949,60.0,1.0,0.13510754245903805,0.13510754245903805,dB,FindHistory,3.8993026992,0.0146734835,"[12.5494650573, 12.6815646895, 12.8136643217, 12.9457639539, 13.077863586, 13.2099632182, 13.3420628504, 13.4741624826, 13.6062621148, 13.738361747, 13.8704613791]" +32,TetraBloechl,PseudoPot_10x10x10_POS,VASP,V,"[-8.92504468, -8.93288542, -8.93882073, -8.94294131, -8.9453372, -8.94608902, -8.94527832, -8.94304035, -8.9393206, -8.93425596, -8.92790811]",PBE,3.89404155535223,0.00242030268757949,10.0,1.0,1.1756194637755775,-1.1756194637755775,dB,FindHistory,3.8482624449,0.06895572800000001,"[12.5590922968, 12.6912932684, 12.8234942399, 12.9556952115, 13.087896183, 13.2200971546, 13.352298126099999, 13.4844990977, 13.6167000692, 13.7489010407, 13.8811020123]" +0,TetraBloechl,PseudoPot_52x52x52_POS,VASP,V,"[-8.91992916, -8.92769988, -8.93359222, -8.93769037, -8.94008362, -8.94085608, -8.94007958, -8.937828230000001, -8.93417635, -8.92919019, -8.92293539]",PBE,13.2087111148688,1.70361502500603e-05,52.0,1.0,0.00017057280307776276,-0.00017057280307776276,v0,FindHistory,13.2086885844,7.17623e-05,"[12.5495415589, 12.6816419964, 12.8137424338, 12.9458428713, 13.0779433088, 13.2100437462, 13.3421441837, 13.4742446211, 13.6063450586, 13.7384454961, 13.8705459335]" +1,TetraBloechl,PseudoPot_54x54x54_POS,VASP,V,"[-8.91992613, -8.92769819, -8.9335863, -8.93768754, -8.9400817, -8.94085482, -8.94007727, -8.93782709, -8.93417835, -8.92919302, -8.92293882]",PBE,13.2087111148688,1.70361502500603e-05,54.0,1.0,0.0003933414149807821,0.0003933414149807821,v0,FindHistory,13.2087630702,7.15868e-05,"[12.5495441715, 12.6816446365, 12.8137451014, 12.9458455664, 13.0779460313, 13.2100464963, 13.3421469613, 13.4742474262, 13.6063478912, 13.7384483562, 13.8705488211]" +2,TetraBloechl,PseudoPot_4x4x4_POS,VASP,V,"[-9.05019106, -9.05756708, -9.06304541, -9.06672283, -9.06868524, -9.06901959, -9.06780414, -9.06511236, -9.06101745, -9.05559031, -9.04889205]",PBE,13.2087111148688,1.70361502500603e-05,4.0,1.0,1.3902488136188211,-1.3902488136188211,v0,FindHistory,13.025077165299999,4.14274e-05,"[12.4099572165, 12.5405883451, 12.6712194737, 12.8018506023, 12.9324817309, 13.0631128595, 13.1937439881, 13.3243751167, 13.4550062453, 13.585637373800001, 13.7162685024]" +3,TetraBloechl,PseudoPot_68x68x68_POS,VASP,V,"[-8.91991772, -8.9276943, -8.93358501, -8.93768759, -8.94008279, -8.94085569, -8.94007833, -8.93783023, -8.93418145, -8.92919765, -8.922943740000001]",PBE,13.2087111148688,1.70361502500603e-05,68.0,1.0,0.0003460721368109187,-0.0003460721368109187,v0,FindHistory,13.2086654032,6.05074e-05,"[12.5494149543, 12.6815140591, 12.8136131638, 12.9457122686, 13.0778113734, 13.2099104782, 13.342009583, 13.4741086877, 13.6062077925, 13.7383068973, 13.8704060021]" +4,TetraBloechl,PseudoPot_12x12x12_POS,VASP,V,"[-8.92281684, -8.93048959, -8.9364417, -8.94041518, -8.94268026, -8.94332947, -8.94244472, -8.94009599, -8.93635592, -8.93129029, -8.92496035]",PBE,13.2087111148688,1.70361502500603e-05,12.0,1.0,0.1118901688459475,-0.1118901688459475,v0,FindHistory,13.1939318657,0.0007142557,"[12.5449377183, 12.6769896943, 12.809041670300001, 12.9410936462, 13.0731456222, 13.2051975982, 13.3372495742, 13.4693015502, 13.6013535262, 13.7334055021, 13.8654574781]" +5,TetraBloechl,PseudoPot_50x50x50_POS,VASP,V,"[-8.91992741, -8.92769978, -8.93359022, -8.9376908, -8.94008457, -8.94085287, -8.94007457, -8.93782442, -8.93417458, -8.929188270000001, -8.92293363]",PBE,13.2087111148688,1.70361502500603e-05,50.0,1.0,0.0003170700641071101,-0.0003170700641071101,v0,FindHistory,13.208669234,6.38242e-05,"[12.5495918495, 12.6816928164, 12.8137937832, 12.9458947501, 13.0779957169, 13.2100966837, 13.3421976506, 13.4742986174, 13.6063995842, 13.7385005511, 13.8706015179]" +6,TetraBloechl,PseudoPot_8x8x8_POS,VASP,V,"[-8.936719740000001, -8.94432221, -8.95006227, -8.95402731, -8.95630062, -8.95696261, -8.95609379, -8.95305497, -8.94931553, -8.94425167, -8.93792444]",PBE,13.2087111148688,1.70361502500603e-05,8.0,1.0,0.4867416427665466,-0.4867416427665466,v0,FindHistory,13.1444188174,0.0037058978,"[12.5073807483, 12.6390373878, 12.7706940272, 12.9023506667, 13.0340073061, 13.1656639456, 13.2973205851, 13.4289772245, 13.560633864, 13.6922905034, 13.8239471429]" +7,TetraBloechl,PseudoPot_40x40x40_POS,VASP,V,"[-8.91993629, -8.92770375, -8.93359188, -8.93768963, -8.94008096, -8.94084946, -8.94007197, -8.93781998, -8.93416727, -8.92917995, -8.92292519]",PBE,13.2087111148688,1.70361502500603e-05,40.0,1.0,0.0005717267229490555,0.0005717267229490555,v0,FindHistory,13.2087866326,7.14632e-05,"[12.5497740663, 12.6818769512, 12.8139798361, 12.946082721, 13.0781856059, 13.2102884908, 13.3423913757, 13.4744942606, 13.6065971456, 13.7387000305, 13.8708029154]" +8,TetraBloechl,PseudoPot_24x24x24_POS,VASP,V,"[-8.91997936, -8.92773506, -8.93360997, -8.93769599, -8.94008201, -8.94083719, -8.94004537, -8.93778281, -8.93411957, -8.92911974, -8.92284901]",PBE,13.2087111148688,1.70361502500603e-05,24.0,1.0,0.0022928601145543043,-0.0022928601145543043,v0,FindHistory,13.2084082576,8.02384e-05,"[12.5503009697, 12.6824094009, 12.8145178322, 12.9466262635, 13.0787346947, 13.210843126, 13.3429515572, 13.4750599885, 13.6071684198, 13.739276851, 13.8713852823]" +9,TetraBloechl,PseudoPot_28x28x28_POS,VASP,V,"[-8.91994247, -8.92769997, -8.93357909, -8.93766593, -8.94004704, -8.94080717, -8.94002058, -8.93776113, -8.93410239, -8.92911149, -8.92285034]",PBE,13.2087111148688,1.70361502500603e-05,28.0,1.0,0.003133913409117566,-0.003133913409117566,v0,FindHistory,13.2082971653,6.25909e-05,"[12.5500256314, 12.6821311643, 12.8142366973, 12.9463422303, 13.0784477632, 13.2105532962, 13.3426588291, 13.4747643621, 13.606869895100001, 13.738975428, 13.871080961]" +10,TetraBloechl,PseudoPot_22x22x22_POS,VASP,V,"[-8.91993278, -8.92769239, -8.93357798, -8.93766999, -8.94005356, -8.94080981, -8.94002075, -8.93776081, -8.93409856, -8.9291037, -8.92284384]",PBE,13.2087111148688,1.70361502500603e-05,22.0,1.0,0.0020238085977947514,0.0020238085977947514,v0,FindHistory,13.2089784339,9.88589e-05,"[12.5507689641, 12.6828823216, 12.8149956791, 12.9471090366, 13.0792223941, 13.2113357517, 13.3434491092, 13.4755624667, 13.6076758242, 13.7397891817, 13.8719025392]" +11,TetraBloechl,PseudoPot_26x26x26_POS,VASP,V,"[-8.91993697, -8.92770124, -8.93358065, -8.93767435, -8.9400578, -8.94082266, -8.9400373, -8.93778167, -8.93412063, -8.92912647, -8.92286451]",PBE,13.2087111148688,1.70361502500603e-05,26.0,1.0,0.0027122815245533794,0.0027122815245533794,v0,FindHistory,13.2090693723,6.85152e-05,"[12.5505237329, 12.682634509, 12.8147452852, 12.9468560613, 13.0789668375, 13.2110776136, 13.3431883897, 13.4752991659, 13.607409942, 13.7395207181, 13.8716314943]" +12,TetraBloechl,PseudoPot_66x66x66_POS,VASP,V,"[-8.9199191, -8.9276924, -8.93358679, -8.937685590000001, -8.94008396, -8.94085489, -8.94008057, -8.93783134, -8.93418112, -8.92919868, -8.92294263]",PBE,13.2087111148688,1.70361502500603e-05,66.0,1.0,0.0001323795414019047,0.0001323795414019047,v0,FindHistory,13.208728600499999,6.41397e-05,"[12.5494373655, 12.6815367062, 12.8136360469, 12.9457353876, 13.0778347283, 13.209934069, 13.3420334097, 13.4741327504, 13.6062320911, 13.7383314318, 13.8704307724]" +13,TetraBloechl,PseudoPot_30x30x30_POS,VASP,V,"[-8.91995272, -8.92772196, -8.93361012, -8.93770863, -8.94009913, -8.94086496, -8.940083659999999, -8.937828230000001, -8.934172, -8.9291816, -8.92291906]",PBE,13.2087111148688,1.70361502500603e-05,30.0,1.0,0.0024522288994243387,0.0024522288994243387,v0,FindHistory,13.2090350227,6.83607e-05,"[12.5502088087, 12.6823162699, 12.814423731, 12.9465311922, 13.0786386533, 13.2107461144, 13.3428535756, 13.4749610367, 13.6070684979, 13.739175959, 13.8712834202]" +14,TetraBloechl,PseudoPot_62x62x62_POS,VASP,V,"[-8.91991917, -8.92769261, -8.93358593, -8.93768792, -8.94008272, -8.94085258, -8.9400773, -8.93782842, -8.93417658, -8.92919424, -8.92293868]",PBE,13.2087111148688,1.70361502500603e-05,62.0,1.0,0.0003181345131646482,-0.0003181345131646482,v0,FindHistory,13.2086690934,6.49589e-05,"[12.5494647139, 12.6815643425, 12.813663971, 12.9457635996, 13.0778632282, 13.2099628567, 13.3420624853, 13.4741621139, 13.6062617424, 13.738361371, 13.8704609996]" +15,TetraBloechl,PseudoPot_14x14x14_POS,VASP,V,"[-8.92195813, -8.92968957, -8.93553848, -8.93959517, -8.94194722, -8.94267593, -8.94185596, -8.93956234, -8.93586882, -8.93084058, -8.92454445]",PBE,13.2087111148688,1.70361502500603e-05,14.0,1.0,0.020630466857087876,-0.020630466857087876,v0,FindHistory,13.205986096099998,6.93397e-05,"[12.5504499567, 12.6825599562, 12.8146699558, 12.9467799553, 13.0788899549, 13.2109999544, 13.3431099539, 13.4752199535, 13.607329953, 13.7394399526, 13.8715499521]" +16,TetraBloechl,PseudoPot_20x20x20_POS,VASP,V,"[-8.92002169, -8.92777452, -8.93364982, -8.93772778, -8.94009643, -8.94084238, -8.94004235, -8.93777203, -8.93410129, -8.9290995, -8.92283733]",PBE,13.2087111148688,1.70361502500603e-05,20.0,1.0,0.004391356308399772,-0.004391356308399772,v0,FindHistory,13.208131073299999,8.584280000000001e-05,"[12.5509642486, 12.6830796617, 12.8151950749, 12.947310488, 13.0794259011, 13.2115413143, 13.3436567274, 13.4757721406, 13.6078875537, 13.7400029669, 13.87211838]" +17,TetraBloechl,PseudoPot_46x46x46_POS,VASP,V,"[-8.9199342, -8.92770518, -8.93359365, -8.93769195, -8.94008328, -8.9408523, -8.94007266, -8.93781997, -8.93416897, -8.92918241, -8.92292765]",PBE,13.2087111148688,1.70361502500603e-05,46.0,1.0,0.0007746264409145868,-0.0007746264409145868,v0,FindHistory,13.2086087967,6.70754e-05,"[12.5496489912, 12.6817505596, 12.8138521279, 12.9459536962, 13.0780552645, 13.2101568329, 13.3422584012, 13.4743599695, 13.6064615379, 13.7385631062, 13.8706646745]" +18,TetraBloechl,PseudoPot_48x48x48_POS,VASP,V,"[-8.91992687, -8.92769987, -8.933590670000001, -8.93769171, -8.9400865, -8.9408569, -8.94008178, -8.93783277, -8.93418313, -8.92919521, -8.92293772]",PBE,13.2087111148688,1.70361502500603e-05,48.0,1.0,0.0010721502648439758,0.0010721502648439758,v0,FindHistory,13.2088527321,4.92367e-05,"[12.5496072172, 12.6817083458, 12.8138094744, 12.945910603, 13.0780117316, 13.2101128603, 13.3422139889, 13.4743151175, 13.6064162461, 13.7385173747, 13.8706185033]" +19,TetraBloechl,PseudoPot_16x16x16_POS,VASP,V,"[-8.92016147, -8.92791079, -8.93378392, -8.93786932, -8.94025044, -8.94098563, -8.9402029, -8.93794624, -8.93427912, -8.92926863, -8.92299203]",PBE,13.2087111148688,1.70361502500603e-05,16.0,1.0,0.0033639666076188466,0.0033639666076188466,v0,FindHistory,13.209155451500001,0.0001251484,"[12.5512120308, 12.6833300522, 12.8154480735, 12.9475660949, 13.0796841163, 13.2118021377, 13.3439201591, 13.4760381804, 13.6081562018, 13.7402742232, 13.8723922446]" +20,TetraBloechl,PseudoPot_56x56x56_POS,VASP,V,"[-8.91992114, -8.92769295, -8.93358451, -8.93768663, -8.94008259, -8.94085346, -8.94007615, -8.93783012, -8.9341785, -8.92919342, -8.92293941]",PBE,13.2087111148688,1.70361502500603e-05,56.0,1.0,0.0003417565181681284,0.0003417565181681284,v0,FindHistory,13.208756256500001,7.05749e-05,"[12.5494993959, 12.6815993895, 12.8136993832, 12.9457993768, 13.0778993705, 13.2099993641, 13.3420993577, 13.4741993514, 13.606299345, 13.7383993387, 13.8704993323]" +21,TetraBloechl,PseudoPot_44x44x44_POS,VASP,V,"[-8.91992999, -8.927701710000001, -8.9335915, -8.93769094, -8.94008316, -8.94085219, -8.94007542, -8.93782409, -8.93417244, -8.92918743, -8.92292859]",PBE,13.2087111148688,1.70361502500603e-05,44.0,1.0,0.00027647535691080927,0.00027647535691080927,v0,FindHistory,13.208747633699998,5.23028e-05,"[12.5496671189, 12.681768878, 12.8138706372, 12.9459723963, 13.0780741555, 13.2101759146, 13.3422776738, 13.4743794329, 13.606481192, 13.7385829512, 13.8706847103]" +22,TetraBloechl,PseudoPot_32x32x32_POS,VASP,V,"[-8.91994848, -8.92771242, -8.93359333, -8.9376841, -8.94006852, -8.94083216, -8.94004969, -8.93779545, -8.93413907, -8.92914962, -8.92289176]",PBE,13.2087111148688,1.70361502500603e-05,32.0,1.0,0.0014873886414174726,-0.0014873886414174726,v0,FindHistory,13.20851465,5.01849e-05,"[12.549930428, 12.6820349588, 12.8141394896, 12.9462440205, 13.0783485513, 13.2104530821, 13.3425576129, 13.4746621437, 13.6067666746, 13.7388712054, 13.8709757362]" +23,TetraBloechl,PseudoPot_42x42x42_POS,VASP,V,"[-8.91994265, -8.92771238, -8.93360165, -8.93769732, -8.94008872, -8.94085568, -8.94007471, -8.93782304, -8.93417091, -8.9291823, -8.92292486]",PBE,13.2087111148688,1.70361502500603e-05,42.0,1.0,0.0006465995664348174,-0.0006465995664348174,v0,FindHistory,13.2086257074,5.45234e-05,"[12.5497327527, 12.6818352027, 12.8139376528, 12.9460401028, 13.0781425528, 13.2102450028, 13.3423474529, 13.4744499029, 13.6065523529, 13.738654803, 13.870757253]" +24,TetraBloechl,PseudoPot_34x34x34_POS,VASP,V,"[-8.91995405, -8.92772162, -8.93360593, -8.93770039, -8.94008891, -8.9408533, -8.9400702, -8.93781622, -8.93415956, -8.92916814, -8.92290842]",PBE,13.2087111148688,1.70361502500603e-05,34.0,1.0,1.941664086258906e-06,-1.941664086258906e-06,v0,FindHistory,13.2087108584,5.93484e-05,"[12.5500211996, 12.6821266859, 12.8142321722, 12.9463376585, 13.0784431448, 13.2105486312, 13.3426541175, 13.4747596038, 13.6068650901, 13.7389705764, 13.8710760627]" +25,TetraBloechl,PseudoPot_18x18x18_POS,VASP,V,"[-8.92041349, -8.92816198, -8.93402815, -8.93810563, -8.94047148, -8.94121716, -8.94041287, -8.93813628, -8.93445497, -8.92944104, -8.92315613]",PBE,13.2087111148688,1.70361502500603e-05,18.0,1.0,0.008945524347700507,-0.008945524347700507,v0,FindHistory,13.207529526400002,6.874109999999999e-05,"[12.5505966193, 12.6827081627, 12.814819706, 12.9469312494, 13.0790427928, 13.2111543361, 13.3432658795, 13.4753774228, 13.6074889662, 13.7396005096, 13.8717120529]" +26,TetraBloechl,PseudoPot_36x36x36_POS,VASP,V,"[-8.91993705, -8.92770575, -8.93359202, -8.93768932, -8.94008094, -8.94084777, -8.94006714, -8.937814490000001, -8.93415929, -8.92917078, -8.92291262]",PBE,13.2087111148688,1.70361502500603e-05,36.0,1.0,0.00015913839751122337,0.00015913839751122337,v0,FindHistory,13.208732135,6.956160000000001e-05,"[12.5498427191, 12.6819463267, 12.8140499343, 12.9461535418, 13.0782571494, 13.210360757, 13.3424643645, 13.474567972100001, 13.6066715797, 13.7387751872, 13.8708787948]" +27,TetraBloechl,PseudoPot_70x70x70_POS,VASP,V,"[-8.91991799, -8.92769078, -8.93358502, -8.93768575, -8.94008353, -8.94085334, -8.94007939, -8.93783193, -8.93418348, -8.92919945, -8.92294439]",PBE,13.2087111148688,1.70361502500603e-05,70.0,1.0,0.0001328330300192461,0.0001328330300192461,v0,FindHistory,13.2087286604,5.748620000000001e-05,"[12.5494062258, 12.6815052387, 12.8136042516, 12.9457032645, 13.0778022774, 13.2099012903, 13.3420003032, 13.4740993161, 13.606198329, 13.738297341900001, 13.8703963548]" +28,TetraBloechl,PseudoPot_58x58x58_POS,VASP,V,"[-8.91992344, -8.92769761, -8.93359177, -8.93769184, -8.94008782, -8.94085703, -8.94008109, -8.93783147, -8.9341785, -8.92919282, -8.92293865]",PBE,13.2087111148688,1.70361502500603e-05,58.0,1.0,0.0005012924290988813,-0.0005012924290988813,v0,FindHistory,13.2086449006,6.966350000000001e-05,"[12.5494959844, 12.6815959421, 12.8136958999, 12.9457958576, 13.0778958153, 13.2099957731, 13.3420957308, 13.4741956885, 13.6062956462, 13.738395604, 13.8704955617]" +29,TetraBloechl,PseudoPot_38x38x38_POS,VASP,V,"[-8.91994314, -8.92771449, -8.93360217, -8.93769956, -8.94008941, -8.940854, -8.94007355, -8.93782038, -8.93416465, -8.92917654, -8.92291814]",PBE,13.2087111148688,1.70361502500603e-05,38.0,1.0,0.0008511963644461774,-0.0008511963644461774,v0,FindHistory,13.2085986828,5.80951e-05,"[12.5498128357, 12.6819161287, 12.8140194217, 12.9461227147, 13.0782260077, 13.2103293007, 13.3424325937, 13.4745358867, 13.6066391797, 13.7387424727, 13.8708457657]" +30,TetraBloechl,PseudoPot_60x60x60_POS,VASP,V,"[-8.91991983, -8.92769315, -8.93358691, -8.93768928, -8.94008389, -8.94085392, -8.94007905, -8.93783071, -8.93417893, -8.92919629, -8.92294028]",PBE,13.2087111148688,1.70361502500603e-05,60.0,1.0,0.00012701972700624999,-0.00012701972700624999,v0,FindHistory,13.2086943372,6.240649999999999e-05,"[12.5494650573, 12.6815646895, 12.8136643217, 12.9457639539, 13.077863586, 13.2099632182, 13.3420628504, 13.4741624826, 13.6062621148, 13.738361747, 13.8704613791]" +31,TetraBloechl,PseudoPot_64x64x64_POS,VASP,V,"[-8.91991926, -8.92769224, -8.93358648, -8.93768555, -8.94008415, -8.94085525, -8.94008097, -8.93783349, -8.93418234, -8.92919795, -8.92294481]",PBE,13.2087111148688,1.70361502500603e-05,64.0,1.0,0.00030019530941935945,0.00030019530941935945,v0,FindHistory,13.208750766800001,6.975529999999999e-05,"[12.5494383591, 12.6815377103, 12.8136370614, 12.9457364126, 13.0778357637, 13.2099351149, 13.342034466, 13.4741338172, 13.6062331683, 13.7383325195, 13.870431870600001]" +32,TetraBloechl,PseudoPot_10x10x10_POS,VASP,V,"[-8.92504468, -8.93288542, -8.93882073, -8.94294131, -8.9453372, -8.94608902, -8.94527832, -8.94304035, -8.9393206, -8.93425596, -8.92790811]",PBE,13.2087111148688,1.70361502500603e-05,10.0,1.0,0.06666617018589399,0.06666617018589399,v0,FindHistory,13.217516856700001,0.0002935363,"[12.5590922968, 12.6912932684, 12.8234942399, 12.9556952115, 13.087896183, 13.2200971546, 13.352298126099999, 13.4844990977, 13.6167000692, 13.7489010407, 13.8811020123]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,38.591289295925705,0.010919696432753999,64.0,1.0,0.06618743125795121,0.06618743125795121,B,bcc,38.616831879,0.0043498865000000005,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,38.591289295925705,0.010919696432753999,62.0,1.0,0.057217982288629905,0.057217982288629905,B,bcc,38.613370453,0.0039403231,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,38.591289295925705,0.010919696432753999,68.0,1.0,0.04715660219265829,0.04715660219265829,B,bcc,38.6094876367,0.0047811864,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,38.591289295925705,0.010919696432753999,64.0,1.0,0.06618743125795121,0.06618743125795121,B,bcc,38.616831879,0.0043498865000000005,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,38.591289295925705,0.010919696432753999,62.0,1.0,0.057217982288629905,0.057217982288629905,B,bcc,38.613370453,0.0039403231,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,38.591289295925705,0.010919696432753999,68.0,1.0,0.04715660219265829,0.04715660219265829,B,bcc,38.6094876367,0.0047811864,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,-6.30810540402912,1.85729791244039e-06,64.0,1.0,-7.056272200269783e-05,7.056272200269783e-05,E0,bcc,-6.3081098552,5.889e-07,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,-6.30810540402912,1.85729791244039e-06,62.0,1.0,-6.201815965350675e-05,6.201815965350675e-05,E0,bcc,-6.3081093162,5.337e-07,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,-6.30810540402912,1.85729791244039e-06,68.0,1.0,-5.0962542232686646e-05,5.0962542232686646e-05,E0,bcc,-6.3081086188,6.492000000000001e-07,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,-6.30810540402912,1.85729791244039e-06,64.0,1.0,-7.056272200269783e-05,7.056272200269783e-05,E0,bcc,-6.3081098552,5.889e-07,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,-6.30810540402912,1.85729791244039e-06,62.0,1.0,-6.201815965350675e-05,6.201815965350675e-05,E0,bcc,-6.3081093162,5.337e-07,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,-6.30810540402912,1.85729791244039e-06,68.0,1.0,-5.0962542232686646e-05,5.0962542232686646e-05,E0,bcc,-6.3081086188,6.492000000000001e-07,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,3.02543836518372,0.0273774692860941,64.0,1.0,2.026510461732612,-2.026510461732612,dB,bcc,2.9641275402,0.0123560364,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,3.02543836518372,0.0273774692860941,62.0,1.0,2.699289951615346,-2.699289951615346,dB,bcc,2.9437730114000003,0.0112058445,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,3.02543836518372,0.0273774692860941,68.0,1.0,1.9409689141082165,-1.9409689141082165,dB,bcc,2.966715547,0.0136382424,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,3.02543836518372,0.0273774692860941,64.0,1.0,2.026510461732612,-2.026510461732612,dB,bcc,2.9641275402,0.0123560364,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,3.02543836518372,0.0273774692860941,62.0,1.0,2.699289951615346,-2.699289951615346,dB,bcc,2.9437730114000003,0.0112058445,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,3.02543836518372,0.0273774692860941,68.0,1.0,1.9409689141082165,-1.9409689141082165,dB,bcc,2.966715547,0.0136382424,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +0,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,32.8847120704555,0.000366635460663781,64.0,1.0,0.0019147670904157677,0.0019147670904157677,v0,bcc,32.8853417361,0.0001307961,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +1,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,32.8847120704555,0.000366635460663781,62.0,1.0,0.0027185256863079634,0.0027185256863079634,v0,bcc,32.8856060498,0.0001186197,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +2,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,32.8847120704555,0.000366635460663781,68.0,1.0,0.001911306515789632,0.001911306515789632,v0,bcc,32.8853405981,0.0001444358,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +3,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29742638, -6.30135214, -6.30434857, -6.30645088, -6.30769382, -6.3081111100000005, -6.30773399, -6.30659424, -6.3047217, -6.30214487, -6.29889083]",PBE,32.8847120704555,0.000366635460663781,64.0,1.0,0.0019147670904157677,0.0019147670904157677,v0,bcc,32.8853417361,0.0001307961,"[31.2351632015, 31.5639543931, 31.8927455847, 32.2215367763, 32.5503279679, 32.8791191595, 33.2079103511, 33.5367015427, 33.8654927343, 34.1942839259, 34.5230751175]" +4,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29744495, -6.30136604, -6.30435785, -6.30645642, -6.30769588, -6.30811026, -6.30773111, -6.30658846, -6.30471275, -6.30213238, -6.29887492]",PBE,32.8847120704555,0.000366635460663781,62.0,1.0,0.0027185256863079634,0.0027185256863079634,v0,bcc,32.8856060498,0.0001186197,"[31.2365084555, 31.5653138077, 31.8941191599, 32.222924512, 32.5517298642, 32.8805352164, 33.2093405685, 33.5381459207, 33.8669512729, 34.195756625, 34.5245619772]" +5,TetraBloechl,PseudoPot_1_POT,VASP,Y,"[-6.29750878, -6.30141691, -6.30439616, -6.30648174, -6.30770846, -6.30810995, -6.30771798, -6.30656311, -6.30467556, -6.30208501, -6.29881786]",PBE,32.8847120704555,0.000366635460663781,68.0,1.0,0.001911306515789632,0.001911306515789632,v0,bcc,32.8853405981,0.0001444358,"[31.2412954534, 31.570151195, 31.8990069366, 32.2278626782, 32.5567184198, 32.8855741614, 33.214429903, 33.5432856447, 33.8721413863, 34.2009971279, 34.5298528695]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,39.2275451743949,0.012414609376799,68.0,1.0,0.038785600621862655,0.038785600621862655,B,fcc,39.2427598134,0.0013457889000000002,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,39.2275451743949,0.012414609376799,60.0,1.0,0.08286577291694078,0.08286577291694078,B,fcc,39.2600513829,0.003511398,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,39.2275451743949,0.012414609376799,70.0,1.0,0.020599953856861072,0.020599953856861072,B,fcc,39.2356260306,0.0013071717999999998,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,39.2275451743949,0.012414609376799,62.0,1.0,0.05243437210678112,0.05243437210678112,B,fcc,39.248113891399996,0.00386687,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,39.2275451743949,0.012414609376799,56.0,1.0,0.006495989447136495,-0.006495989447136495,B,fcc,39.2249969572,0.0042194691000000005,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,39.2275451743949,0.012414609376799,68.0,1.0,0.038785600621862655,0.038785600621862655,B,fcc,39.2427598134,0.0013457889000000002,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,39.2275451743949,0.012414609376799,60.0,1.0,0.08286577291694078,0.08286577291694078,B,fcc,39.2600513829,0.003511398,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,39.2275451743949,0.012414609376799,70.0,1.0,0.020599953856861072,0.020599953856861072,B,fcc,39.2356260306,0.0013071717999999998,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,39.2275451743949,0.012414609376799,62.0,1.0,0.05243437210678112,0.05243437210678112,B,fcc,39.248113891399996,0.00386687,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,39.2275451743949,0.012414609376799,56.0,1.0,0.006495989447136495,-0.006495989447136495,B,fcc,39.2249969572,0.0042194691000000005,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,-6.40728552653754,1.87550059287386e-06,68.0,1.0,-4.3882271976676726e-05,4.3882271976676726e-05,E0,fcc,-6.407288338200001,1.791e-07,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,-6.40728552653754,1.87550059287386e-06,60.0,1.0,-8.506663919293518e-05,8.506663919293518e-05,E0,fcc,-6.407290977000001,4.667e-07,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,-6.40728552653754,1.87550059287386e-06,70.0,1.0,-3.6476639761546603e-05,3.6476639761546603e-05,E0,fcc,-6.4072878637,1.7180000000000002e-07,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,-6.40728552653754,1.87550059287386e-06,62.0,1.0,-8.559104221958662e-05,8.559104221958662e-05,E0,fcc,-6.4072910106,5.139000000000001e-07,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,-6.40728552653754,1.87550059287386e-06,56.0,1.0,-2.386599526933371e-05,2.386599526933371e-05,E0,fcc,-6.4072870557,5.615999999999999e-07,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,-6.40728552653754,1.87550059287386e-06,68.0,1.0,-4.3882271976676726e-05,4.3882271976676726e-05,E0,fcc,-6.407288338200001,1.791e-07,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,-6.40728552653754,1.87550059287386e-06,60.0,1.0,-8.506663919293518e-05,8.506663919293518e-05,E0,fcc,-6.407290977000001,4.667e-07,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,-6.40728552653754,1.87550059287386e-06,70.0,1.0,-3.6476639761546603e-05,3.6476639761546603e-05,E0,fcc,-6.4072878637,1.7180000000000002e-07,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,-6.40728552653754,1.87550059287386e-06,62.0,1.0,-8.559104221958662e-05,8.559104221958662e-05,E0,fcc,-6.4072910106,5.139000000000001e-07,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,-6.40728552653754,1.87550059287386e-06,56.0,1.0,-2.386599526933371e-05,2.386599526933371e-05,E0,fcc,-6.4072870557,5.615999999999999e-07,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,3.2486911772056604,0.0180861322843173,68.0,1.0,0.023677929470717046,-0.023677929470717046,dB,fcc,3.2479219544,0.0037623863,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,3.2486911772056604,0.0180861322843173,60.0,1.0,1.0939962177700757,-1.0939962177700757,dB,fcc,3.2131506186000003,0.009798294,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,3.2486911772056604,0.0180861322843173,70.0,1.0,0.44326107715927654,-0.44326107715927654,dB,fcc,3.2342909937,0.0035992354,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,3.2486911772056604,0.0180861322843173,62.0,1.0,0.06331350976331658,-0.06331350976331658,dB,fcc,3.2466343168000003,0.0107926527,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,3.2486911772056604,0.0180861322843173,56.0,1.0,1.0035892280073215,-1.0035892280073215,dB,fcc,3.2160876625,0.0118075426,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,3.2486911772056604,0.0180861322843173,68.0,1.0,0.023677929470717046,-0.023677929470717046,dB,fcc,3.2479219544,0.0037623863,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,3.2486911772056604,0.0180861322843173,60.0,1.0,1.0939962177700757,-1.0939962177700757,dB,fcc,3.2131506186000003,0.009798294,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,3.2486911772056604,0.0180861322843173,70.0,1.0,0.44326107715927654,-0.44326107715927654,dB,fcc,3.2342909937,0.0035992354,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,3.2486911772056604,0.0180861322843173,62.0,1.0,0.06331350976331658,-0.06331350976331658,dB,fcc,3.2466343168000003,0.0107926527,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,3.2486911772056604,0.0180861322843173,56.0,1.0,1.0035892280073215,-1.0035892280073215,dB,fcc,3.2160876625,0.0118075426,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,32.3119741633814,0.000241926695578546,68.0,1.0,0.0005730717054411405,-0.0005730717054411405,v0,fcc,32.3117889926,3.9135e-05,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,32.3119741633814,0.000241926695578546,60.0,1.0,0.0011086126053123859,0.0011086126053123859,v0,fcc,32.312332378,0.0001019024,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,32.3119741633814,0.000241926695578546,70.0,1.0,1.0336473353740284e-05,1.0336473353740284e-05,v0,fcc,32.3119775033,3.73579e-05,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,32.3119741633814,0.000241926695578546,62.0,1.0,0.0004398375063143063,-0.0004398375063143063,v0,fcc,32.3118320432,0.0001122379,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +4,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,32.3119741633814,0.000241926695578546,56.0,1.0,0.00045346650953204625,-0.00045346650953204625,v0,fcc,32.3118276394,0.00012283040000000002,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +5,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39660525, -6.40054547, -6.40354531, -6.40564405, -6.40687929, -6.40728777, -6.40690576, -6.4057645, -6.40389504, -6.40132698, -6.39808948]",PBE,32.3119741633814,0.000241926695578546,68.0,1.0,0.0005730717054411405,-0.0005730717054411405,v0,fcc,32.3117889926,3.9135e-05,"[30.6931940615, 31.0162803148, 31.339366568, 31.6624528213, 31.9855390746, 32.3086253279, 32.6317115812, 32.9547978344, 33.2778840877, 33.600970341, 33.9240565943]" +6,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657271, -6.40051796, -6.40352481, -6.40563138, -6.40687547, -6.40729113, -6.40691523, -6.40577993, -6.40391441, -6.40135041, -6.39811706]",PBE,32.3119741633814,0.000241926695578546,60.0,1.0,0.0011086126053123859,0.0011086126053123859,v0,fcc,32.312332378,0.0001019024,"[30.6909741936, 31.0140370799, 31.3370999661, 31.6601628524, 31.9832257386, 32.3062886249, 32.6293515111, 32.9524143974, 33.2754772836, 33.5985401698, 33.9216030561]" +7,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39633377, -6.4003299, -6.40338378, -6.40553563, -6.40682439, -6.40728611, -6.4069546299999995, -6.4058621, -6.40404164, -6.40152214, -6.39833063]",PBE,32.3119741633814,0.000241926695578546,70.0,1.0,1.0336473353740284e-05,1.0336473353740284e-05,v0,fcc,32.3119775033,3.73579e-05,"[30.6734033589, 30.996281289, 31.319159219, 31.6420371491, 31.9649150792, 32.2877930093, 32.6106709394, 32.9335488695, 33.2564267996, 33.5793047297, 33.9021826598]" +8,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39657261, -6.40051944, -6.40352598, -6.40563235, -6.40687603, -6.4072921, -6.40691528, -6.40577851, -6.40391542, -6.4013531, -6.39812243]",PBE,32.3119741633814,0.000241926695578546,62.0,1.0,0.0004398375063143063,-0.0004398375063143063,v0,fcc,32.3118320432,0.0001122379,"[30.6906989342, 31.013758923, 31.336818911800002, 31.6598789006, 31.9829388893, 32.3059988781, 32.6290588669, 32.9521188557, 33.2751788445, 33.5982388332, 33.921298822]" +9,TetraBloechl,PseudoPot_2_POT,VASP,Y,"[-6.39661495, -6.4005531, -6.40354938, -6.40564341, -6.40687692, -6.40728594, -6.40690458, -6.40576409, -6.40389398, -6.40132456, -6.39808607]",PBE,32.3119741633814,0.000241926695578546,56.0,1.0,0.00045346650953204625,-0.00045346650953204625,v0,fcc,32.3118276394,0.00012283040000000002,"[30.6933404976, 31.0164282923, 31.339516087, 31.6626038817, 31.9856916764, 32.3087794711, 32.6318672659, 32.9549550606, 33.2780428553, 33.60113065, 33.9242184447]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,41.1659613407043,0.06115748109054,44.0,1.0,0.031401821492055025,0.031401821492055025,B,hcp,41.178888202399996,0.0075146872,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,41.1659613407043,0.06115748109054,26.0,1.0,0.016232282902358636,-0.016232282902358636,B,hcp,41.1592791654,0.0062848659000000005,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,41.1659613407043,0.06115748109054,38.0,1.0,0.026751709026188182,0.026751709026188182,B,hcp,41.1769739389,0.0067697808,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,41.1659613407043,0.06115748109054,48.0,1.0,0.009135552707186058,0.009135552707186058,B,hcp,41.1697220788,0.0057689279,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",PBE,41.1659613407043,0.06115748109054,12.0,1.0,0.0645524256906589,-0.0645524256906589,B,hcp,41.139387714099996,0.0018924585,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,41.1659613407043,0.06115748109054,42.0,1.0,0.024387909497864523,0.024387909497864523,B,hcp,41.1760008581,0.0079719591,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,41.1659613407043,0.06115748109054,40.0,1.0,0.019554626282318553,0.019554626282318553,B,hcp,41.1740111906,0.006992163500000001,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",PBE,41.1659613407043,0.06115748109054,20.0,1.0,81.07714771449734,81.07714771449734,B,hcp,74.542148625,27.281131236100002,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,41.1659613407043,0.06115748109054,46.0,1.0,0.003030605517453004,0.003030605517453004,B,hcp,41.167208918600004,0.0052578283000000005,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",PBE,41.1659613407043,0.06115748109054,16.0,1.0,0.01843323915479611,-0.01843323915479611,B,hcp,41.1583731206,0.0037579165,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845809, -12.853731, -12.859678, -12.863728, -12.865953, -12.866427999999999, -12.865223, -12.862406, -12.858043, -12.852197, -12.84493]",PBE,41.1659613407043,0.06115748109054,32.0,1.0,0.0650860789426172,0.0650860789426172,B,hcp,41.1927546508,0.0069521825,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845825, -12.853743, -12.859682, -12.863725, -12.865944, -12.866414, -12.865205, -12.862386, -12.858023, -12.852179, -12.844914]",PBE,41.1659613407043,0.06115748109054,28.0,1.0,0.005266742291658195,0.005266742291658195,B,hcp,41.1681294458,0.0057497588,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845807, -12.853724, -12.859668, -12.863714, -12.865937, -12.86641, -12.865203, -12.862385, -12.858021, -12.852175, -12.84491]",PBE,41.1659613407043,0.06115748109054,30.0,1.0,0.03550579877080557,0.03550579877080557,B,hcp,41.1805776441,0.0075820481000000006,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,41.1659613407043,0.06115748109054,44.0,1.0,0.031401821492055025,0.031401821492055025,B,hcp,41.178888202399996,0.0075146872,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,41.1659613407043,0.06115748109054,26.0,1.0,0.016232282902358636,-0.016232282902358636,B,hcp,41.1592791654,0.0062848659000000005,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",PBE,41.1659613407043,0.06115748109054,10.0,1.0,0.41254003954908036,0.41254003954908036,B,hcp,41.3357874139,0.023547129500000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",PBE,41.1659613407043,0.06115748109054,14.0,1.0,0.025887390108788867,-0.025887390108788867,B,hcp,41.1553045477,0.0101977843,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84582, -12.853743, -12.859687, -12.863731, -12.865950999999999, -12.866421, -12.865212, -12.862393, -12.85803, -12.852184, -12.844917]",PBE,41.1659613407043,0.06115748109054,36.0,1.0,0.04467923715779889,0.04467923715779889,B,hcp,41.1843539782,0.0047538951,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845789, -12.853709, -12.859653, -12.863697, -12.865922, -12.866395, -12.170719, -12.861578, -12.858016, -12.841825, -12.844486]",PBE,41.1659613407043,0.06115748109054,26.0,1.0,1147.7194033893074,-1147.7194033893074,B,hcp,-431.30376455830003,615.9460312141999,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",PBE,41.1659613407043,0.06115748109054,12.0,1.0,7555177.216082141,-7555177.216082141,B,hcp,-3110120.166032733,8618300.920955028,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",PBE,41.1659613407043,0.06115748109054,22.0,1.0,0.04433903302933232,0.04433903302933232,B,hcp,41.1842139299,0.005691425700000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",PBE,41.1659613407043,0.06115748109054,4.0,1.0,4.013208938159176,-4.013208938159176,B,hcp,39.513885300700004,0.1107364368,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",PBE,41.1659613407043,0.06115748109054,24.0,1.0,0.07527060849922358,0.07527060849922358,B,hcp,41.1969472103,0.005308934499999999,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,41.1659613407043,0.06115748109054,42.0,1.0,0.024387909497864523,0.024387909497864523,B,hcp,41.1760008581,0.0079719591,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",PBE,41.1659613407043,0.06115748109054,18.0,1.0,0.15981766282874824,0.15981766282874824,B,hcp,41.231751818,0.0103354436,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",PBE,41.1659613407043,0.06115748109054,6.0,1.0,12.808716875954513,12.808716875954513,B,hcp,46.4387927781,3.1883175033999995,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",PBE,41.1659613407043,0.06115748109054,10.0,1.0,9695.956841986665,-9695.956841986665,B,hcp,-3950.2678838428997,6488.6597207872,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",PBE,41.1659613407043,0.06115748109054,8.0,1.0,1.169218998484509,-1.169218998484509,B,hcp,40.6846410998,0.012880861499999998,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",PBE,41.1659613407043,0.06115748109054,6.0,1.0,0.005061967285192032,0.005061967285192032,B,hcp,41.1680451482,0.0131567475,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,41.1659613407043,0.06115748109054,40.0,1.0,0.019554626282318553,0.019554626282318553,B,hcp,41.1740111906,0.006992163500000001,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",PBE,41.1659613407043,0.06115748109054,22.0,1.0,1620.7991074455024,1620.7991074455024,B,hcp,708.3834953222,5056.7537644819,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",PBE,41.1659613407043,0.06115748109054,8.0,1.0,11.951930769412995,-11.951930769412995,B,hcp,36.245834140700005,0.4791297833,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",PBE,41.1659613407043,0.06115748109054,16.0,1.0,1872377.9802948385,-1872377.9802948385,B,hcp,-770741.2295586925,2765343.5085773426,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",PBE,41.1659613407043,0.06115748109054,4.0,1.0,2.488834374411258,-2.488834374411258,B,hcp,40.1414087443,0.016052681200000002,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84581, -12.85373, -12.859674, -12.863718, -12.865939000000001, -12.866412, -12.865206, -12.862391, -12.858032, -12.85219, -12.844926]",PBE,41.1659613407043,0.06115748109054,34.0,1.0,0.0018778866790014066,-0.0018778866790014066,B,hcp,41.1651882906,0.0043792159,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",PBE,41.1659613407043,0.06115748109054,20.0,1.0,0.011785220939084943,0.011785220939084943,B,hcp,41.1708128402,0.0048914181,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,41.1659613407043,0.06115748109054,38.0,1.0,0.026751709026188182,0.026751709026188182,B,hcp,41.1769739389,0.0067697808,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,41.1659613407043,0.06115748109054,48.0,1.0,0.009135552707186058,0.009135552707186058,B,hcp,41.1697220788,0.0057689279,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,41.1659613407043,0.06115748109054,46.0,1.0,0.003030605517453004,0.003030605517453004,B,hcp,41.167208918600004,0.0052578283000000005,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,-12.8664586704876,1.06553821290621e-05,44.0,1.0,-4.05947940551642e-05,4.05947940551642e-05,E0,hcp,-12.866463893599999,2.0296e-06,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,-12.8664586704876,1.06553821290621e-05,26.0,1.0,-0.0001560335140663389,-0.0001560335140663389,E0,hcp,-12.8664385945,1.6996e-06,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,-12.8664586704876,1.06553821290621e-05,38.0,1.0,-1.1792581310117321e-05,-1.1792581310117321e-05,E0,hcp,-12.866457153199999,1.829e-06,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,-12.8664586704876,1.06553821290621e-05,48.0,1.0,-3.6674893079765914e-07,-3.6674893079765914e-07,E0,hcp,-12.8664586233,1.5573e-06,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",PBE,-12.8664586704876,1.06553821290621e-05,12.0,1.0,-0.0009292247032707363,0.0009292247032707363,E0,hcp,-12.866578228800002,5.16e-07,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,-12.8664586704876,1.06553821290621e-05,42.0,1.0,-1.3198068321243888e-06,1.3198068321243888e-06,E0,hcp,-12.8664588403,2.1521e-06,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,-12.8664586704876,1.06553821290621e-05,40.0,1.0,-9.155684797851091e-06,9.155684797851091e-06,E0,hcp,-12.8664598485,1.8884e-06,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",PBE,-12.8664586704876,1.06553821290621e-05,20.0,1.0,-0.0075871629684457695,-0.0075871629684457695,E0,hcp,-12.865482471300002,0.0030756327000000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,-12.8664586704876,1.06553821290621e-05,46.0,1.0,-4.351528371036551e-06,-4.351528371036551e-06,E0,hcp,-12.8664581106,1.4203e-06,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",PBE,-12.8664586704876,1.06553821290621e-05,16.0,1.0,-0.00027880408525164527,0.00027880408525164527,E0,hcp,-12.8664945427,1.024e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845809, -12.853731, -12.859678, -12.863728, -12.865953, -12.866427999999999, -12.865223, -12.862406, -12.858043, -12.852197, -12.84493]",PBE,-12.8664586704876,1.06553821290621e-05,32.0,1.0,-5.983474240239108e-05,5.983474240239108e-05,E0,hcp,-12.866466369100001,1.8943e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845825, -12.853743, -12.859682, -12.863725, -12.865944, -12.866414, -12.865205, -12.862386, -12.858023, -12.852179, -12.844914]",PBE,-12.8664586704876,1.06553821290621e-05,28.0,1.0,-3.890571390110256e-05,-3.890571390110256e-05,E0,hcp,-12.8664536647,1.5663e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845807, -12.853724, -12.859668, -12.863714, -12.865937, -12.86641, -12.865203, -12.862385, -12.858021, -12.852175, -12.84491]",PBE,-12.8664586704876,1.06553821290621e-05,30.0,1.0,-8.020456805345493e-05,-8.020456805345493e-05,E0,hcp,-12.866448350999999,2.0657e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,-12.8664586704876,1.06553821290621e-05,44.0,1.0,-4.05947940551642e-05,4.05947940551642e-05,E0,hcp,-12.866463893599999,2.0296e-06,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,-12.8664586704876,1.06553821290621e-05,26.0,1.0,-0.0001560335140663389,-0.0001560335140663389,E0,hcp,-12.8664385945,1.6996e-06,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",PBE,-12.8664586704876,1.06553821290621e-05,10.0,1.0,-0.0005062005736655665,-0.0005062005736655665,E0,hcp,-12.866393540399999,6.4142e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",PBE,-12.8664586704876,1.06553821290621e-05,14.0,1.0,-0.000248837797728309,0.000248837797728309,E0,hcp,-12.8664906871,2.7794e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84582, -12.853743, -12.859687, -12.863731, -12.865950999999999, -12.866421, -12.865212, -12.862393, -12.85803, -12.852184, -12.844917]",PBE,-12.8664586704876,1.06553821290621e-05,36.0,1.0,-2.095846627950177e-05,2.095846627950177e-05,E0,hcp,-12.866461367100001,1.295e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845789, -12.853709, -12.859653, -12.863697, -12.865922, -12.866395, -12.170719, -12.861578, -12.858016, -12.841825, -12.844486]",PBE,-12.8664586704876,1.06553821290621e-05,26.0,1.0,-1.1775278409366503,-1.1775278409366503,E0,hcp,-12.7149525375,0.1100758985,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",PBE,-12.8664586704876,1.06553821290621e-05,12.0,1.0,-3280.8926637347213,-3280.8926637347213,E0,hcp,409.268239932,293.1726942489,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",PBE,-12.8664586704876,1.06553821290621e-05,22.0,1.0,-8.089153550190935e-06,-8.089153550190935e-06,E0,hcp,-12.866457629700001,1.5505e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",PBE,-12.8664586704876,1.06553821290621e-05,4.0,1.0,-0.2955118790752552,-0.2955118790752552,E0,hcp,-12.8284367567,2.34006e-05,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",PBE,-12.8664586704876,1.06553821290621e-05,24.0,1.0,-0.00031786300681544327,0.00031786300681544327,E0,hcp,-12.8664995682,1.4458000000000004e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,-12.8664586704876,1.06553821290621e-05,42.0,1.0,-1.3198068321243888e-06,1.3198068321243888e-06,E0,hcp,-12.8664588403,2.1521e-06,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",PBE,-12.8664586704876,1.06553821290621e-05,18.0,1.0,-4.4892598245222326e-05,-4.4892598245222326e-05,E0,hcp,-12.8664528944,2.8158e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",PBE,-12.8664586704876,1.06553821290621e-05,6.0,1.0,-0.03565193659790237,-0.03565193659790237,E0,hcp,-12.861871528800002,0.0007929278000000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",PBE,-12.8664586704876,1.06553821290621e-05,10.0,1.0,-7.8004695634682,-7.8004695634682,E0,hcp,-11.862814477999999,0.7006834368000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",PBE,-12.8664586704876,1.06553821290621e-05,8.0,1.0,-0.021243494869870108,-0.021243494869870108,E0,hcp,-12.863725385,3.509100000000001e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",PBE,-12.8664586704876,1.06553821290621e-05,6.0,1.0,-0.09018340251630672,0.09018340251630672,E0,hcp,-12.8780620807,3.5581000000000007e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,-12.8664586704876,1.06553821290621e-05,40.0,1.0,-9.155684797851091e-06,9.155684797851091e-06,E0,hcp,-12.8664598485,1.8884e-06,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",PBE,-12.8664586704876,1.06553821290621e-05,22.0,1.0,-0.11375024151727159,0.11375024151727159,E0,hcp,-12.881094298299999,0.22993113420000005,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",PBE,-12.8664586704876,1.06553821290621e-05,8.0,1.0,-0.10147494988304176,-0.10147494988304176,E0,hcp,-12.853402438,0.0001291518,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",PBE,-12.8664586704876,1.06553821290621e-05,16.0,1.0,-482.4623578496687,-482.4623578496687,E0,hcp,49.2093612029,304.4389102229,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",PBE,-12.8664586704876,1.06553821290621e-05,4.0,1.0,-0.030913840315064944,-0.030913840315064944,E0,hcp,-12.862481154000001,3.6065e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84581, -12.85373, -12.859674, -12.863718, -12.865939000000001, -12.866412, -12.865206, -12.862391, -12.858032, -12.85219, -12.844926]",PBE,-12.8664586704876,1.06553821290621e-05,34.0,1.0,-5.34629440342821e-05,-5.34629440342821e-05,E0,hcp,-12.866451791700001,1.1931e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",PBE,-12.8664586704876,1.06553821290621e-05,20.0,1.0,-0.0002685844899915012,0.0002685844899915012,E0,hcp,-12.8664932278,1.3328e-06,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,-12.8664586704876,1.06553821290621e-05,38.0,1.0,-1.1792581310117321e-05,-1.1792581310117321e-05,E0,hcp,-12.866457153199999,1.829e-06,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,-12.8664586704876,1.06553821290621e-05,48.0,1.0,-3.6674893079765914e-07,-3.6674893079765914e-07,E0,hcp,-12.8664586233,1.5573e-06,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,-12.8664586704876,1.06553821290621e-05,46.0,1.0,-4.351528371036551e-06,-4.351528371036551e-06,E0,hcp,-12.8664581106,1.4203e-06,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,3.09777959064205,0.0156850265466261,44.0,1.0,0.23243928585822493,0.23243928585822493,dB,hcp,3.1049800474,0.0200411232,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,3.09777959064205,0.0156850265466261,26.0,1.0,0.049255261628667724,-0.049255261628667724,dB,hcp,3.0962537712,0.0167966753,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,3.09777959064205,0.0156850265466261,38.0,1.0,0.10308018580780062,0.10308018580780062,dB,hcp,3.1009727876,0.0180591671,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,3.09777959064205,0.0156850265466261,48.0,1.0,0.2536271489967917,0.2536271489967917,dB,hcp,3.1056364007,0.0153769213,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",PBE,3.09777959064205,0.0156850265466261,12.0,1.0,3.1387321793865297,3.1387321793865297,dB,hcp,3.1950105955000003,0.0051297724000000005,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,3.09777959064205,0.0156850265466261,42.0,1.0,0.13893616159624664,0.13893616159624664,dB,hcp,3.1020835267,0.021251155600000002,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,3.09777959064205,0.0156850265466261,40.0,1.0,0.237895980860363,-0.237895980860363,dB,hcp,3.0904100975,0.0186514285,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",PBE,3.09777959064205,0.0156850265466261,20.0,1.0,4889.957643088677,-4889.957643088677,dB,hcp,-148.382330268,23.9516057131,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,3.09777959064205,0.0156850265466261,46.0,1.0,0.06985287941681993,-0.06985287941681993,dB,hcp,3.0956157024,0.014032402900000001,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",PBE,3.09777959064205,0.0156850265466261,16.0,1.0,0.37470575999064093,0.37470575999064093,dB,hcp,3.1093871492000003,0.0101747902,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845809, -12.853731, -12.859678, -12.863728, -12.865953, -12.866427999999999, -12.865223, -12.862406, -12.858043, -12.852197, -12.84493]",PBE,3.09777959064205,0.0156850265466261,32.0,1.0,0.27113386579608634,0.27113386579608634,dB,hcp,3.1061787202,0.0188081804,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845825, -12.853743, -12.859682, -12.863725, -12.865944, -12.866414, -12.865205, -12.862386, -12.858023, -12.852179, -12.844914]",PBE,3.09777959064205,0.0156850265466261,28.0,1.0,0.9715408368260394,0.9715408368260394,dB,hcp,3.1278757844,0.0155577256,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845807, -12.853724, -12.859668, -12.863714, -12.865937, -12.86641, -12.865203, -12.862385, -12.858021, -12.852175, -12.84491]",PBE,3.09777959064205,0.0156850265466261,30.0,1.0,0.37556722863999875,0.37556722863999875,dB,hcp,3.1094138356,0.02051364,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,3.09777959064205,0.0156850265466261,44.0,1.0,0.23243928585822493,0.23243928585822493,dB,hcp,3.1049800474,0.0200411232,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,3.09777959064205,0.0156850265466261,26.0,1.0,0.049255261628667724,-0.049255261628667724,dB,hcp,3.0962537712,0.0167966753,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",PBE,3.09777959064205,0.0156850265466261,10.0,1.0,0.2734730310588143,-0.2734730310588143,dB,hcp,3.0893079989,0.0634685958,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",PBE,3.09777959064205,0.0156850265466261,14.0,1.0,3.6915396273964305,3.6915396273964305,dB,hcp,3.2121353518,0.0276181079,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84582, -12.853743, -12.859687, -12.863731, -12.865950999999999, -12.866421, -12.865212, -12.862393, -12.85803, -12.852184, -12.844917]",PBE,3.09777959064205,0.0156850265466261,36.0,1.0,1.2521142813104729,1.2521142813104729,dB,hcp,3.1365673313,0.0128606699,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845789, -12.853709, -12.859653, -12.863697, -12.865922, -12.866395, -12.170719, -12.861578, -12.858016, -12.841825, -12.844486]",PBE,3.09777959064205,0.0156850265466261,26.0,1.0,1227.1722398223621,-1227.1722398223621,dB,hcp,-34.9173115966,147.0430867241,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",PBE,3.09777959064205,0.0156850265466261,12.0,1.0,5533.73217529052,-5533.73217529052,dB,hcp,-168.3250463363,553.9814333978,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",PBE,3.09777959064205,0.0156850265466261,22.0,1.0,0.67391146616804,0.67391146616804,dB,hcp,3.1186558825,0.015398925800000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",PBE,3.09777959064205,0.0156850265466261,4.0,1.0,22.57693551441453,22.57693551441453,dB,hcp,3.7971632912,0.2218638106,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",PBE,3.09777959064205,0.0156850265466261,24.0,1.0,2.248380761767316,2.248380761767316,dB,hcp,3.167429471,0.0143565103,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,3.09777959064205,0.0156850265466261,42.0,1.0,0.13893616159624664,0.13893616159624664,dB,hcp,3.1020835267,0.021251155600000002,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",PBE,3.09777959064205,0.0156850265466261,18.0,1.0,0.7555901888132297,0.7555901888132297,dB,hcp,3.1211861093,0.0279329356,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",PBE,3.09777959064205,0.0156850265466261,6.0,1.0,773.26177973473,773.26177973473,dB,hcp,27.0517251855,7.6883474231,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",PBE,3.09777959064205,0.0156850265466261,10.0,1.0,2181.553467322421,2181.553467322421,dB,hcp,70.67749766029999,192.1936409722,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",PBE,3.09777959064205,0.0156850265466261,8.0,1.0,4.5851925737754184,-4.5851925737754184,dB,hcp,2.9557404309,0.0352704836,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",PBE,3.09777959064205,0.0156850265466261,6.0,1.0,3.5926286033469417,-3.5926286033469417,dB,hcp,2.986487875,0.035357481600000004,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,3.09777959064205,0.0156850265466261,40.0,1.0,0.237895980860363,-0.237895980860363,dB,hcp,3.0904100975,0.0186514285,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",PBE,3.09777959064205,0.0156850265466261,22.0,1.0,2364.128987300838,2364.128987300838,dB,hcp,76.3332848557,664.5391906013,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",PBE,3.09777959064205,0.0156850265466261,8.0,1.0,260.84464680611114,-260.84464680611114,dB,hcp,-4.9826126414,1.4688032674,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",PBE,3.09777959064205,0.0156850265466261,16.0,1.0,330.3353761504069,330.3353761504069,dB,hcp,13.3308414537,175.9795920704,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",PBE,3.09777959064205,0.0156850265466261,4.0,1.0,15.561813422695298,-15.561813422695298,dB,hcp,2.6157089105,0.0346542066,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84581, -12.85373, -12.859674, -12.863718, -12.865939000000001, -12.866412, -12.865206, -12.862391, -12.858032, -12.85219, -12.844926]",PBE,3.09777959064205,0.0156850265466261,34.0,1.0,0.8417206258546552,0.8417206258546552,dB,hcp,3.1238542404,0.0118552813,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",PBE,3.09777959064205,0.0156850265466261,20.0,1.0,0.31773303651698104,0.31773303651698104,dB,hcp,3.1076222598000003,0.0132436821,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,3.09777959064205,0.0156850265466261,38.0,1.0,0.10308018580780062,0.10308018580780062,dB,hcp,3.1009727876,0.0180591671,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,3.09777959064205,0.0156850265466261,48.0,1.0,0.2536271489967917,0.2536271489967917,dB,hcp,3.1056364007,0.0153769213,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,3.09777959064205,0.0156850265466261,46.0,1.0,0.06985287941681993,-0.06985287941681993,dB,hcp,3.0956157024,0.014032402900000001,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,65.5468112242466,0.000321652566625156,44.0,1.0,0.00011192786534488745,-0.00011192786534488745,v0,hcp,65.54673785909999,0.0004229052,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,65.5468112242466,0.000321652566625156,26.0,1.0,0.0012355274624066364,0.0012355274624066364,v0,hcp,65.5476210731,0.0003545111,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,65.5468112242466,0.000321652566625156,38.0,1.0,0.00010068293510426753,0.00010068293510426753,v0,hcp,65.5468772187,0.0003811112,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,65.5468112242466,0.000321652566625156,48.0,1.0,0.000216624339063264,-0.000216624339063264,v0,hcp,65.5466692339,0.0003244895,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +4,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845866000000001, -12.853814, -12.859769, -12.863824, -12.866056, -12.866539, -12.865346, -12.862547, -12.858204, -12.852383, -12.845142]",PBE,65.5468112242466,0.000321652566625156,12.0,1.0,0.0064239498074077726,0.0064239498074077726,v0,hcp,65.5510219185,0.000108313,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +5,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,65.5468112242466,0.000321652566625156,42.0,1.0,0.00020053203344585325,0.00020053203344585325,v0,hcp,65.5469426666,0.000448402,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,65.5468112242466,0.000321652566625156,40.0,1.0,0.0006856909512488001,0.0006856909512488001,v0,hcp,65.5472606728,0.0003935807,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +7,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862435, -12.8521, -12.842517, -12.73218]",PBE,65.5468112242466,0.000321652566625156,20.0,1.0,2.039762542191875,2.039762542191875,v0,hcp,66.8838105272,0.1970756768,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,65.5468112242466,0.000321652566625156,46.0,1.0,0.00022911023527264913,0.00022911023527264913,v0,hcp,65.5469613987,0.00029612080000000003,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +9,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, -12.858084, -12.852242, -12.844975]",PBE,65.5468112242466,0.000321652566625156,16.0,1.0,0.0012186314459675693,0.0012186314459675693,v0,hcp,65.5476099983,0.0002148155,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +10,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845809, -12.853731, -12.859678, -12.863728, -12.865953, -12.866427999999999, -12.865223, -12.862406, -12.858043, -12.852197, -12.84493]",PBE,65.5468112242466,0.000321652566625156,32.0,1.0,0.0010531448296365324,0.0010531448296365324,v0,hcp,65.5475015271,0.000397026,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845825, -12.853743, -12.859682, -12.863725, -12.865944, -12.866414, -12.865205, -12.862386, -12.858023, -12.852179, -12.844914]",PBE,65.5468112242466,0.000321652566625156,28.0,1.0,0.0017876838319141823,-0.0017876838319141823,v0,hcp,65.5456394545,0.00032838860000000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845807, -12.853724, -12.859668, -12.863714, -12.865937, -12.86641, -12.865203, -12.862385, -12.858021, -12.852175, -12.84491]",PBE,65.5468112242466,0.000321652566625156,30.0,1.0,0.00017501697559472017,-0.00017501697559472017,v0,hcp,65.54669650619999,0.0004330521,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378012, -12.85213126, -12.85850191, -12.86296538, -12.86559635, -12.86646706, -12.86565128, -12.86321692, -12.85922917, -12.8537511, -12.84684545]",PBE,65.5468112242466,0.000321652566625156,44.0,1.0,0.00011192786534488745,-0.00011192786534488745,v0,hcp,65.54673785909999,0.0004229052,"[62.2630196755, 62.9184198826, 63.5738200897, 64.2292202968, 64.8846205039, 65.540020711, 66.1954209181, 66.8508211253, 67.5062213324, 68.1616215395, 68.8170217466]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84384207, -12.85217518, -12.85852529, -12.86296928, -12.86558521, -12.86644222, -12.86561226, -12.86316579, -12.85916607, -12.85367645, -12.84675932]",PBE,65.5468112242466,0.000321652566625156,26.0,1.0,0.0012355274624066364,0.0012355274624066364,v0,hcp,65.5476210731,0.0003545111,"[62.2690633218, 62.9245271463, 63.5799909707, 64.2354547951, 64.8909186196, 65.546382444, 66.2018462685, 66.8573100929, 67.5127739173, 68.1682377418, 68.8237015662]" +15,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845685, -12.853652, -12.859603, -12.863643, -12.865859, -12.866374, -12.865145, -12.862306, -12.857924, -12.852052, -12.844754]",PBE,65.5468112242466,0.000321652566625156,10.0,1.0,0.0016982767365886758,-0.0016982767365886758,v0,hcp,65.545698058,0.0013397367999999998,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +16,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845805, -12.853738, -12.859693, -12.863748, -12.865978, -12.866456, -12.865252, -12.86244, -12.858088, -12.852267, -12.845023]",PBE,65.5468112242466,0.000321652566625156,14.0,1.0,0.0024486456677767702,0.0024486456677767702,v0,hcp,65.5484162334,0.0005830361,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84582, -12.853743, -12.859687, -12.863731, -12.865950999999999, -12.866421, -12.865212, -12.862393, -12.85803, -12.852184, -12.844917]",PBE,65.5468112242466,0.000321652566625156,36.0,1.0,0.001638326909490942,-0.001638326909490942,v0,hcp,65.5457373532,0.0002714741,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +18,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845789, -12.853709, -12.859653, -12.863697, -12.865922, -12.866395, -12.170719, -12.861578, -12.858016, -12.841825, -12.844486]",PBE,65.5468112242466,0.000321652566625156,26.0,1.0,1.603434282649939,1.603434282649939,v0,hcp,66.5978112666,2.4332088535,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +19,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845866000000001, -12.853814, -12.846352, -12.828889, -12.866056, -12.866539, -12.164783, -11.345291, 1526.1962, -12.846542, -12.803394]",PBE,65.5468112242466,0.000321652566625156,12.0,1.0,3.6285367488229796,3.6285367488229796,v0,hcp,67.92520135720001,2.0778882811000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +20,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.865946, -12.866418, -12.865211, -12.862393, -12.858029, -12.852181999999999, -12.844916]",PBE,65.5468112242466,0.000321652566625156,22.0,1.0,0.0006517379543241004,-0.0006517379543241004,v0,hcp,65.5463840308,0.0003250805,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.799731, -12.809186, -12.816684, -12.822295, -12.826063, -12.828074, -12.828403999999999, -12.827109, -12.824251, -12.820132, -12.814566]",PBE,65.5468112242466,0.000321652566625156,4.0,1.0,0.9289825126201647,0.9289825126201647,v0,hcp,66.1557296381,0.0044182164,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +22,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845871, -12.853794, -12.859736999999999, -12.863779, -12.865995, -12.866457, -12.865242, -12.862419, -12.858051, -12.852202, -12.844932]",PBE,65.5468112242466,0.000321652566625156,24.0,1.0,0.0049931152796890265,-0.0049931152796890265,v0,hcp,65.54353839640001,0.0003030306,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +23,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375155, -12.85210802, -12.85848121, -12.86294988, -12.86558672, -12.86646292, -12.86565167, -12.8632207, -12.85923816, -12.85376554, -12.84686432]",PBE,65.5468112242466,0.000321652566625156,42.0,1.0,0.00020053203344585325,0.00020053203344585325,v0,hcp,65.5469426666,0.000448402,"[62.2613936898, 62.9167767813, 63.5721598728, 64.2275429642, 64.8829260557, 65.5383091472, 66.1936922387, 66.8490753301, 67.5044584216, 68.1598415131, 68.8152246045]" +24,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845785, -12.853714, -12.859662, -12.863714, -12.865944, -12.866416, -12.865206, -12.862384, -12.858012, -12.852161, -12.844891]",PBE,65.5468112242466,0.000321652566625156,18.0,1.0,0.0004843606281820404,-0.0004843606281820404,v0,hcp,65.5464937413,0.0005896462,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +25,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.834999, -12.847177, -12.859431, -12.858368, -12.860703, -12.860638999999999, -12.859439, -12.856864999999999, -12.852895, -12.847551, -12.840864]",PBE,65.5468112242466,0.000321652566625156,6.0,1.0,0.5565880471262911,-0.5565880471262911,v0,hcp,65.1819855077,0.14951771960000002,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +26,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845685, -12.853652, -12.859603, -8.6582555, -12.813054, -12.853867, -12.854871, -12.852468, -12.846624, -12.842042, -12.835075]",PBE,65.5468112242466,0.000321652566625156,10.0,1.0,2.1519167187569166,-2.1519167187569166,v0,hcp,64.1362984349,2.0499925399000003,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +27,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.843359, -12.851177, -12.857038, -12.861024, -12.86321, -12.863675, -12.86249, -12.859718, -12.855409, -12.849615, -12.842396]",PBE,65.5468112242466,0.000321652566625156,8.0,1.0,0.0016836780200168641,0.0016836780200168641,v0,hcp,65.5479148215,0.0007445525000000001,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +28,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.857954, -12.865739, -12.871562, -12.875496, -12.877623, -12.878003, -12.876707, -12.873788, -12.869327, -12.863389, -12.856028]",PBE,65.5468112242466,0.000321652566625156,6.0,1.0,0.05629309169649165,-0.05629309169649165,v0,hcp,65.5099128977,0.0007447205,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +29,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84378113, -12.8521314, -12.85849871, -12.86295996, -12.865591, -12.86646381, -12.8656481, -12.86321434, -12.85922586, -12.85374745, -12.84684142]",PBE,65.5468112242466,0.000321652566625156,40.0,1.0,0.0006856909512488001,0.0006856909512488001,v0,hcp,65.5472606728,0.0003935807,"[62.2633465044, 62.9187501519, 63.5741537993, 64.2295574467, 64.8849610941, 65.5403647415, 66.1957683889, 66.8511720363, 67.5065756838, 68.1619793312, 68.8173829786]" +30,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.845814, -12.853736, -12.859679, -12.863724, -12.864189, -12.866418, -12.865211, -12.862393, -11.918945, -12.851348, -12.801131999999999]",PBE,65.5468112242466,0.000321652566625156,22.0,1.0,3.3742748903221242,-3.3742748903221242,v0,hcp,63.3350816317,2.8051414621,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +31,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.835280000000001, -12.840946, -12.845993, -12.850051, -12.85268, -12.853638, -12.852970000000001, -12.850724, -12.846953, -12.841708, -12.835036]",PBE,65.5468112242466,0.000321652566625156,8.0,1.0,0.3818867267196666,0.3818867267196666,v0,hcp,65.79712579609999,0.0308855089,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +32,TetraBloechl,PseudoPot_ISPIN_2,VASP,Y,"[-12.84585, -12.853769, -12.859714, -12.863759, -12.865981, -12.866453, -12.865248, -12.862439, 32.409394, -1667.4225, -9.7487571]",PBE,65.5468112242466,0.000321652566625156,16.0,1.0,2.3106990023739487,-2.3106990023739487,v0,hcp,64.0322217112,2.2434942693,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +33,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.835198, -12.844321, -12.851519, -12.85687, -12.860406, -12.862207, -12.86234, -12.860858, -12.857815, -12.85328, -12.847304]",PBE,65.5468112242466,0.000321652566625156,4.0,1.0,0.8054004615835797,0.8054004615835797,v0,hcp,66.0747255444,0.0007031959,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +34,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84581, -12.85373, -12.859674, -12.863718, -12.865939000000001, -12.866412, -12.865206, -12.862391, -12.858032, -12.85219, -12.844926]",PBE,65.5468112242466,0.000321652566625156,34.0,1.0,1.0440101162161095e-05,1.0440101162161095e-05,v0,hcp,65.5468180674,0.0002502633,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +35,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.845846, -12.853765, -12.859712, -12.863757, -12.865978, -12.866452, -12.865251, -12.862436, -12.858075, -12.852232, -12.844967]",PBE,65.5468112242466,0.000321652566625156,20.0,1.0,0.0009722469201685471,0.0009722469201685471,v0,hcp,65.54744850109999,0.0002795504,"[62.4093844818, 63.0663253711, 63.7232662603, 64.3802071496, 65.0371480389, 65.6940889282, 66.3510298175, 67.0079707067, 67.664911596, 68.3218524853, 68.9787933746]" +36,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379779, -12.85214435, -12.85850902, -12.86296758, -12.86559342, -12.86646067, -12.86564017, -12.86320111, -12.85921131, -12.85372865, -12.84681776]",PBE,65.5468112242466,0.000321652566625156,38.0,1.0,0.00010068293510426753,0.00010068293510426753,v0,hcp,65.5468772187,0.0003811112,"[62.2647095238, 62.9201275188, 63.5755455138, 64.2309635088, 64.8863815038, 65.5417994988, 66.1972174937, 66.8526354887, 67.5080534837, 68.1634714787, 68.8188894737]" +37,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84375326, -12.85211161, -12.85848486, -12.86294937, -12.86558548, -12.86646199, -12.86565128, -12.86322091, -12.85923978, -12.85376789, -12.84686622]",PBE,65.5468112242466,0.000321652566625156,48.0,1.0,0.000216624339063264,-0.000216624339063264,v0,hcp,65.5466692339,0.0003244895,"[62.2612130082, 62.9165941977, 63.5719753873, 64.2273565769, 64.8827377664, 65.538118956, 66.1935001455, 66.8488813351, 67.5042625246, 68.1596437142, 68.8150249038]" +38,TetraBloechl,PseudoPot_ISPIN_1,VASP,Y,"[-12.84379457, -12.85214251, -12.85850755, -12.86296467, -12.86559147, -12.86646008, -12.86564394, -12.86320814, -12.85921934, -12.85373925, -12.84683098]",PBE,65.5468112242466,0.000321652566625156,46.0,1.0,0.00022911023527264913,0.00022911023527264913,v0,hcp,65.5469613987,0.00029612080000000003,"[62.2640472503, 62.919458274, 63.5748692977, 64.2302803213, 64.885691345, 65.5411023687, 66.1965133924, 66.8519244161, 67.5073354398, 68.1627464635, 68.8181574872]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,74.01740250241409,0.0103739947794231,66.0,1.0,14.14621801159881,-14.14621801159881,B,bcc,63.546739377899996,0.0598405771,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,74.01740250241409,0.0103739947794231,64.0,1.0,14.278197184600455,-14.278197184600455,B,bcc,63.44905182220001,0.05865736110000001,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,74.01740250241409,0.0103739947794231,64.0,1.0,14.278197184600455,-14.278197184600455,B,bcc,63.44905182220001,0.05865736110000001,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,74.01740250241409,0.0103739947794231,66.0,1.0,14.14621801159881,-14.14621801159881,B,bcc,63.546739377899996,0.0598405771,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,-2.21437331272118,2.02603372774566e-05,66.0,1.0,-53.774728117449754,-53.774728117449754,E0,bcc,-1.0236000843000002,3.6839e-06,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,-2.21437331272118,2.02603372774566e-05,64.0,1.0,-53.77482365238002,-53.77482365238002,E0,bcc,-1.0235979688,3.6184e-06,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,-2.21437331272118,2.02603372774566e-05,64.0,1.0,-53.77482365238002,-53.77482365238002,E0,bcc,-1.0235979688,3.6184e-06,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,-2.21437331272118,2.02603372774566e-05,66.0,1.0,-53.774728117449754,-53.774728117449754,E0,bcc,-1.0236000843000002,3.6839e-06,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,5.34593414647691,0.012777232434612,66.0,1.0,1.5399414362626234,-1.5399414362626234,dB,bcc,5.2636098914,0.098558169,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,5.34593414647691,0.012777232434612,64.0,1.0,0.6436343898056801,0.6436343898056801,dB,bcc,5.3803424171000005,0.09700770800000001,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,5.34593414647691,0.012777232434612,64.0,1.0,0.6436343898056801,0.6436343898056801,dB,bcc,5.3803424171000005,0.09700770800000001,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,5.34593414647691,0.012777232434612,66.0,1.0,1.5399414362626234,-1.5399414362626234,dB,bcc,5.2636098914,0.098558169,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,30.6152778844655,0.00229286231642672,66.0,1.0,49.57190784136651,-49.57190784136651,v0,bcc,15.438700546199998,0.0004871664,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,30.6152778844655,0.00229286231642672,64.0,1.0,49.574211723770134,-49.574211723770134,v0,bcc,15.437995206199998,0.00047965,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.01469481, -1.01799327, -1.02044518, -1.02218111, -1.02321647, -1.02359621, -1.02335967, -1.0225445, -1.02118731, -1.01932542, -1.01698165]",PBE,30.6152778844655,0.00229286231642672,64.0,1.0,49.574211723770134,-49.574211723770134,v0,bcc,15.437995206199998,0.00047965,"[14.6508897113, 14.805109603, 14.9593294947, 15.1135493864, 15.2677692781, 15.4219891698, 15.5762090615, 15.7304289532, 15.8846488449, 16.0388687366, 16.1930886283]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.0146664, -1.01796894, -1.02042598, -1.02216865, -1.02321156, -1.02359693, -1.02336567, -1.02255615, -1.02120129, -1.01933482, -1.01698886]",PBE,30.6152778844655,0.00229286231642672,66.0,1.0,49.57190784136651,-49.57190784136651,v0,bcc,15.438700546199998,0.0004871664,"[14.6500959939, 14.804307530700001, 14.9585190674, 15.1127306042, 15.266942141, 15.4211536778, 15.5753652146, 15.7295767513, 15.8837882881, 16.0379998249, 16.1922113617]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,74.01740250241409,0.0103739947794231,68.0,1.0,6.474870083366925,-6.474870083366925,B,fcc,69.2248718513,0.0258929931,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,74.01740250241409,0.0103739947794231,70.0,1.0,6.509628042617317,-6.509628042617317,B,fcc,69.1991449127,0.019695958,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,74.01740250241409,0.0103739947794231,68.0,1.0,6.474870083366925,-6.474870083366925,B,fcc,69.2248718513,0.0258929931,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,74.01740250241409,0.0103739947794231,70.0,1.0,6.509628042617317,-6.509628042617317,B,fcc,69.1991449127,0.019695958,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,-2.21437331272118,2.02603372774566e-05,68.0,1.0,-51.00607769848946,-51.00607769848946,E0,fcc,-1.0849083403,1.5908e-06,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,-2.21437331272118,2.02603372774566e-05,70.0,1.0,-51.00565327140908,-51.00565327140908,E0,fcc,-1.0849177387,1.2057e-06,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,-2.21437331272118,2.02603372774566e-05,68.0,1.0,-51.00607769848946,-51.00607769848946,E0,fcc,-1.0849083403,1.5908e-06,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,-2.21437331272118,2.02603372774566e-05,70.0,1.0,-51.00565327140908,-51.00565327140908,E0,fcc,-1.0849177387,1.2057e-06,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,5.34593414647691,0.012777232434612,68.0,1.0,0.5876591577098631,-0.5876591577098631,dB,fcc,5.3145182749,0.039782413100000004,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,5.34593414647691,0.012777232434612,70.0,1.0,0.13626212514628505,-0.13626212514628505,dB,fcc,5.338649663,0.030122725000000006,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,5.34593414647691,0.012777232434612,68.0,1.0,0.5876591577098631,-0.5876591577098631,dB,fcc,5.3145182749,0.039782413100000004,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,5.34593414647691,0.012777232434612,70.0,1.0,0.13626212514628505,-0.13626212514628505,dB,fcc,5.338649663,0.030122725000000006,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +0,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,30.6152778844655,0.00229286231642672,68.0,1.0,50.27237618501271,-50.27237618501271,v0,fcc,15.224250216300002,0.0001943185,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +1,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,30.6152778844655,0.00229286231642672,70.0,1.0,50.274337825544826,-50.274337825544826,v0,fcc,15.2236496546,0.0001470393,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +2,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07548961, -1.07897045, -1.08160508, -1.0834419, -1.08452888, -1.0849097699999999, -1.08462933, -1.08372824, -1.0822444, -1.08021639, -1.0776787]",PBE,30.6152778844655,0.00229286231642672,68.0,1.0,50.27237618501271,-50.27237618501271,v0,fcc,15.224250216300002,0.0001943185,"[14.4533783739, 14.6055191989, 14.7576600239, 14.9098008489, 15.0619416738, 15.2140824988, 15.3662233238, 15.5183641488, 15.6705049738, 15.8226457988, 15.9747866238]" +3,TetraBloechl,PseudoPot_2_POT,VASP,Zn,"[-1.07544587, -1.07893996, -1.08158592, -1.08343183, -1.08452717, -1.08491789, -1.08464701, -1.08375532, -1.0822817200000001, -1.08026276, -1.07773378]",PBE,30.6152778844655,0.00229286231642672,70.0,1.0,50.274337825544826,-50.274337825544826,v0,fcc,15.2236496546,0.0001470393,"[14.4507932792, 14.6029068926, 14.7550205061, 14.9071341196, 15.059247733, 15.2113613465, 15.36347496, 15.5155885734, 15.6677021869, 15.8198158003, 15.9719294138]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,74.0645147013997,0.0116623031571905,58.0,1.0,0.00912186210486239,-0.00912186210486239,B,hcp,74.0577586385,0.0168607321,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,74.0645147013997,0.0116623031571905,52.0,1.0,0.00949451694654496,-0.00949451694654496,B,hcp,74.0574826335,0.0161366112,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.028132406300503864,0.028132406300503864,B,hcp,74.0853508316,0.016925221100000002,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,74.0645147013997,0.0116623031571905,20.0,1.0,0.2099387053667806,0.2099387053667806,B,hcp,74.22000478470001,0.0308763525,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,74.0645147013997,0.0116623031571905,40.0,1.0,0.0499141297952661,0.0499141297952661,B,hcp,74.10148335939999,0.0145798841,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,74.0645147013997,0.0116623031571905,8.0,1.0,0.6248500419750379,0.6248500419750379,B,hcp,74.5273068526,0.0250866941,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,74.0645147013997,0.0116623031571905,24.0,1.0,0.32487456330522474,0.32487456330522474,B,hcp,74.30513147010001,0.0174892489,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,74.0645147013997,0.0116623031571905,54.0,1.0,0.0008524614018386862,0.0008524614018386862,B,hcp,74.06514607279999,0.023162987200000002,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,74.0645147013997,0.0116623031571905,56.0,1.0,0.05152771182549479,0.05152771182549479,B,hcp,74.10267845109999,0.0234928238,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,74.0645147013997,0.0116623031571905,36.0,1.0,0.020595229661316876,0.020595229661316876,B,hcp,74.0797684583,0.0189918586,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.037081685218647464,0.037081685218647464,B,hcp,74.0919790716,0.0225174109,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,74.0645147013997,0.0116623031571905,58.0,1.0,0.00912186210486239,-0.00912186210486239,B,hcp,74.0577586385,0.0168607321,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,74.0645147013997,0.0116623031571905,52.0,1.0,0.00949451694654496,-0.00949451694654496,B,hcp,74.0574826335,0.0161366112,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.028132406300503864,0.028132406300503864,B,hcp,74.0853508316,0.016925221100000002,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,74.0645147013997,0.0116623031571905,20.0,1.0,0.2099387053667806,0.2099387053667806,B,hcp,74.22000478470001,0.0308763525,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,74.0645147013997,0.0116623031571905,40.0,1.0,0.0499141297952661,0.0499141297952661,B,hcp,74.10148335939999,0.0145798841,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,74.0645147013997,0.0116623031571905,8.0,1.0,0.6248500419750379,0.6248500419750379,B,hcp,74.5273068526,0.0250866941,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,74.0645147013997,0.0116623031571905,24.0,1.0,0.32487456330522474,0.32487456330522474,B,hcp,74.30513147010001,0.0174892489,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,74.0645147013997,0.0116623031571905,54.0,1.0,0.0008524614018386862,0.0008524614018386862,B,hcp,74.06514607279999,0.023162987200000002,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,74.0645147013997,0.0116623031571905,56.0,1.0,0.05152771182549479,0.05152771182549479,B,hcp,74.10267845109999,0.0234928238,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,74.0645147013997,0.0116623031571905,36.0,1.0,0.020595229661316876,0.020595229661316876,B,hcp,74.0797684583,0.0189918586,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,74.0645147013997,0.0116623031571905,42.0,1.0,0.037081685218647464,0.037081685218647464,B,hcp,74.0919790716,0.0225174109,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,-2.2143017042080397,1.7227445226698902e-05,58.0,1.0,-0.0001244323677623366,-0.0001244323677623366,E0,hcp,-2.2142989489,2.1038e-06,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,-2.2143017042080397,1.7227445226698902e-05,52.0,1.0,-7.344942909667966e-05,7.344942909667966e-05,E0,hcp,-2.2143033306,2.0095e-06,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,-2.2143017042080397,1.7227445226698902e-05,42.0,1.0,-0.0032820772265267496,0.0032820772265267496,E0,hcp,-2.2143743793,2.1048e-06,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,-2.2143017042080397,1.7227445226698902e-05,20.0,1.0,-0.014658770637391124,-0.014658770637391124,E0,hcp,-2.2139771148,3.8408e-06,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,-2.2143017042080397,1.7227445226698902e-05,40.0,1.0,-0.0010088865450384944,0.0010088865450384944,E0,hcp,-2.214324044,1.8112000000000001e-06,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,-2.2143017042080397,1.7227445226698902e-05,8.0,1.0,-0.13335333222333945,-0.13335333222333945,E0,hcp,-2.2113488591,2.4716e-06,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,-2.2143017042080397,1.7227445226698902e-05,24.0,1.0,-0.03259057655009996,0.03259057655009996,E0,hcp,-2.2150233579,2.1698e-06,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,-2.2143017042080397,1.7227445226698902e-05,54.0,1.0,-0.003278270157230209,0.003278270157230209,E0,hcp,-2.214374295,2.8772e-06,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,-2.2143017042080397,1.7227445226698902e-05,56.0,1.0,-0.0013799064464476056,0.0013799064464476056,E0,hcp,-2.2143322595,2.9183e-06,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,-2.2143017042080397,1.7227445226698902e-05,36.0,1.0,-0.0034484140898665794,0.0034484140898665794,E0,hcp,-2.2143780625,2.3599e-06,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,-2.2143017042080397,1.7227445226698902e-05,42.0,1.0,-0.0030959282481759763,0.0030959282481759763,E0,hcp,-2.2143702574,2.7983e-06,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,-2.2143017042080397,1.7227445226698902e-05,58.0,1.0,-0.0001244323677623366,-0.0001244323677623366,E0,hcp,-2.2142989489,2.1038e-06,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,-2.2143017042080397,1.7227445226698902e-05,52.0,1.0,-7.344942909667966e-05,7.344942909667966e-05,E0,hcp,-2.2143033306,2.0095e-06,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,-2.2143017042080397,1.7227445226698902e-05,42.0,1.0,-0.0032820772265267496,0.0032820772265267496,E0,hcp,-2.2143743793,2.1048e-06,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,-2.2143017042080397,1.7227445226698902e-05,20.0,1.0,-0.014658770637391124,-0.014658770637391124,E0,hcp,-2.2139771148,3.8408e-06,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,-2.2143017042080397,1.7227445226698902e-05,40.0,1.0,-0.0010088865450384944,0.0010088865450384944,E0,hcp,-2.214324044,1.8112000000000001e-06,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,-2.2143017042080397,1.7227445226698902e-05,8.0,1.0,-0.13335333222333945,-0.13335333222333945,E0,hcp,-2.2113488591,2.4716e-06,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,-2.2143017042080397,1.7227445226698902e-05,24.0,1.0,-0.03259057655009996,0.03259057655009996,E0,hcp,-2.2150233579,2.1698e-06,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,-2.2143017042080397,1.7227445226698902e-05,54.0,1.0,-0.003278270157230209,0.003278270157230209,E0,hcp,-2.214374295,2.8772e-06,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,-2.2143017042080397,1.7227445226698902e-05,56.0,1.0,-0.0013799064464476056,0.0013799064464476056,E0,hcp,-2.2143322595,2.9183e-06,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,-2.2143017042080397,1.7227445226698902e-05,36.0,1.0,-0.0034484140898665794,0.0034484140898665794,E0,hcp,-2.2143780625,2.3599e-06,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,-2.2143017042080397,1.7227445226698902e-05,42.0,1.0,-0.0030959282481759763,0.0030959282481759763,E0,hcp,-2.2143702574,2.7983e-06,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,5.31800328556842,0.0145829857591977,58.0,1.0,0.7054952191059127,0.7054952191059127,dB,hcp,5.3555215445,0.024556144,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,5.31800328556842,0.0145829857591977,52.0,1.0,1.0508462486895052,1.0508462486895052,dB,hcp,5.3738873236,0.0234416023,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.884411028086708,0.884411028086708,dB,hcp,5.3650362931,0.024537598400000003,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,5.31800328556842,0.0145829857591977,20.0,1.0,5.424665421220136,5.424665421220136,dB,hcp,5.6064871709,0.044824412,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,5.31800328556842,0.0145829857591977,40.0,1.0,1.057999074281625,1.057999074281625,dB,hcp,5.3742677111,0.0211096223,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,5.31800328556842,0.0145829857591977,8.0,1.0,2.62489486885489,-2.62489486885489,dB,hcp,5.1784112902,0.027464784000000003,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,5.31800328556842,0.0145829857591977,24.0,1.0,0.044015968134737966,0.044015968134737966,dB,hcp,5.3203440562,0.025242163300000002,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,5.31800328556842,0.0145829857591977,54.0,1.0,0.7986682548098595,0.7986682548098595,dB,hcp,5.3604764896,0.0335266573,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,5.31800328556842,0.0145829857591977,56.0,1.0,0.41533379696019596,-0.41533379696019596,dB,hcp,5.2959158206,0.033985236700000004,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,5.31800328556842,0.0145829857591977,36.0,1.0,1.1361914441751189,1.1361914441751189,dB,hcp,5.3784259839,0.0275083635,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.6793012901969198,0.6793012901969198,dB,hcp,5.3541285505000005,0.0326104573,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,5.31800328556842,0.0145829857591977,58.0,1.0,0.7054952191059127,0.7054952191059127,dB,hcp,5.3555215445,0.024556144,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,5.31800328556842,0.0145829857591977,52.0,1.0,1.0508462486895052,1.0508462486895052,dB,hcp,5.3738873236,0.0234416023,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.884411028086708,0.884411028086708,dB,hcp,5.3650362931,0.024537598400000003,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,5.31800328556842,0.0145829857591977,20.0,1.0,5.424665421220136,5.424665421220136,dB,hcp,5.6064871709,0.044824412,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,5.31800328556842,0.0145829857591977,40.0,1.0,1.057999074281625,1.057999074281625,dB,hcp,5.3742677111,0.0211096223,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,5.31800328556842,0.0145829857591977,8.0,1.0,2.62489486885489,-2.62489486885489,dB,hcp,5.1784112902,0.027464784000000003,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,5.31800328556842,0.0145829857591977,24.0,1.0,0.044015968134737966,0.044015968134737966,dB,hcp,5.3203440562,0.025242163300000002,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,5.31800328556842,0.0145829857591977,54.0,1.0,0.7986682548098595,0.7986682548098595,dB,hcp,5.3604764896,0.0335266573,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,5.31800328556842,0.0145829857591977,56.0,1.0,0.41533379696019596,-0.41533379696019596,dB,hcp,5.2959158206,0.033985236700000004,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,5.31800328556842,0.0145829857591977,36.0,1.0,1.1361914441751189,1.1361914441751189,dB,hcp,5.3784259839,0.0275083635,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,5.31800328556842,0.0145829857591977,42.0,1.0,0.6793012901969198,0.6793012901969198,dB,hcp,5.3541285505000005,0.0326104573,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" +0,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,30.609330083642305,0.00140114277404648,58.0,1.0,0.022714546915286443,-0.022714546915286443,v0,hcp,30.602377313,0.0002415117,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +1,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,30.609330083642305,0.00140114277404648,52.0,1.0,0.034726407971877225,-0.034726407971877225,v0,hcp,30.5987005628,0.0002304526,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +2,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.04847442006001995,-0.04847442006001995,v0,hcp,30.594492388400003,0.0002411449,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +3,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,30.609330083642305,0.00140114277404648,20.0,1.0,0.2870353915039029,-0.2870353915039029,v0,hcp,30.5214704732,0.0004396402,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +4,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,30.609330083642305,0.00140114277404648,40.0,1.0,0.08370101688699526,-0.08370101688699526,v0,hcp,30.5837097631,0.00020735720000000001,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +5,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,30.609330083642305,0.00140114277404648,8.0,1.0,2.440447695853055,-2.440447695853055,v0,hcp,29.8623253929,0.0002500371,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +6,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,30.609330083642305,0.00140114277404648,24.0,1.0,0.17116191925514915,-0.17116191925514915,v0,hcp,30.5569385668,0.0002477239,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +7,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,30.609330083642305,0.00140114277404648,54.0,1.0,0.0314796688329192,-0.0314796688329192,v0,hcp,30.5996943679,0.0003294717,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +8,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,30.609330083642305,0.00140114277404648,56.0,1.0,0.013617375587499208,-0.013617375587499208,v0,hcp,30.6051618962,0.000334035,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +9,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,30.609330083642305,0.00140114277404648,36.0,1.0,0.060587476405487534,-0.060587476405487534,v0,hcp,30.590784663,0.0002702746,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +10,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.05304749988953894,-0.05304749988953894,v0,hcp,30.593092599299997,0.0003204384,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" +11,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19440017, -2.20181892, -2.20740805, -2.21129017, -2.21354755, -2.21430194, -2.21363655, -2.21163695, -2.20839514, -2.20397561, -2.19846339]",PBE,30.609330083642305,0.00140114277404648,58.0,1.0,0.022714546915286443,-0.022714546915286443,v0,hcp,30.602377313,0.0002415117,"[29.0664071718, 29.3723693525, 29.6783315333, 29.984293714, 30.2902558948, 30.5962180755, 30.9021802563, 31.2081424371, 31.5141046178, 31.8200667986, 32.1260289793]" +12,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1943337, -2.20176923, -2.20737634, -2.21126609, -2.21354011, -2.21430656, -2.21365306, -2.21166414, -2.20843471, -2.20402547, -2.19852791]",PBE,30.609330083642305,0.00140114277404648,52.0,1.0,0.034726407971877225,-0.034726407971877225,v0,hcp,30.5987005628,0.0002304526,"[29.0604880563, 29.3663879306, 29.6722878049, 29.9781876792, 30.2840875534, 30.5899874277, 30.895887302, 31.2017871763, 31.5076870505, 31.8135869248, 32.1194867991]" +13,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19435685, -2.20179919, -2.20742017, -2.21131872, -2.2136052, -2.21437563, -2.2137309, -2.21174905, -2.20852781, -2.2041255299999998, -2.19862949]",PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.04847442006001995,-0.04847442006001995,v0,hcp,30.594492388400003,0.0002411449,"[29.0547688491, 29.3606085212, 29.6664481933, 29.9722878654, 30.2781275375, 30.5839672096, 30.8898068817, 31.1956465538, 31.5014862259, 31.807325898, 32.11316557]" +14,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19402976, -2.20147002, -2.2070899, -2.2109768499999998, -2.21323983, -2.21397686, -2.21330275, -2.21131075, -2.20807546, -2.20368293, -2.1981838]",PBE,30.609330083642305,0.00140114277404648,20.0,1.0,0.2870353915039029,-0.2870353915039029,v0,hcp,30.5214704732,0.0004396402,"[28.990564395, 29.2957282308, 29.6008920665, 29.9060559022, 30.211219738, 30.5163835737, 30.8215474095, 31.1267112452, 31.4318750809, 31.7370389167, 32.0422027524]" +15,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19427939, -2.201729, -2.20735534, -2.21125892, -2.21355002, -2.214326, -2.21368091, -2.21171117, -2.20849069, -2.204096, -2.19860324]",PBE,30.609330083642305,0.00140114277404648,40.0,1.0,0.08370101688699526,-0.08370101688699526,v0,hcp,30.5837097631,0.00020735720000000001,"[29.0435821101, 29.3493040271, 29.655025944, 29.960747861, 30.2664697779, 30.5721916949, 30.8779136118, 31.1836355288, 31.4893574457, 31.7950793627, 32.1008012796]" +16,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.18703403, -2.19528958, -2.20171281, -2.20642423, -2.20952424, -2.21109411, -2.21124886, -2.21005043, -2.20759873, -2.20396148, -2.1992128]",PBE,30.609330083642305,0.00140114277404648,8.0,1.0,2.440447695853055,-2.440447695853055,v0,hcp,29.8623253929,0.0002500371,"[28.1981399541, 28.4949624799, 28.7917850057, 29.0886075316, 29.3854300574, 29.6822525832, 29.979075109100002, 30.2758976349, 30.5727201607, 30.8695426866, 31.1663652124]" +17,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19493601, -2.20239888, -2.20802914, -2.21194214, -2.21424391, -2.21502563, -2.21438843, -2.21241126, -2.20918546, -2.20478247, -2.19928122]",PBE,30.609330083642305,0.00140114277404648,24.0,1.0,0.17116191925514915,-0.17116191925514915,v0,hcp,30.5569385668,0.0002477239,"[29.0172892812, 29.3227344315, 29.6281795819, 29.9336247322, 30.2390698825, 30.5445150328, 30.8499601832, 31.1554053335, 31.4608504838, 31.7662956342, 32.0717407845]" +18,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.19430986, -2.20176443, -2.20738805, -2.211299, -2.21359744, -2.21437804, -2.21373682, -2.21176814, -2.20855392, -2.20415258, -2.19867298]",PBE,30.609330083642305,0.00140114277404648,54.0,1.0,0.0314796688329192,-0.0314796688329192,v0,hcp,30.5996943679,0.0003294717,"[29.0578763706, 29.3637487535, 29.6696211363, 29.9754935192, 30.281365902, 30.5872382849, 30.8931106677, 31.1989830506, 31.5048554334, 31.810727816300002, 32.1166001991]" +19,TetraBloechl,PseudoPot_ISPIN_1,VASP,Zn,"[-2.1942606, -2.20171215, -2.20733879, -2.21124864, -2.213552, -2.21433368, -2.21369734, -2.21173193, -2.20851169, -2.20410411, -2.19861822]",PBE,30.609330083642305,0.00140114277404648,56.0,1.0,0.013617375587499208,-0.013617375587499208,v0,hcp,30.6051618962,0.000334035,"[29.0624709772, 29.3683917243, 29.6743124714, 29.9802332186, 30.2861539657, 30.5920747128, 30.89799546, 31.2039162071, 31.5098369542, 31.8157577013, 32.1216784485]" +20,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19433573, -2.20178544, -2.20741068, -2.2113118, -2.21360289, -2.21438126, -2.21374096, -2.21176279, -2.20854194, -2.20414648, -2.19866015]",PBE,30.609330083642305,0.00140114277404648,36.0,1.0,0.060587476405487534,-0.060587476405487534,v0,hcp,30.590784663,0.0002702746,"[29.0503858237, 29.3561793587, 29.6619728937, 29.9677664287, 30.2735599637, 30.5793534986, 30.8851470336, 31.1909405686, 31.4967341036, 31.8025276386, 32.1083211736]" +21,TetraBloechl,PseudoPot_ISPIN_2,VASP,Zn,"[-2.19432905, -2.20177677, -2.20739706, -2.21130441, -2.21359578, -2.21437371, -2.21373296, -2.2117557899999998, -2.20853237, -2.20413378, -2.19864661]",PBE,30.609330083642305,0.00140114277404648,42.0,1.0,0.05304749988953894,-0.05304749988953894,v0,hcp,30.593092599299997,0.0003204384,"[29.0524524164, 29.358267705, 29.6640829936, 29.9698982821, 30.2757135707, 30.5815288593, 30.8873441479, 31.1931594365, 31.4989747251, 31.8047900137, 32.1106053023]" diff --git a/benchmark-view/crossfilter_app/README b/benchmark-view/crossfilter_app/README new file mode 100644 index 0000000..9a4f9ab --- /dev/null +++ b/benchmark-view/crossfilter_app/README @@ -0,0 +1,11 @@ +A Hack based on a flash of thouhgt: + +The Crossfilter folder is actually all that is needed for the data visualization page of the website + +1. chnage working main.py to old_main.py + +2. copy contents of crossfilter to root crossfilter_app folder. + +3. change models.py to main.py and run the app and see what happends! ! + +Test in python3 diff --git a/benchmark-view/crossfilter_app/__init__.py b/benchmark-view/crossfilter_app/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/benchmark-view/crossfilter_app/crossview/__init__.py b/benchmark-view/crossfilter_app/crossview/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/benchmark-view/crossfilter_app/crossview/crossfilter/__init__.py b/benchmark-view/crossfilter_app/crossview/crossfilter/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/benchmark-view/crossfilter_app/crossview/crossfilter/models.py b/benchmark-view/crossfilter_app/crossview/crossfilter/models.py new file mode 100644 index 0000000..a958a25 --- /dev/null +++ b/benchmark-view/crossfilter_app/crossview/crossfilter/models.py @@ -0,0 +1,1030 @@ +from __future__ import absolute_import + +import logging + +import six +import pandas as pd +import numpy as np + +from bokeh.plotting import curdoc +from bokeh.models import ColumnDataSource, GridPlot, Panel, Tabs, Range +from bokeh.models.widgets import Select, MultiSelect, InputWidget + +# crossfilter plotting utilities +from .plotting import make_histogram_source, make_histogram, cross, hide_axes +from .plugins import CrossScatterPlugin, CrossBarPlugin, CrossLinePlugin + +# bokeh plotting functions +from bokeh.model import Model +from bokeh.core.properties import Dict, Enum, Instance, List, String, Any, Int + +logger = logging.getLogger(__name__) + +class DiscreteFacet(object): + """Pairing of a field and a unique value, representing a subset of the + total data.""" + + def __init__(self, field, value, label=None): + """Sets object properties and creates label if not provided. + + Args: + field (str): name of the column + value: unique value defined for the column + label (str, optional): string representation of the value + + """ + if label is None: + label = str(value) + self.field = field + self.label = label + self._value = value + + def __repr__(self): + return "%s:%s"%(self.field, self.label) + + def filter(self, df): + """Filters the provided DataFrame to the subset corresponding to value. + + Args: + df (DataFrame): contains a column of ``field`` + + Returns: + DataFrame: filtered to rows, where column ``field`` has values + equal to ``_value``. + + """ + return df[df[self.field] == self._value] + + +class ContinuousFacet(DiscreteFacet): + """Represents a range of values for a field in a DataFrame.""" + + def __init__(self, field, value, bins, label=None): + """Calls parent ``DiscreteFacet`` and stores bins for later filtering. + + Args: + field (str): name of the column + value (str): center of range of values in the column + bins (list[float]): start and inclusive stop value for the bin + label (str, optional): string representation + + """ + super(ContinuousFacet, self).__init__(field, value, label=label) + self.bins = bins + + def filter(self, df): + """Filters the provided DataFrame to the subset corresponding to bins. + + Args: + df (DataFrame): contains a column of ``field`` + + Returns: + DataFrame: filtered to rows, where column ``field`` has values + within the bounds of ``bins``. + + """ + if self.bins[0] is not None: + df = df[df[self.field] > self.bins[0]] + if self.bins[1] is not None: + df = df[df[self.field] <= self.bins[1]] + return df + + +class CrossFilter(Model): + """Interactive filtering and faceting application with multiple plot types""" + + # identify properties for the data + columns = List(Dict(String, Any)) + data = Instance(ColumnDataSource) + filtered_data = Instance(ColumnDataSource) + head = Instance(ColumnDataSource) + + # list of datasources to use for filtering widgets + filter_sources = Dict(String, Instance(ColumnDataSource)) + + # list of columns we are filtering + filtering_columns = List(String) + + # dict of column name to filtering widgets + filter_widgets = Dict(String, Instance(Model)) + + # dict which aggregates all the selections from the different filtering + # widgets + filtered_selections = Dict(String, Dict(String, Any)) + + # list of facet vars + facet_x = List(String, default=[]) + facet_y = List(String, default=[]) + facet_tab = List(String, default=[]) + + # the displayed plot object + plot = Instance(Model) + x_range = Instance(Range) + y_range = Instance(Range) + + # configuration properties for the plot + plot_type = Enum("line", "scatter", "bar") + plot_map = {'line': CrossLinePlugin, + 'scatter': CrossScatterPlugin, + 'bar': CrossBarPlugin} + x = String + y = String + agg = String + color = String + title = String + height = Int() + width = Int() + + # identify the selector/drop-down properties + plot_selector = Instance(Select) + x_selector = Instance(Select) + y_selector = Instance(Select) + agg_selector = Instance(Select) + + def __init__(self, *args, **kwargs): + # print ("__init__") + """Creates original and filtered ColumnDataSource and handles defaults. + + The df and starting configuration are only provided the first time + init is called, within the create method. + + Kwargs: + df (DataFrame): the data to use in the crossfilter app + plot_type (str, optional): starting plot type + agg (str, optional): starting aggregation type + + """ + if 'df' in kwargs: + self._df = kwargs.pop('df') + print "what is understood from the df", self._df + + # initialize a "pure" and filtered data source based on df + data_source = self.query("http://0.0.0.0:7000/bench/col/dict/all") + print "query successful" + kwargs['head'] = ColumnDataSource(data=self._df) + kwargs['data'] = ColumnDataSource(data=data_source) + kwargs['filtered_data'] = ColumnDataSource(data=data_source) + + # default plot type + if 'plot_type' not in kwargs: + kwargs['plot_type'] = "scatter" + + # default aggregation type + if 'agg' not in kwargs: + kwargs['agg'] = 'sum' + + if 'plot_map' in kwargs: + self.plot_map = kwargs.pop('plot_map') + + super(CrossFilter, self).__init__(**kwargs) + + def query(self, endpoint): + # print ("query") + import httplib + import json + import traceback + import requests + + conn = httplib.HTTPConnection('0.0.0.0', 7000) + conn.request("GET", endpoint) + response = conn.getresponse() + data = response.read() + conn.close() + try: + data_json = json.loads(data) + return data_json['content'] + except: + # print (traceback.print_exc()) + return None + + @classmethod + def create(cls, **kwargs): + print "create" + """Performs all one-time construction of bokeh objects. + + This classmethod is required due to the way that bokeh handles the + python and javascript components. The initialize method will be + called each additional time the app is updated (including once in + the create method), but the Model infrastructure will find that + the object already exists in any future calls, and will not create a + new object. + + Kwargs: + df (DataFrame): the data to use in the crossfilter app + plot_type (str, optional): starting plot type + agg (str, optional): starting aggregation type + + """ + obj = cls(**kwargs) + print "executes" + obj.set_metadata() + choices = obj.make_plot_choices() + print "choices set" + obj.update_plot_choices(choices) + print "setting plot" + obj.set_plot() + obj.set_input_selector() + print "all set and return object" + return obj + + def set_input_selector(self): + # print ("set_input_selector") + """Creates and configures each selector (drop-down menu).""" + col_names = [x['name'] for x in self.columns] + col_names.append('None') + + self.plot_selector = Select.create( + title="PlotType", + name="plot_type", + value=self.plot_type, + options=["line", "scatter", "bar"], + ) + + self.x_selector = Select.create( + name="x", + value=self.x, + options=col_names, + ) + + self.y_selector = Select.create( + name="y", + value=self.y, + options=col_names, + ) + + self.agg_selector = Select.create( + name='agg', + value=self.agg, + options=['sum', 'mean', 'last', 'count', 'percent'], + ) + + def update_plot_choices(self, input_dict): + # print ("update_plot_choices") + """Sets object attributes corresponding to input_dict's values. + + Args: + input_dict (dict): dict with x, y, and plot_type keys + + """ + for k, v in input_dict.items(): + if getattr(self, k) is None: + setattr(self, k, v) + + def get_plot_class(self): + # print ("get_plot_class") + """Return the class for the current plot selection.""" + return self.plot_map[self.plot_type] + + def column_descriptor_dict(self): + # print ("column_descriptor_dict") + """Creates column stats dict with keys of column names. + + Returns: + dict: dict with key per column in data, where values are column stats + + """ + column_descriptors = {} + for x in self.columns: + column_descriptors[x['name']] = x + return column_descriptors + + @property + def continuous_columns(self): + # print ("continuous_columns") + """Returns list of column descriptors for the non-Discrete columns. + + Returns: + list(dict): list of dicts, containing metadata about columns + + """ + return [x for x in self.columns if x['type'] != 'DiscreteColumn'] + + @property + def discrete_columns(self): + # print ("discrete_columns") + """Returns list of column descriptors for the Discrete columns. + + Returns: + list(dict): list of dicts, containing metadata about columns + + """ + return [x for x in self.columns if x['type'] == 'DiscreteColumn'] + + def make_plot_choices(self): + # print ("make_plot_choices") + """Selects first two continuous columns for x,y during initial setup + + Returns: + dict: x, y, and plot_type keys and values for initial setup + + """ + # prefer continuous columns to initialize with, otherwise use what we have + if len(self.continuous_columns) > 1: + x, y = [x['name'] for x in self.continuous_columns[:2]] + else: + x, y = [x['name'] for x in self.columns[:2]] + + return {'x': x, 'y': y, 'plot_type': 'scatter'} + + def set_plot(self): + # print ("set_plot") + """Makes and sets the plot based on the current configuration of app.""" + self.update_xy_ranges(source=self.df) + plot = self.make_plot() + self.plot = plot + curdoc()._add_all() + + def make_plot(self): + # print ("make_plot") + """Makes the correct plot layout type, based on app's current config. + + Returns: + Model: one plot, grid of plots, or tabs of plots/grids of plots + + """ + if self.facet_tab: + facets = self.make_facets(dimension='tab') + + # generate a list of panels, containing plot/plots for each facet + tabs = [self.make_tab(content=self.create_plot_page( + tab_facet=facet), tab_label=self.facet_title(facet)) for facet + in facets] + return Tabs(tabs=tabs) + else: + return self.create_plot_page() + + def create_plot_page(self, tab_facet=None): + # print ("create_plot_page") + """Generates a single visible page of a plot or plots. + + Args: + tab_facet (DiscreteFacet or ContinuousFacet): a facet to filter on + + Returns: + Model: a single or grid of plots + + """ + # no faceting + if all([len(self.facet_x) == 0, + len(self.facet_y) == 0]): + plot_page = self.make_single_plot(facet=tab_facet) + + # x xor y faceting + if all([(len(self.facet_x) != 0) ^ (len(self.facet_y) != 0)]): + plot_page = self.make_1d_facet_plot(facet=tab_facet) + + # x and y faceting + if all([len(self.facet_x) != 0, + len(self.facet_y) != 0]): + plot_page = self.make_2d_facet_plot(facet=tab_facet) + + if isinstance(plot_page, GridPlot): + self.apply_grid_style(plot_page) + + return plot_page + + @staticmethod + def make_tab(content, tab_label): + # print ("make_tab") + """Creates a container for the contents of a tab. + + Args: + content (Model): the primary content of the tab + tab_label (str): the text to place in the tab + + Returns: + Panel: represents a single tab in a group of tabs + + """ + return Panel(child=content, title=tab_label) + + def make_facets(self, dimension): + # print ("make_facets") + """Creates combination of all facets for the provided dimension + + Args: + dimension (str): name of the dimension to create facets for + + Returns: + list(list(DiscreteFacet or ContinuousFacet)): list of list of + unique facet combinations + + """ + if dimension == 'x': + facets = self.facet_x + elif dimension == 'y': + facets = self.facet_y + else: + facets = self.facet_tab + + # create facets for each column + column_descriptor_dict = self.column_descriptor_dict() + all_facets = [[]] + for field in facets: + + # create facets from discrete columns + if column_descriptor_dict[field]['type'] == 'DiscreteColumn': + field_facets = [DiscreteFacet(field, val) for val in + np.unique(self.df[field].values)] + + # combine any facets as required + all_facets = cross(all_facets, field_facets) + else: + # create quantile based discrete data and pairs of bins + categorical, bins = pd.qcut(self.df[field], 4, retbins=True) + cats = categorical.cat.categories + bins = [[bins[idx], bins[idx + 1]] for idx in + range(len(bins) - 1)] + bins[0][0] = None + + # create list of facets + field_facets = [ContinuousFacet(field, value, bin) for + bin, value in zip(bins, cats)] + + # combine any facets as required + all_facets = cross(all_facets, field_facets) + + return all_facets + + @staticmethod + def facet_title(facets): + # print ("facet_title") + """Joins list of facets by commas. + + Args: + facets (list(DiscreteFacet or ContinuousFacet)): list of facets, + which are a combination of column and unique value within it + + Returns: + str: string representation of the combination of facets + + """ + title = ",".join([str(x) for x in facets]) + return title + + def facet_data(self, facets, df=None): + # print ("facet_data") + """Filters data to the rows associated with the given facet. + + Args: + facets (list(DiscreteFacet or ContinuousFacet)): list of facets, + which are a combination of column and unique value within it + df (DataFrame, optional): data to be filtered on + + Returns: + DataFrame: filtered DataFrame based on provided facets + + """ + if df is None: + df = self.filtered_df + for f in facets: + df = f.filter(df) + return df + + def make_1d_facet_plot(self, facet=None): + # print ("make_1d_facet_plot") + """Creates the faceted plots when a facet is added to the x axis. + + Returns: + GridPlot: a grid of plots, where each plot has subset of data + + """ + if self.facet_x: + all_facets = self.make_facets('x') + else: + all_facets = self.make_facets('y') + + plots = [] + + # loop over facets and create single plots for data subset + for facets in all_facets: + title = self.facet_title(facets) + + if facet: + facets += facet + + # if len(self.filter_widgets) == 0: + # filtered_df = self.query('/bench/col/dict/bare') + # else: + filtered_df = self.df + + df = self.facet_data(facets, filtered_df) + plot = self.make_single_plot( + df=df, title=title, plot_height=200, plot_width=200, + tools="pan,wheel_zoom,reset", facet=facets + ) + + # append single plot to list of plots + plots.append(plot) + + # create squarish grid based on number of plots + chunk_size = int(np.ceil(np.sqrt(len(plots)))) + + # create list of lists of plots, where each list of plots is a row + grid_plots = [] + for i in range(0, len(plots), chunk_size): + chunk = plots[i:i + chunk_size] + grid_plots.append(chunk) + + self.hide_internal_axes(grid_plots) + + # return the grid as the plot + return GridPlot(children=grid_plots, plot_width=200*chunk_size) + + def make_2d_facet_plot(self, facet=None): + # print ("make_2d_facet_plot") + """Creates the grid of plots when there are both x and y facets. + + Returns: + GridPlot: grid of x and y facet combinations + + """ + # ToDo: gracefully handle large combinations of facets + all_facets_x = self.make_facets('x') + all_facets_y = self.make_facets('y') + + grid_plots = [] + + # y faceting down column + for facets_y in all_facets_y: + + # x faceting across row + row = [] + for facets_x in all_facets_x: + + # build the facets and title + facets = facets_x + facets_y + title = self.facet_title(facets) + + # must filter by any extra facets provided for facet tab + if facet: + filter_facets = facets + facet + else: + filter_facets = facets + + # if len(self.filter_widgets) == 0: + # filtered_df = self.query('/bench/col/dict/bare') + # else: + filtered_df = self.df + + df = self.facet_data(filter_facets, filtered_df) + plot = self.make_single_plot( + df=df, title=title, plot_height=200, plot_width=200, + tools="pan,wheel_zoom,reset", facet=facets + ) + row.append(plot) + + # append the row to the list of rows + grid_plots.append(row) + + self.hide_internal_axes(grid_plots) + + # return the grid of plots as the plot + return GridPlot(children=grid_plots, plot_width=200*len(all_facets_x)) + + @staticmethod + def apply_facet_style(plot): + # print ("apply_facet_style") + """Applies facet-specific style for a given plot. + + Override this method to modify the look of a customized CrossFilter + for all plugins. Or, apply custom styles in the plugin, since the + plugin will be told if it is currently being faceted. + + """ + plot.title_text_font_size = "9pt" + plot.min_border = 0 + + def apply_single_plot_style(self, plot): + # print ("apply_single_plot_style") + """Applies styles when we have only one plot. + + Override this method to modify the look of a customized CrossFilter + for all plugins. + + """ + plot.min_border_left = 60 + + def apply_grid_style(self, grid_plot): + # print ("apply_grid_style") + """Applies facet-specific style for the grid of faceted plots. + + Override this method to modify the look of a customized CrossFilter + for all plugins. Or, apply custom styles in the plugin, since the + plugin will be told if it is currently being faceted. + + """ + grid_plot.title_text_font_size = "12pt" + grid_plot.title_text_font_style = "bold" + grid_plot.title = self.title + + @staticmethod + def hide_internal_axes(grid_plots): + # print ("hide_internal_axes") + """Hides the internal axes for a grid of plots. + + Args: + grid_plots (list(list(Figure))): list of rows (list), containing plots + + """ + for i, row in enumerate(grid_plots): + is_bottom = i + 1 == len(grid_plots) + + for j, plot in enumerate(row): + if j != 0: + if is_bottom: + hide_axes(plot, axes='y') + else: + hide_axes(plot) + + elif j == 0 and not is_bottom: + hide_axes(plot, axes='x') + + def make_single_plot(self, df=None, title=None, + plot_width=700, + plot_height=680, + tools="pan,wheel_zoom,box_zoom,save,resize," + "box_select,reset", + facet=None): + # print ("make_single_plot") + """Creates a plot based on the current app configuration. + + Args: + df (DataFrame, optional): data to use for the plot + title (str, optional): plot title + plot_width (float, optional): width of plot in pixels + plot_height (float, optional): height of plot in pixels + tools (str, optional): comma separated string of tool names + + Returns: + Model: the generated plot + + """ + faceting = False + + # df is not provided when we are not faceting + if df is None: + source = self.filtered_data + else: + df = self.facet_data(facets=facet, df=df) + + # create column data source with filtered df + source = ColumnDataSource(data=df) + faceting = True + + # check for tab faceting and filter if provided + if facet: + df = self.facet_data(facets=facet, df=df) + source = ColumnDataSource(data=df) + + # get the helper class for the plot type selected + plot_class = self.get_plot_class() + + # initialize the plugin class + plugin = plot_class(source=source, + title_text_font_size="12pt", + title_text_font_style = "bold", + plot_height=plot_height, + plot_width=plot_width, + tools=tools, + title=title, + x_range=self.x_range, + y_range=self.y_range, + facet=faceting, + crossfilter=self) + + # generate plot + plot = plugin.get_plot() + + # apply faceting-specific styling if required + if facet: + self.apply_facet_style(plot) + self.title = plugin.title + else: + self.apply_single_plot_style(plot) + self.title = plot.title + + return plot + + def update_xy_ranges(self, source): + # print ("update_xy_ranges") + """Updates common x_range, y_range to use for creating figures. + + Args: + source (ColumnDataSource): the source to return correct range for + + """ + plt_cls = self.get_plot_class() + x_range, y_range = plt_cls.make_xy_ranges(cf=self) + + # store x and y range from the plot class + self.x_range = x_range + self.y_range = y_range + + def plot_attribute_change(self, obj, attrname, old, new): + # print ("plot_attribute_change") + """Updates app's attribute and plot when view configuration changes. + + Args: + obj (Widget): the object that has an attribute change + attrname (str): name of the attribute + old (type): the previous value of unknown type + new (type): the new value of unknown type + + """ + setattr(self, obj.name, new) + self.set_plot() + + def facet_change(self, obj, attrname, old, new): + # print ("facet_change") + """Updates plot when any facet configuration changes. + + Args: + obj (Widget): the object that has an attribute change + attrname (str): name of the attribute + old (type): the previous value of unknown type + new (type): the new value of unknown type + + """ + self.set_plot() + + @property + def df(self): + # print ("df") + """The core data that is used by the app for plotting. + + Returns: + DataFrame: the original data structure + + """ + if hasattr(self, '_df'): + return self._df + else: + if self.data: + return self.data.to_df() + + @property + def filtered_df(self): + # print ("filtered_df") + """The subset of the data to use for plotting. + + Returns: + DataFrame: the original data structure + + """ + if hasattr(self, '_df'): + return self._df + else: + if self.filtered_data: + return self.filtered_data.to_df() + + def update(self, **kwargs): + # print ("update") + """Updates CrossFilter attributes each time the model changes. + + The events are setup each time so that we can add event handlers to + the selection/filtering widgets as they are added. + + """ + super(CrossFilter, self).update(**kwargs) + self.setup_events() + + def setup_events(self): + # print ("setup_events") + """Registers events each time the app changes state.""" + + # watch the app's filtering_columns attribute to setup filters + self.on_change('filtering_columns', self, 'setup_filter_widgets') + + # register any available filter widget + for obj in self.filter_widgets.values(): + if isinstance(obj, InputWidget): + obj.on_change('value', self, 'handle_filter_selection') + + # watch app column data source attribute for changes + for obj in self.filter_sources.values(): + obj.on_change('selected', self, 'handle_filter_selection') + + # selector event registration + if self.plot_selector: + self.plot_selector.on_change('value', self, 'plot_attribute_change') + if self.x_selector: + self.x_selector.on_change('value', self, 'plot_attribute_change') + if self.y_selector: + self.y_selector.on_change('value', self, 'plot_attribute_change') + if self.agg_selector: + self.agg_selector.on_change('value', self, 'plot_attribute_change') + + # register to watch the app's facet attributes + self.on_change('facet_x', self, 'facet_change') + self.on_change('facet_y', self, 'facet_change') + self.on_change('facet_tab', self, 'facet_change') + + def handle_filter_selection(self, obj, attrname, old, new): + # print ("handle_filter_selection") + """Filters the data source whenever a filter widget changes. + + Args: + obj (Widget): the object that has an attribute change + attrname (str): name of the attribute + old (type): the previous value of unknown type + new (type): the new value of unknown type + + """ + if len(self.filter_widgets) == 0: + df = self.query('/bench/col/dict/bare') + else: + df = self.df + + # loop over the column metadata + for descriptor in self.columns: + colname = descriptor['name'] + + # handle discrete selections + if descriptor['type'] == 'DiscreteColumn' and \ + colname in self.filter_widgets: + selected = self.filter_widgets[colname].value + if not selected: + continue + if isinstance(selected, six.string_types): + df = df[colname == selected] + else: + df = df[np.in1d(df[colname], selected)] + + # handle time or continuous selections + elif descriptor['type'] in ('TimeColumn', 'ContinuousColumn') and \ + colname in self.filter_widgets: + obj = self.filter_sources[colname] + + # hack because we don't have true range selection + if not obj.selected: + continue + + # TODO: (bev) This works until CF selections are not made on + # [multi]lines and [multi]patches + min_idx = np.min(obj.selected['1d']['indices']) + max_idx = np.max(obj.selected['1d']['indices']) + + min_val = obj.data['centers'][min_idx] + max_val = obj.data['centers'][max_idx] + df = df[(df[colname] >= min_val) & (df[colname] <= max_val)] + + # update filtered data and force plot update + for colname in self.data.column_names: + self.filtered_data.data[colname] = df[colname] + self.filtered_data._dirty = True + self.set_plot() + + def clear_selections(self, obj, attrname, old, new): + # print ("clear_selections") + """Updates filter widgets and sources as they are removed. + + Args: + obj (Widget): the object that has an attribute change + attrname (str): name of the attribute + old (type): the previous value of unknown type + new (type): the new value of unknown type + + """ + diff = set(old) - set(new) + column_descriptor_dict = self.column_descriptor_dict() + + # delete any removed filter widgets + if len(diff) > 0: + for col in diff: + metadata = column_descriptor_dict[col] + if metadata['type'] != 'DiscreteColumn': + del self.filter_sources[col] + del self.filter_widgets[col] + + # update the data based on latest changes + if diff: + self.handle_filter_selection(obj, attrname, old, new) + + def setup_filter_widgets(self, obj, attrname, old, new): + # print ("setup_filter_widgets") + """Creates new filter widget each time a new column is added to filters. + + Args: + obj (Widget): the object that has an attribute change + attrname (str): name of the attribute + old (type): the previous value of unknown type + new (type): the new value of unknown type + + """ + self.clear_selections(obj, attrname, old, new) + + # add new widget as required for each column set to filter on + column_descriptor_dict = self.column_descriptor_dict() + for col in self.filtering_columns: + + metadata = column_descriptor_dict[col] + if not col in self.filter_widgets: + + # discrete + if metadata['type'] == 'DiscreteColumn': + description = self.query('/bench/desc/single/{0}'.format(col)) + options = description['options'] + select = MultiSelect.create( + name=col, + options=options) + self.filter_widgets[col] = select + + # continuous + else: + col_query = self.query('/bench/col/single/{0}'.format(col)) + histogram = col_query['values'] + source = make_histogram_source(histogram) + self.filter_sources[col] = source + hist_plot = make_histogram(self.filter_sources[col], + plot_width=200, plot_height=100, + title_text_font_size='8pt', + tools='box_select' + ) + hist_plot.title = col + self.filter_widgets[col] = hist_plot + + curdoc()._add_all() + + def set_metadata(self): + # print ("set_metadata") + """Creates a list of dicts, containing summary info for each column. + + The descriptions are stored in the ``columns`` property. + + """ + descriptors = [] + + descriptions = self.query('/bench/desc/all') + if descriptions: + for description in descriptions: + # # print (description + # DiscreteColumn + if 'object' in description['df']['dtype']: + descriptors.append({ + 'type': "DiscreteColumn", + 'name': description['column'], + 'size': description['df']['count'], + 'unique': description['df']['unique'], + }) + + # TimeColumn + elif 'datetime64' in description['df']['dtype']: + descriptors.append({ + 'type': "TimeColumn", + 'name': description['column'], + 'size': description['df']['count'], + 'unique': description['df']['unique'], + }) + + # ContinuousColumn + else: + descriptors.append({ + 'type': "ContinuousColumn", + 'name': description['column'], + 'size': description['df']['count'], + }) + + # columns = self.df.columns + # for c in columns: + + # # get description for column from pandas DataFrame + # desc = self.df[c].describe() + + # # DiscreteColumn + # if self.df[c].dtype == object: + # descriptors.append({ + # 'type': "DiscreteColumn", + # 'name': c, + # 'size': desc['count'], + # 'unique': desc['unique'], + # # 'top': desc['top'], + # # 'freq': desc['freq'], + # }) + + # # TimeColumn + # elif self.df[c].dtype == np.datetime64: + # descriptors.append({ + # 'type': "TimeColumn", + # 'name': c, + # 'size': desc['count'], + # 'unique': desc['unique'], + # # 'first': desc['first'], + # # 'last': desc['last'], + # }) + + # # ContinuousColumn + # else: + # descriptors.append({ + # 'type': "ContinuousColumn", + # 'name': c, + # 'size': desc['count'], + # # 'mean': "%.2f"%desc['mean'], + # # 'std': "%.2f"%desc['std'], + # # 'min': "%.2f"%desc['min'], + # # 'max': "%.2f"%desc['max'], + # }) + + # # print (str(descriptors) + + self.columns = descriptors diff --git a/benchmark-view/crossfilter_app/crossview/crossfilter/plotting.py b/benchmark-view/crossfilter_app/crossview/crossfilter/plotting.py new file mode 100644 index 0000000..85b8bb0 --- /dev/null +++ b/benchmark-view/crossfilter_app/crossview/crossfilter/plotting.py @@ -0,0 +1,247 @@ +from __future__ import absolute_import + +import numpy as np +import pandas as pd + +from bokeh.models import ColumnDataSource, BoxSelectTool +from bokeh.plotting import figure + +def cross(start, facets): + """Creates a unique combination of provided facets. + A cross product of an initial set of starting facets with a new set of + facets. + + Args: + start (list): List of lists of facets + facets (list): List of facets + + Returns: + list: a list of lists of unique combinations of facets + + """ + new = [[facet] for facet in facets] + result = [] + for x in start: + for n in new: + result.append(x + n) + return result + + +def hide_axes(plot, axes=('x', 'y')): + """Hides the axes of the plot by setting component alphas. + + Args: + plot (Figure): a valid figure with x and y axes + axes (tuple or list or str, optional): the axes to hide the axis on. + + """ + if isinstance(axes, str): + axes = tuple(axes) + + for label in axes: + axis = getattr(plot, label + 'axis') + axis = axis[0] + axis.major_label_text_alpha = 0.0 + axis.major_label_text_font_size = '0pt' + axis.axis_line_alpha = 0.0 + axis.major_tick_line_alpha = 0.0 + axis.minor_tick_line_alpha = 0.0 + + plot.min_border = 0 + + +def make_histogram_source(series): + """Creates a ColumnDataSource containing the bins of the input series. + + Args: + series (:py:class:`~pandas.Series`): description + + Returns: + ColumnDataSource: includes bin centers with count of items in the bins + + """ + counts, bins = np.histogram(series, bins=50) + centers = pd.rolling_mean(bins, 2)[1:] + + return ColumnDataSource(data={'counts': counts, 'centers': centers}) + + +def make_continuous_bar_source(df, x_field, y_field='None', df_orig=None, agg='count'): + """Makes discrete, then creates representation of the bars to be plotted. + + Args: + df (DataFrame): contains the data to be converted to a discrete form + x_field (str): the column in df that maps to the x dim of the plot + y_field (str, optional): the column in df that maps to the y dim of the plot + df_orig (DataFrame, optional): original dataframe that the subset ``df`` was + generated from + agg (str, optional): the type of aggregation to be used + + Returns: + ColumnDataSource: aggregated, discrete form of x,y values + + """ + # Generate dataframe required to use the categorical bar source function + idx, edges = pd.cut(x=df[x_field], bins=8, retbins=True, labels=False) + labels, edges = pd.cut(x=df[x_field], bins=8, retbins=True) + centers = pd.rolling_mean(edges, 2)[1:] + + # store new value of x as the bin it fell into + df['centers'] = centers[idx] + df['labels'] = labels + + # After making it discrete, create the categorical bar source + return make_categorical_bar_source(df, 'labels', y_field, df_orig, agg) + + +def make_categorical_bar_source(df, x_field, y_field='None', df_orig=None, agg='count'): + """Creates representation of the bars to be plotted. + + Args: + df (DataFrame): contains the data to be converted to a discrete form + x_field (str): the column in df that maps to the x dim of the plot + y_field (str, optional): the column in df that maps to the y dim of the plot + df_orig (DataFrame, optional): original dataframe that the subset ``df`` was + generated from + agg (str, optional): the type of aggregation to be used + + Returns: + ColumnDataSource: aggregated, discrete form of x,y values + + """ + if df_orig is None: + df_orig = df + + # handle x-only aggregations separately + if agg == 'percent' or agg == 'count': + # percent aggregations are a special case, since pandas doesn't directly support + if agg == 'percent': + + # percent on discrete col using proportion, on continuous using percent + if df[y_field].dtype == 'object': + agg_func = 'count' + else: + agg_func = 'sum' + + total = float(getattr(df_orig[y_field], agg_func)()) + series = df.groupby(x_field)[y_field].apply(lambda x, total_agg=total, f=agg_func: + 100*(getattr(x, f)()/total_agg)) + elif agg == 'count': + series = df.groupby(x_field).size() + else: + raise ValueError('Unrecognized Aggregation Type for Y of "None"') + + # here we have a series where the values are the aggregation for the index (bars) + result = pd.DataFrame(data={'labels': series.index, 'heights': series.values}) + + # x and y aggregations + else: + # Get the y values after grouping by the x values + group = df.groupby(x_field)[y_field] + aggregate = getattr(group, agg) + result = aggregate().reset_index() + result.rename(columns={x_field: 'labels', y_field: 'heights'}, inplace=True) + + return ColumnDataSource(data=result) + + +def make_factor_source(series): + """Generate data source that is based on the unique values in the series. + + Args: + series (:py:class:`~pandas.Series`): contains categorical-like data + + Returns: + ColumnDataSource: contains the unique values from the series + + """ + return ColumnDataSource(data={'factors': series.unique()}) + + +def make_bar_plot(datasource, counts_name="counts", + centers_name="centers", + bar_width=0.7, + x_range=None, + y_range=None, + plot_width=500, plot_height=500, + tools="pan,wheel_zoom,box_zoom,save,resize,box_select,reset", + title_text_font_size="12pt"): + """Utility function to set/calculate default parameters of a bar plot. + + Args: + datasource (ColumnDataSource): represents bars to plot + counts_name (str): column corresponding to height of the bars + centers_name (str): column corresponding to the location of the bars + bar_width (float): the width of the bars in the bar plot + x_range (list): list of two values, the min and max of the x axis range + plot_width (float): width of the plot in pixels + plot_height (float): height of the plot in pixels + tools (str): comma separated tool names to add to the plot + title_text_font_size (str): size of the plot title, e.g., '12pt' + + Returns: + figure: plot generated from the provided parameters + + """ + top = np.max(datasource.data[counts_name]) + + # Create the figure container + plot = figure( + title="", title_text_font_size=title_text_font_size, + plot_width=plot_width, plot_height=plot_height, + x_range=x_range, y_range=[0, top], tools=tools) + + # Get the bar values + y = [val/2.0 for val in datasource.data[counts_name]] + + # Generate the bars in the figure + plot.rect(centers_name, y, bar_width, counts_name, source=datasource) + + plot.min_border = 0 + plot.h_symmetry = False + plot.v_symmetry = False + + for tool in plot.select(type=BoxSelectTool): + tool.dimensions = ['width'] + + return plot + + +def make_histogram(datasource, + counts_name="counts", + centers_name="centers", + x_range=None, + bar_width=0.7, + plot_width=500, + plot_height=500, + min_border=40, + tools=None, + title_text_font_size="12pt"): + """Utility function to create a histogram figure. + + This is used to create the filter widgets for continuous data in + CrossFilter. + + Args: + datasource (ColumnDataSource): represents bars to plot + counts_name (str): column corresponding to height of the bars + centers_name (str): column corresponding to the location of the bars + x_range (list): list of two values, the min and max of the x axis range + bar_width (float): the width of the bars in the bar plot + plot_width (float): width of the plot in pixels + plot_height (float): height of the plot in pixels + min_border (float): minimum border width of figure in pixels + tools (str): comma separated tool names to add to the plot + title_text_font_size (str): size of the plot title, e.g., '12pt' + + Returns: + figure: histogram plot generated from the provided parameters + + """ + start = np.min(datasource.data[centers_name]) - bar_width + end = np.max(datasource.data[centers_name]) - bar_width + plot = make_bar_plot( + datasource, counts_name=counts_name, centers_name=centers_name, + x_range=[start, end], plot_width=plot_width, plot_height=plot_height, + tools=tools, title_text_font_size=title_text_font_size) + return plot diff --git a/benchmark-view/crossfilter_app/crossview/crossfilter/plugins.py b/benchmark-view/crossfilter_app/crossview/crossfilter/plugins.py new file mode 100644 index 0000000..d082d81 --- /dev/null +++ b/benchmark-view/crossfilter_app/crossview/crossfilter/plugins.py @@ -0,0 +1,339 @@ +from __future__ import absolute_import + +import numpy as np + +from bokeh.models import FactorRange, DataRange1d, Range1d, BoxSelectTool + +from bokeh.plotting import figure + +from .plotting import make_continuous_bar_source, make_categorical_bar_source + + +class CrossFilterPlugin(object): + """An adapter class between CrossFilter and custom plotting plugins. + + This adapter is used to provide a consistent interface between single + plot generation and CrossFilter through some core behaviors. A simple + plugin can simply override only make_plot to provide a custom plot type. + + See CrossLinePlugin for a simple example. + + Kwargs: + crossfilter (CrossFilter): reference to the CrossFilter app + source (ColumnDataSource): the pre-filtered source for the plot + x_range (Range): the common x range to use for plotting + y_range (Range): the common y range to use for plotting + title_text_font_size (str): string of font size, e.g., "12pt" + title_text_font_style (str): string of font style, e.g., "bold" + plot_height (float): height of the plot in pixels + plot_width (float): width of the plot in pixels + tools (str): the string of tools to add to the plot + facet (bool): whether or not we are faceting + title (str, optional): overrides the derived title property + + """ + def __init__(self, *args, **kwargs): + self.cf = kwargs.pop('crossfilter', None) + self.x = self.cf.x + self.y = self.cf.y + self.source = kwargs.pop('source', None) + self.facet = kwargs.pop('facet', False) + self.col_meta = self.cf.column_descriptor_dict() + self.valid_plot = True + + # get any provided title, else generate our own + self._title = kwargs.pop('title', None) + if not self._title: + self._title = self.title + self.args = args + self.kwargs = kwargs + + def get_plot(self): + """Validates, makes blank figure, then makes the plot as necessary. + + It is meant for this method to not be overridden. The methods called + by this method should be overridden first, and this one only as a last + resort, since it provides a common interface for plugins. + + """ + self.validate_plot() + plot = self.make_figure(**self.kwargs) + if self.valid_plot: + plot = self.make_plot(plot) + self.format_plot(plot) + return plot + + def make_figure(self, **kwargs): + """Generates the blank figure for the provided options. + + The purpose of this is to avoid for child plugins to have to repeat + this functionality. It is likely to not need to override this behavior. + + """ + kwargs['title'] = self._title + return figure(**kwargs) + + def make_plot(self, plot): + """Plots the data into the provided plot. + + The primary method to be overridden to create a custom plugin. + + """ + plot.scatter(self.x, self.y, source=self.source) + return plot + + def format_plot(self, plot): + """Performs some standard formatting as required. + + Override to disable default behavior. This should contain common formatting. + """ + # rotate labels if any are longer than some length + if self.x_type == 'DiscreteColumn': + lengths = [len(x) for x in set(self.source.data[self.x])] + if max(lengths) > 3: + plot.xaxis.major_label_orientation = np.pi / 3 + + def validate_plot(self): + """Called before plotting data to check to see if we should plot. + + If valid_plot is set to False in this method, then the figure will + still be created, but no data will be plotted. + + """ + if self.x_type is None or self.y_type is None: + self._title = 'Make additional column selections.' + self.valid_plot = False + return + + if not self.facet: + if len(self.source.data[self.x]) == 0 or len( + self.source.data[self.y]) == 0: + self._title = 'All data is filtered out.' + self.valid_plot = False + + @property + def title(self): + """Generates a title for the plot, and can be overridden per plugin. + + Returns: + str: a string to place into the title that provides additional plot info + + """ + return "%s vs. %s" % (self.y.title(), self.x.title()) + + @staticmethod + def get_col_type(metadata, col_name): + if col_name == 'None': + return None + else: + return metadata[col_name]['type'] + + @property + def x_type(self): + return self.get_col_type(self.col_meta, self.x) + + @property + def y_type(self): + return self.get_col_type(self.col_meta, self.y) + + @property + def df(self): + return self.source.to_df() + + @staticmethod + def make_xy_ranges(cf): + """Generates x/y ranges specific to the plot type for the plugin. + + This method is static so that CrossFilter can generate common ranges + to construct multiple plots from the plugin. A custom plugin would + override this method if it has unique range types. + + Args: + cf (CrossFilter): a reference to the CrossFilter object, used to + get data to generate the ranges. + + Returns: + (Range, Range): returns xrange, yrange + + """ + col_meta = cf.column_descriptor_dict() + df = cf.df + + if cf.x != 'None' and cf.y != 'None': + if col_meta[cf.x]['type'] == 'DiscreteColumn': + x_range = FactorRange(factors=sorted(set(df[cf.x]))) + else: + x_vals = df[cf.x] + x_range = DataRange1d(start=x_vals.min(), end=x_vals.max()) + + if col_meta[cf.y]['type'] == 'DiscreteColumn': + y_range = FactorRange(factors=sorted(set(df[cf.y]))) + else: + y_vals = df[cf.y] + y_range = DataRange1d(start=y_vals.min(), end=y_vals.max()) + else: + x_range, y_range = cf.x_range, cf.y_range + + return x_range, y_range + + +class CrossBarPlugin(CrossFilterPlugin): + """Bar plot plugin for CrossFilter.""" + + y_agg_types = ['count', 'percent'] + + def __init__(self, *args, **kwargs): + + cf = kwargs['crossfilter'] + self.agg = cf.agg + super(CrossBarPlugin, self).__init__(*args, **kwargs) + self.bar_width = 1 + + if self.y == 'None': + self.agg_col = self.x + else: + self.agg_col = self.y + + def make_plot(self, plot): + self.transform_data() + + # centers of the rectangles are half way down from the top of them + y = [val/2.0 for val in self.source.data['heights']] + + plot.rect('labels', y, self.bar_width, 'heights', source=self.source) + plot.h_symmetry = False + plot.v_symmetry = False + + for tool in plot.select(type=BoxSelectTool): + tool.dimensions = ['width'] + + return plot + + def transform_data(self): + """Generates custom source that describes the bars to be plotted. + + The x axis can either be discrete or continuous. If it is continuous, + we must convert it to a discrete format first. + """ + width_factor = 0.8 + + if self.col_meta[self.x]['type'] != 'DiscreteColumn': + self.source = make_continuous_bar_source(self.df, self.x, self.agg_col, + self.cf.df, self.agg) + self.bar_width = width_factor + else: + self.source = make_categorical_bar_source(self.df, self.x, self.agg_col, + self.cf.df, self.agg) + self.bar_width = width_factor + + def format_plot(self, plot): + """Performs some standard formatting as required. + + Override to disable default behavior. This should contain common formatting. + """ + # rotate labels + plot.xaxis.major_label_orientation = np.pi / 3 + + def validate_plot(self): + """Catches bad configurations. + + Note: The last if statement's title will be used. + """ + self.valid_plot, title = self.valid_selections(self.col_meta, self.x, + self.y, self.agg) + if title is not None: + self._title = title + + if self.df.empty: + if not self.facet: + self._title = 'All data is filtered out' + self.valid_plot = False + + @staticmethod + def valid_selections(metadata, x, y, agg_type): + """Factors out functionality required before initialization. + + Both the initialized plugin and the xy range methods do some validity + checking. This factors some of the common checking out so that the + validity checking isn't repeated in both areas. + """ + # x_type = CrossBarPlugin.get_col_type(metadata, x) + y_type = CrossBarPlugin.get_col_type(metadata, y) + if x == 'None': + return False, 'Select discrete or continuous column for X.' + elif x == y and agg_type not in CrossBarPlugin.y_agg_types: + return False, 'X and Y must be different columns.' + elif ((y == 'None' and agg_type not in CrossBarPlugin.y_agg_types) or + (y_type == 'DiscreteColumn' and agg_type not in CrossBarPlugin.y_agg_types)): + return False, ('Select continuous y column to aggregate by %s.' % + agg_type.title()) + else: + return True, None + + @property + def title(self): + if self.y == 'None': + return "%s (%s)" % (self.agg.title(), self.x.title()) + else: + return "%s (%s) by %s" % (self.agg.title(), self.y.title(), + self.x.title()) + + @staticmethod + def make_xy_ranges(cf, bar_width=0.7): + """Returns ranges for a given bar width. + + Args: + cf (CrossFilter): the CrossFilter app + bar_width (float, optional): width of bar that affects ranges + + Returns: + (xrange, yrange): the x/y ranges to use for the bar plot + + """ + df = cf.filtered_df + col_meta = cf.column_descriptor_dict() + + if cf.y == 'None': + agg_col = cf.x + else: + agg_col = cf.y + + # only return ranges if we have valid selections + is_valid, _ = CrossBarPlugin.valid_selections(col_meta, cf.x, agg_col, + cf.agg) + if is_valid: + + # create x range + if col_meta[cf.x]['type'] != 'DiscreteColumn': + source = make_continuous_bar_source(df, cf.x, agg_col, cf.df, cf.agg) + else: + source = make_categorical_bar_source(df, cf.x, agg_col, cf.df, cf.agg) + x_range = FactorRange(factors=source.data['labels']) + + # create y range + if cf.agg == 'percent': + top = 100 + else: + top = np.max(source.data['heights']) * 1.05 + y_range = Range1d(start=0, end=top) + return x_range, y_range + else: + return cf.x_range, cf.y_range + + +class CrossScatterPlugin(CrossFilterPlugin): + """Scatter plot plugin for CrossFilter.""" + + def __init__(self, *args, **kwargs): + super(CrossScatterPlugin, self).__init__(*args, **kwargs) + + +class CrossLinePlugin(CrossFilterPlugin): + """Line plot plugin for CrossFilter.""" + + def __init__(self, *args, **kwargs): + super(CrossLinePlugin, self).__init__(*args, **kwargs) + + def make_plot(self, plot): + plot.line(self.x, self.y, source=self.source) + return plot diff --git a/benchmark-view/crossfilter_app/description.html b/benchmark-view/crossfilter_app/description.html new file mode 100644 index 0000000..b4a9055 --- /dev/null +++ b/benchmark-view/crossfilter_app/description.html @@ -0,0 +1,101 @@ + + + + + DFT Benchmarking Collaborative Data Analytics +

example graphic

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example graphic

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Welcome to Collaborative Data Analysis

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Here is a collaborative web platform hosted by the Hennig Materials Theory Group for the Materials Genome Initiative to use high throughput frameworks to benchmark DFT methods. +

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Data Selection Portal

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Filter the data according to the choices in the list down menus and the radio buttons and then select one of the analysis tools

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Data Selection Portal

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PLACEHOLDER: This is where the intearactive form will appear

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+ PLACEHOLDER: This is where the tabular output of dataframe of the query will appear +

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Tables

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Tabluar result of the query to the API/database/csv will be shown here:

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ItemDescription
Item 1Description of Item 1
Item 2Description of Item 2
Item 3Description of Item 3
Item 4Description of Item 4
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Form Elements

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Choose analysis tool for the data

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Choose Analysis tool

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PLACEHOLDER: The button here will launch the Shiny app based on the selection by the user, need to figure out how it will select based on the selection chosen in form settings +

 

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+
+ +
+ + + + + + + diff --git a/benchmark-view/crossfilter_app/dev_main.py b/benchmark-view/crossfilter_app/dev_main.py new file mode 100644 index 0000000..fb4ebd5 --- /dev/null +++ b/benchmark-view/crossfilter_app/dev_main.py @@ -0,0 +1,322 @@ +from os.path import dirname, join + +import pandas as pd + +from bokeh.layouts import row, widgetbox, column +from bokeh.models import Select, Div, Column, HoverTool, ColumnDataSource +from bokeh.palettes import Spectral5 +from bokeh.plotting import curdoc, figure +from bokeh.sampledata.periodic_table import elements + +##### loading the data which the API needs to take care fo ###### +#from bokeh.sampledata.autompg import autompg + +#df = autompg.copy() + +SIZES = list(range(6, 22, 3)) +COLORS = Spectral5 + + +# data cleanup +#df.cyl = [str(x) for x in df.cyl] +#df.origin = [ORIGINS[x-1] for x in df.origin] + +#df['year'] = [str(x) for x in df.yr] +#del df['yr'] + +#df['mfr'] = [x.split()[0] for x in df.name] +#df.loc[df.mfr=='chevy', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='chevroelt', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='maxda', 'mfr'] = 'mazda' +#df.loc[df.mfr=='mercedes-benz', 'mfr'] = 'mercedes' +#df.loc[df.mfr=='toyouta', 'mfr'] = 'toyota' +#df.loc[df.mfr=='vokswagen', 'mfr'] = 'volkswagen' +#df.loc[df.mfr=='vw', 'mfr'] = 'volkswagen' +#del df['name'] + +df_obs = pd.read_csv('./Data/Data.csv') + +# single reference standard this can be an on request +# basis input as well +df_ref = pd.read_json('./Data/Ref.json') + +# dividing data into gneeral discretes, continuous and quantileables + +columns = sorted(df_obs.columns) +print columns +#discrete = [x for x in columns if df[x].dtype == object] +#print discrete +#continuous = [x for x in columns if x not in discrete] +#print continuous +#quantileable = [x for x in continuous if len(df[x].unique()) > 20] +#print quantileable +#################################################################### + +##divide data into plottables and non plottables (aggregates or 3D plottables) , keep it to 2D plottables for now, this is known from the column names themselves + +plottables = ['k-point', 'value', 'smearing'] + +non_plottables = [ x for x in columns if x not in plottables ] # for aggregates + +elements = np.unique(df_obs['element']) +exchanges = np.unique(df_obs['exchange']) +properties = np.unique(df_obs['property']) +codes = np.unique(df_obs['code']) + +# which sets of k-point and value to string together ? any unit transformations on the dataset values or k-point + +## have another dataframe (mongo collection) for the reference standards to compute the accuracy (uniquely identified by the element SAME standard should apply to all codes/exchanges/elements. + +def create_figure(): + + # read the data from the df + xs = df_obs[x.value].values + ys = df_obs[y.value].values + x_title = x.value.title() + y_title = y.value.title() + + # set autoscale, title and x-y labels of the plot + kw = dict() +# if x.value in discrete: +# kw['x_range'] = sorted(set(xs)) +# if y.value in discrete: +# kw['y_range'] = sorted(set(ys)) + + kw['title'] = "%s vs %s" % (x_title, y_title) + + p = figure(plot_height=600, plot_width=800, tools='pan,box_zoom,reset,hover', **kw) + p.xaxis.axis_label = x_title + + p.yaxis.axis_label = y_title + + + # sets the xaxis +# if x.value in discrete: + p.xaxis.major_label_orientation = pd.np.pi / 4 + + ## sizes and colors of the points for now turn them off + +# sz = 9 +# if size.value != 'None': +# groups = pd.qcut(df[size.value].values, len(SIZES)) +# sz = [SIZES[xx] for xx in groups.codes] + +# c = "#31AADE" +# if color.value != 'None': +# groups = pd.qcut(df[color.value].values, len(COLORS)) +# c = [COLORS[xx] for xx in groups.codes] +# p.circle(x=xs, y=ys, color=c, size=sz, line_color="white", alpha=0.6, hover_color='white', hover_alpha=0.5) + + # scatter plot of circles of the chosen values + p.circle(x=xs, y=ys, alpha=0.6, hover_color='white', hover_alpha=0.5) + + return p + + +def update(attr, old, new): + layout.children[1] = create_figure() + + + + +def update_crossfilter(tag): + ## options for the tag are: code, exchange, element, property + if tag == code: + # code selection redefines the element and exchange selection basically, shoudl include properties also but thta's uniform so ok for now + code_selected = code.value + df_obs = df_obs[df_obs['code']==code_selected] #by default crossfilters to all vasp code + + exchanges = np.unique(df_obs['exchange']) + elements = np.unique(df_obs['element']) + + element = Select(title='Element', value = elements[0], options=elements ) #### here is where the periodic table widget can be updated instead as well +# element.on_change('value', update_crossfilter(tag=element )) + exchange = Select(title='Exchange', value = exchanges[0], options=exchanges) +# exchange.on_change('value', update_crossfilter(tag=exchange)) + + elif tag == exchange: + # exchnage selection redefines the code and element selection basically + exchange_selected = exchange.value + df_obs = df_obs[df_obs['exchange']==exchange_selected] + + codes = np.unique(df_obs['code']) + elements = np.unique(df_obs['element']) + + code = Select(title='Code', value = codes[0], options=codes) +# code.on_change('value', update_crossfilter(tag=code)) + element = Select(title='Element', value = elements[0], options=elements ) #### here is where the periodic table widget can be updated instead as well +# element.on_change('value', update_crossfilter(tag=element) ) + + elif tag == element: + # element selection redefines the exchange and code selection + element_selected = element.value # can in principle be a list also from a multi-select ? + df_obs = df_obs[df_obs['element']==element_selected] + + exchanges = np.unique(df_obs['exchange']) + exchange = Select(title='Exchange', value = exchanges[0], options=exchanges) + + codes = np.unique(df_obs['code']) + code = Select(title='Code', value = codes[0], options=codes) + + properties = np.unique(df_obs['property']) # redundant because this will mostly not change + prop = Select(title='Property', value = 'B', options=properties ) ####once the property is selected correctly + + elif tag == decide: + decision = decide.value + if decision == 'Yes': + is_plot=True # break out of the recursion crossfilter selection + else: + is_plot=False + +### can have an optional refresh button to reset the crossfilter. + +############## Header Content from description.html ################# +content_filename = join(dirname(__file__), "description.html") + +description = Div(text=open(content_filename).read(), + render_as_text=False, width=600) + + + +#### PERIODIC TABLE plot ############################### + +romans = ["I", "II", "III", "IV", "V", "VI", "VII"] + +elements["atomic mass"] = elements["atomic mass"].astype(str) + +elements["period"] = [romans[x-1] for x in elements.period] +elements = elements[elements.group != "-"] + +group_range = [str(x) for x in range(1, 19)] + +colormap = { + "alkali metal" : "#a6cee3", + "alkaline earth metal" : "#1f78b4", + "halogen" : "#fdbf6f", + "metal" : "#b2df8a", + "metalloid" : "#33a02c", + "noble gas" : "#bbbb88", + "nonmetal" : "#baa2a6", + "transition metal" : "#e08e79", +} + +source = ColumnDataSource( + data=dict( + group=[str(x) for x in elements["group"]], + period=[str(y) for y in elements["period"]], + symx=[str(x)+":0.1" for x in elements["group"]], + numbery=[str(x)+":0.8" for x in elements["period"]], + massy=[str(x)+":0.15" for x in elements["period"]], + namey=[str(x)+":0.3" for x in elements["period"]], + sym=elements["symbol"], + name=elements["name"], + cpk=elements["CPK"], + atomic_number=elements["atomic number"], + electronic=elements["electronic configuration"], + mass=elements["atomic mass"], + type=elements["metal"], + type_color=[colormap[x] for x in elements["metal"]], + ) +) + +ptable = figure(title="Periodic Table", tools="hover,save", + x_range=group_range, y_range=list(reversed(romans))) +ptable.plot_width = 1200 +ptable.toolbar_location = None +ptable.outline_line_color = None + +ptable.rect("group", "period", 0.9, 0.9, source=source, + fill_alpha=0.6, color="type_color") + +text_props = { + "source": source, + "angle": 0, + "color": "black", + "text_align": "left", + "text_baseline": "middle" +} + +ptable.text(x="symx", y="period", text="sym", + text_font_style="bold", text_font_size="15pt", **text_props) + +ptable.text(x="symx", y="numbery", text="atomic_number", + text_font_size="9pt", **text_props) + +ptable.text(x="symx", y="namey", text="name", + text_font_size="6pt", **text_props) + +ptable.text(x="symx", y="massy", text="mass", + text_font_size="5pt", **text_props) + +ptable.grid.grid_line_color = None + +ptable.select_one(HoverTool).tooltips = [ + ("name", "@name"), + ("atomic number", "@atomic_number"), + ("type", "@type"), + ("atomic mass", "@mass"), + ("electronic configuration", "@electronic"), +] + + +is_plot = True + + +######### CREATES CROSSFILTER ########################## + + +# decides what are the plottables + +# The crossfilter widgets -- add on feature - multiselection of data + + +# code based crossfilter +code = Select(title='Code', value='vasp', options=codes) +code.on_change('value', update_crossfilter(tag=code)) + + +# exchange based crossfilter +exchange = Select(title='exchange', value='PBE', options=exchanges +exchange.on_change('value', update_crossfilter(tag=exchange)) + +# element based crossfilter -- can be periodic table widget instead +element = Select(title='Element', value='Cu', options=elements) +element.on_change('value', update_crossfilter(tag=element)) + +# property based crossfilter +prop = Select(title='Property', value='E0', options=properties) +prop.on_change('value', update_crossfilter(tag=prop)) + + +# finish the crossfilter selection and go to plot -- can be a button widget also +decide = Select(title='Plot?', value='Yes', options =['Yes', 'No']) +decide.on_change('value', update_crossfilter(tag=decide)) + +if is_plot: + # The plotter widgets + + ## plot if is_plot is ready from the crossfiltering ## + + x = Select(title='X-Axis', value='k-point', options=plottables) + x.on_change('value', update) + + y = Select(title='Y-Axis', value='value', options=plottables) + y.on_change('value', update) + +# z = Select(title='Z-Axis', value='None', options=plottables) +# z.on_change('value', update) + + + + size = Select(title='Size', value='None', options=['None'] + quantileable) + size.on_change('value', update) + + color = Select(title='Color', value='None', options=['None'] + quantileable) + color.on_change('value', update) + +# final layout widgets first +controls = widgetbox([code, exchange, element, prop, x, y, color, size], width=200) +layout = column(description, ptable, controls, create_figure()) + +curdoc().add_root(layout) +curdoc().title = "DFT Benchmark" diff --git a/benchmark-view/crossfilter_app/main.py b/benchmark-view/crossfilter_app/main.py new file mode 100644 index 0000000..31de912 --- /dev/null +++ b/benchmark-view/crossfilter_app/main.py @@ -0,0 +1,405 @@ +from os.path import dirname, join + +import pandas as pd +import numpy as np + +from bokeh.layouts import row, widgetbox, column +from bokeh.models import Select, Div, Column, HoverTool, ColumnDataSource, Button +from bokeh.palettes import Spectral5 +from bokeh.plotting import curdoc, figure +from bokeh.sampledata.periodic_table import elements + +##### loading the data which the API needs to take care fo ###### +#from bokeh.sampledata.autompg import autompg + +#df = autompg.copy() +#print (df.columns) +SIZES = list(range(6, 22, 3)) +COLORS = Spectral5 + + +# data cleanup +#df.cyl = [str(x) for x in df.cyl] +#df.origin = [ORIGINS[x-1] for x in df.origin] + +#df['year'] = [str(x) for x in df.yr] +#del df['yr'] + +#df['mfr'] = [x.split()[0] for x in df.name] +#df.loc[df.mfr=='chevy', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='chevroelt', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='maxda', 'mfr'] = 'mazda' +#df.loc[df.mfr=='mercedes-benz', 'mfr'] = 'mercedes' +#df.loc[df.mfr=='toyouta', 'mfr'] = 'toyota' +#df.loc[df.mfr=='vokswagen', 'mfr'] = 'volkswagen' +#df.loc[df.mfr=='vw', 'mfr'] = 'volkswagen' +#del df['name'] + +df_obs = pd.read_csv('./crossfilter_app/Data/Data.csv') +print ('read df_obs') +# single reference standard this can be an on request +# basis input as well +#df_ref = pd.read_json('./Data/Ref.json') + +# dividing data into gneeral discretes, continuous and quantileables + +columns = sorted(df_obs.columns) #+ sorted(df.columns) +#print columns +#print ('Here', [(x, df_obs[x].dtype) for x in columns]) +#print ([(x,df[x].dtype) for x in sorted(df.columns)]) +discrete = [x for x in columns if df_obs[x].dtype == object] #+ [x for x in columns if df_obs[x].dtype == object] +#print ('and here', discrete) +continuous = [x for x in columns if x not in discrete] +#print continuous +#quantileable = [x for x in continuous if len(df[x].unique()) > 20] +#print quantileable +#################################################################### + +##divide data into plottables and non plottables (aggregates or 3D plottables) , +#keep it to 2D plottables for now, this is known from the column names themselves + +plottables = ['k-point', 'value', 'perc_precisions'] + +non_plottables = [ x for x in columns if x not in plottables ] # for aggregates + +structures = list(np.unique(df_obs['structure'])) +_elements = list(np.unique(df_obs['element'])) +print (_elements) +exchanges = list(np.unique(df_obs['exchange'])) +properties = list(np.unique(df_obs['property'])) +codes = list(np.unique(df_obs['code'])) + +# which sets of k-point and value to string together ? any unit transformations on the dataset values or k-point + +## have another dataframe (mongo collection) for the reference standards to compute the accuracy (uniquely identified by the element SAME standard should apply to all codes/exchanges/elements. + + + + +############## Header Content from description.html ################# +print (__file__) +content_filename = join(dirname(__file__), "description.html") + +description = Div(text=open(content_filename).read(), + render_as_text=True, width=600) + + + + +# periodic table +romans = ["I", "II", "III", "IV", "V", "VI", "VII"] + +elements["atomic mass"] = elements["atomic mass"].astype(str) + +elements["period"] = [romans[x-1] for x in elements.period] +elements = elements[elements.group != "-"] + +group_range = [str(x) for x in range(1, 19)] + +colormap = { + "alkali metal" : "#a6cee3", + "alkaline earth metal" : "#1f78b4", + "halogen" : "#fdbf6f", + "metal" : "#b2df8a", + "metalloid" : "#33a02c", + "noble gas" : "#bbbb88", + "nonmetal" : "#baa2a6", + "transition metal" : "#e08e79", +} + +source = ColumnDataSource( + data=dict( + group=[str(x) for x in elements["group"]], + period=[str(y) for y in elements["period"]], + symx=[str(x)+":0.1" for x in elements["group"]], + numbery=[str(x)+":0.8" for x in elements["period"]], + massy=[str(x)+":0.15" for x in elements["period"]], + namey=[str(x)+":0.3" for x in elements["period"]], + sym=elements["symbol"], + name=elements["name"], + cpk=elements["CPK"], + atomic_number=elements["atomic number"], + electronic=elements["electronic configuration"], + mass=elements["atomic mass"], + type=elements["metal"], + type_color=[colormap[x] for x in elements["metal"]], + ) +) +# plot the periodic layout +ptable = figure(title="Periodic Table", tools="hover,save", + x_range=group_range, y_range=list(reversed(romans))) +ptable.plot_width = 1200 +ptable.toolbar_location = None +ptable.outline_line_color = None + +ptable.rect("group", "period", 0.9, 0.9, source=source, + fill_alpha=0.6, color="type_color") + +text_props = { + "source": source, + "angle": 0, + "color": "black", + "text_align": "left", + "text_baseline": "middle" +} + +ptable.text(x="symx", y="period", text="sym", + text_font_style="bold", text_font_size="15pt", **text_props) + +ptable.text(x="symx", y="numbery", text="atomic_number", + text_font_size="9pt", **text_props) + +ptable.text(x="symx", y="namey", text="name", + text_font_size="6pt", **text_props) + +ptable.text(x="symx", y="massy", text="mass", + text_font_size="5pt", **text_props) + +ptable.grid.grid_line_color = None + +ptable.select_one(HoverTool).tooltips = [ + ("name", "@name"), + ("atomic number", "@atomic_number"), + ("type", "@type"), + ("atomic mass", "@mass"), + ("electronic configuration", "@electronic"), +] + +#print (help(ptable)) + +######### CREATES CROSSFILTER ########################## + + +# decide if all columns or crossfilter down to sub properties + +class CrossFiltDFs(): + + def __init__(self,struct_df=None,elem_df=None,prop_df=None): + self.struct_df = struct_df + self.elem_df = elem_df + self.prop_df = prop_df + + + def crossfilter_by_tag(self,df, tag): + """ + a crossfilter that can recursivly update the unique options + in the UI based on prioir selections + + returns crossfiltered by tag crossfilter {'element': 'Ag'} + """ + col,spec= list(tag.items())[0] + #col, spec = tag.items() + return df[df[col]==spec] + + + + def crossfilter_by_choices(struct_choice, elem_choice, prop_choice, code_choice,exchange_choice): + """ + crossfilter control based on UI choices. + crossfilters and returns the dataframe after crossfiltering + """ + # first selects the element + struct_df = df_obs[df_obs['structure']==struct_choice] + #print (struct_df) + print ('elem',elem_choice) + elem_struct_df = struct_df[struct_df['element']==elem_choice] + print (elem_struct_df) + prop_elem_struct_df = elem_struct_df[elem_struct_df['property']==prop_choice] + print(prop_elem_struct_df) + code_prop_elem_struct_df = \ + prop_elem_struct_df[prop_elem_struct_df['code']==code_choice] + print (code_prop_elem_struct_df) + exchange_code_prop_elem_struct_df =\ + code_prop_elem_struct_df[code_prop_elem_struct_df['exchange']==exchange_choice] + print ('this is the crossfilt being returned', exchange_code_prop_elem_struct_df) + return exchange_code_prop_elem_struct_df + + + + def create_figure(self,dataset): + + #crossfilt = crossfilter_by_choices(struct.value, element.value, prop.value,\ + # code.value, exchange.value) + #print ('This is the crossfilt coming in to create figure', crossfilt) + + xs =dataset[x.value].values +# print (type(sorted(set(xs)))) + # read the data from the df +# xs = df_obs[x.value].values + ys = dataset[y.value].values + x_title = x.value.title() + y_title = y.value.title() + + kw = dict() +# if x.value in continuous: +# kw['x_range'] = sorted(set(xs)) +# print (type(kw['x_range'])) +# if y.value in continuous: +# kw['y_range'] = sorted(set(ys)) +# print (type(kw['y_range'])) + kw['title'] = "%s vs %s" % (y_title, x_title) + if x.value=='k-point': + kw['x_axis_type'] = 'log' + if y.value == 'perc_precisions': + kw['y_axis_type'] = 'log' + + elif x.value == 'perc_precisions' and y.value == 'perc_precisions': + kw['x_axis_type'] = 'log' + kw['y_axis_type'] = 'log' + + p = figure(plot_height=600, plot_width=800, tools='pan,box_zoom,reset,hover', **kw) + p.xaxis.axis_label = x_title + + p.yaxis.axis_label = y_title + + + # sets the xaxis + if x.value in continuous: + p.xaxis.major_label_orientation = pd.np.pi / 4 + + if x.value == 'k-point': + xs = [k**3 for k in xs] + #sz = 9 + #if size.value != 'None': + # groups = pd.qcut(df[size.value].values, len(SIZES)) + # sz = [SIZES[xx] for xx in groups.codes] + + #c = "#31AADE" + #if color.value != 'None': + # groups = pd.qcut(df[color.value].values, len(COLORS)) + # c = [COLORS[xx] for xx in groups.codes] + p.scatter(x=xs, y=ys, line_color="white", alpha=1.0, hover_color='blue', hover_alpha=1.0) + + return p + +# The crossfilter widgets + def update(self, attr, old, new): + print ('Attribute', attr, 'OLD', old, 'NEW', new) + #print (len(layout.children)) + print ('executes here on update')#, exchange_df) + #print (prop_df) + #layout.children[3] = create_figure() + + +#def update_code(attr,old,new): +# print ('Updating code down selection for exchange') +# code_df = crossfilter_by_tag(prop_df, {'property':prop.value}) +# exchange_options = list(np.unique(code_df['exchange'])) +# exchange = Select(title='ExchangeCorrelation', value=exchange_options[0], options=exchange_options) +# exchange_df = crossfilter_by_tag(elem_df, {'property':prop.value}) +# exchange.on_change('value', update) + + +#def update_prop(attr,old,new): +# print ('Updating property down selection for code') +# prop_df = crossfilter_by_tag(elem_df, {'property':prop.value}) +# code_options = list(np.unique(prop_df['code'])) +# code = Select(title='Code', value=code_options[0], options=code_options) +# code.on_change('value', update) + + def update_element(self,attr,old,new): + print ('Updating element down selection for property') + #print (np.unique(struct_df['element'])) + self.elem_df = self.crossfilter_by_tag(self.struct_df, {'element':element.value}) + #print (elem_df) + #prop_options = list(np.unique(elem_df['property'])) + #prop = Select(title='Property', value=prop_options[0], options=prop_options) + #prop.on_change('value', update) + #prop_df = self.crossfilter_by_tag(self.elem_df, {'property':prop.value}) + +# controls = widgetbox([struct, element, prop, code, exchange, x, y], width=200) +# layout = column(description, ptable, controls, create_figure()) +# curdoc().add_root(layout) + + def update_struct(self,attr, old, new): + print ('Updating struct down selection for element') + self.struct_df = self.crossfilter_by_tag(df_obs, {'structure':struct.value}) + #elem_options = list(np.unique(struct_df['element'])) + #print (elem_options) + #element = Select(title='Element', value=elem_options[0], options=elem_options) + #element.on_change('value', update_element) + print ('finished callback to update layout') + + + def update_crossfilter(self): + new_data = dict() + new_data = self.prop_df + print (new_data) + layout.children[3] = self.create_figure(new_data) + + +def analysis_callback(): + + os.system('Rscript Pade.R') + print ('executed R script on crossfiltered data') + + +CF = CrossFiltDFs() +#struct_options = list(np.unique(df_obs['structure'])) +struct = Select(title='Structure', value=structures[0], options=structures) +struct.on_change('value', CF.update_struct) + + +#elem_options = list(np.unique(struct_df['element'])) +element = Select(title='Element', value=_elements[0], options=_elements) +element.on_change('value', CF.update_element) + + +#prop_options = list(np.unique(elem_df['property'])) +prop = Select(title='Property', value=properties[0], options=properties) +prop.on_change('value', CF.update) + + +#code_options = list(np.unique(prop_df['code'])) +#code = Select(title='Code', value=code_options[0], options=code_options) +#code.on_change('value', update_code) +#code_df = crossfilter_by_tag(prop_df, {'property':prop.value}) + +#exchange_options = list(np.unique(code_df['exchange'])) +#exchange = Select(title='ExchangeCorrelation', value=exchange_options[0], options=exchange_options) +#exchange.on_change('value', update) +#exchange_df = crossfilter_by_tag(elem_df, {'property':prop.value}) + +#prop = Select(title='Property', value='B', options=properties) +#prop.on_change('value', update) + + +apply_crossfilter = Button(label='CrossFilter') +apply_crossfilter.on_click(CF.update_crossfilter) + +# The plotter widgets + +x = Select(title='X-Axis', value='k-point', options=plottables) +x.on_change('value', CF.update) + +y = Select(title='Y-Axis', value='value', options=plottables) +y.on_change('value', CF.update) + +analyse_crossfilt = Button(label='PadeAnalysis') +analyse_crossfilt.on_click(analysis_callback) + + +struct_df = CF.crossfilter_by_tag(df_obs, {'structure':struct.value}) +elem_df = CF.crossfilter_by_tag(struct_df, {'element':element.value}) +prop_df = CF.crossfilter_by_tag(elem_df, {'property':prop.value}) + +CF_init = CrossFiltDFs(struct_df,elem_df,prop_df) + +print ('executed till here') + +#z = Select(title='Z-Axis', value='None', options=plottables) +#z.on_change('value', update) + + + +#size = Select(title='Size', value='None', options=['None'] ) +#size.on_change('value', update) + +#color = Select(title='Color', value='None', options=['None'] ) +#color.on_change('value', update) + +controls = widgetbox([struct, element, prop, apply_crossfilter, x, y, analyse_crossfilt], width=200) +layout = column(description, ptable, controls, CF_init.create_figure(CF_init.prop_df)) + +curdoc().add_root(layout) +curdoc().title = "DFT Benchmark" diff --git a/benchmark-view/crossfilter_app/not_working_main.py b/benchmark-view/crossfilter_app/not_working_main.py new file mode 100644 index 0000000..29b121d --- /dev/null +++ b/benchmark-view/crossfilter_app/not_working_main.py @@ -0,0 +1,281 @@ +from os.path import dirname, join + +import pandas as pd +import numpy as np +from collections import OrderedDict + +from bokeh.layouts import row, widgetbox, column +from bokeh.models import Select, Div, Column, HoverTool, ColumnDataSource, PanTool, ResetTool, BoxZoomTool +from bokeh.palettes import Spectral5 +from bokeh.plotting import curdoc, figure +from bokeh.sampledata.periodic_table import elements + +##### loading the data which the API needs to take care fo ###### +#from bokeh.sampledata.autompg import autompg + +#df = autompg.copy() +#print (df.columns) +SIZES = list(range(6, 22, 3)) +COLORS = Spectral5 + + + + +#df.origin = [ORIGINS[x-1] for x in df.origin] + +#df['year'] = [str(x) for x in df.yr] +#del df['yr'] + +#df['mfr'] = [x.split()[0] for x in df.name] +#df.loc[df.mfr=='chevy', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='chevroelt', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='maxda', 'mfr'] = 'mazda' +#df.loc[df.mfr=='mercedes-benz', 'mfr'] = 'mercedes' +#df.loc[df.mfr=='toyouta', 'mfr'] = 'toyota' +#df.loc[df.mfr=='vokswagen', 'mfr'] = 'volkswagen' +#df.loc[df.mfr=='vw', 'mfr'] = 'volkswagen' +#del df['name'] + +df_obs = pd.read_csv('./Data/Data.csv') + +# single reference standard this can be an on request +# basis input as well +#df_ref = pd.read_json('./Data/Ref.json') + +#df_obs.percent_accuracy = [ ( (x['value'] - df_ref[x['element']][x['property']]) / df_ref[x['element']][x['property']] ) * 100 +# for x in df_obs.iterrows() ] + +# df_pade_prec +#df_obs.percent_pade_prec = [ ( (x['value'] - df_pade_prec[x['element']][x['property'] ] ) / df_pade_prec[x['element']][x['property']]) * 100 for x in df_obs.iterrows()] + +# df_sigma_prec +#df_obs.percent_sigma_prec = [ ( (x['value'] - df_sigma_prec[x['element']][x['property'] ] ) / df_sigma_prec[x['element']][x['property']]) * 100 for x in df_obs.iterrows()] + +# dividing data into gneeral discretes, continuous and quantileables + +columns = sorted(df_obs.columns) #+ sorted(df.columns) +#print columns +print ([(x, df_obs[x].dtype) for x in columns]) +#print ([(x,df[x].dtype) for x in sorted(df.columns)]) +discrete = [x for x in columns if df_obs[x].dtype == object] #+ [x for x in columns if df_obs[x].dtype == object] +print (discrete) +continuous = [x for x in columns if x not in discrete] +#print continuous +#quantileable = [x for x in continuous if len(df[x].unique()) > 20] +#print quantileable +#################################################################### + +##divide data into plottables and non plottables (aggregates or 3D plottables) , +#keep it to 2D plottables for now, this is known from the column names themselves + +plottables = ['k-point', 'value', 'smearing'] + +non_plottables = [ x for x in columns if x not in plottables ] # for aggregates + +_elements = list(np.unique(df_obs['element'])) +exchanges = list(np.unique(df_obs['exchange'])) +properties = list(np.unique(df_obs['property'])) +codes = list(np.unique(df_obs['code'])) + +# which sets of k-point and value to string together ? any unit transformations on the dataset values or k-point + +## have another dataframe (mongo collection) for the reference standards to compute the accuracy (uniquely identified by the element SAME standard should apply to all codes/exchanges/elements. + +def create_figure(): + + + # original autpmpg test + + xs =df_obs[x.value].values +# print (type(sorted(set(xs)))) + # read the data from the df +# xs = df_obs[x.value].values + ys = df_obs[y.value].values + x_title = x.value.title() + y_title = y.value.title() + + df_select2d = pd.DataFrame({x.value:xs, y.value:ys}) +# print (df_select2d) + kw = dict() +# if x.value in continuous: +# kw['x_range'] = sorted(set(xs)) +# print (type(kw['x_range'])) +# if y.value in continuous: +# kw['y_range'] = sorted(set(ys)) +# print (type(kw['y_range'])) + kw['title'] = "%s vs %s" % (x_title, y_title) + + source = ColumnDataSource(ColumnDataSource.from_df(df_select2d)) +# print (source.columns) + hover = HoverTool() + pan = PanTool() + bzoom = BoxZoomTool() +# hover.tooltips = OrderedDict([('k-point', '$k-point'),('value', '$value')]) +# hover = HoverTool(tooltips=[("(x, $x)", "(y, $y)")]) + + p = figure(plot_height=600, plot_width=800, tools=[hover, pan, bzoom], **kw) + p.xaxis.axis_label = x_title + + p.yaxis.axis_label = y_title + + hover = p.select(dict(type=HoverTool)) + hover.tooltips = OrderedDict([('k-point', '$k-point'),('value', '$value')]) + + # sets the xaxis + if x.value in continuous: + p.xaxis.major_label_orientation = pd.np.pi / 4 + + + sz = 9 + if size.value != 'None': + groups = pd.qcut(df[size.value].values, len(SIZES)) + sz = [SIZES[xx] for xx in groups.codes] + + c = "#31AADE" + if color.value != 'None': + groups = pd.qcut(df[color.value].values, len(COLORS)) + c = [COLORS[xx] for xx in groups.codes] + p.circle(x='k-point', y='value', source=source)#, color=c, size=sz, line_color="white", alpha=1.0, hover_color='blue')#, hover_alpha=1.0) + + return p + + +def update(attr, old, new): + layout.children[1] = create_figure() + + +############## Header Content from description.html ################# +content_filename = join(dirname(__file__), "description.html") + +description = Div(text=open(content_filename).read(), + render_as_text=False, width=600) + + + + + +romans = ["I", "II", "III", "IV", "V", "VI", "VII"] + +elements["atomic mass"] = elements["atomic mass"].astype(str) + +elements["period"] = [romans[x-1] for x in elements.period] +elements = elements[elements.group != "-"] + +group_range = [str(x) for x in range(1, 19)] + +colormap = { + "alkali metal" : "#a6cee3", + "alkaline earth metal" : "#1f78b4", + "halogen" : "#fdbf6f", + "metal" : "#b2df8a", + "metalloid" : "#33a02c", + "noble gas" : "#bbbb88", + "nonmetal" : "#baa2a6", + "transition metal" : "#e08e79", +} + +source = ColumnDataSource( + data=dict( + group=[str(x) for x in elements["group"]], + period=[str(y) for y in elements["period"]], + symx=[str(x)+":0.1" for x in elements["group"]], + numbery=[str(x)+":0.8" for x in elements["period"]], + massy=[str(x)+":0.15" for x in elements["period"]], + namey=[str(x)+":0.3" for x in elements["period"]], + sym=elements["symbol"], + name=elements["name"], + cpk=elements["CPK"], + atomic_number=elements["atomic number"], + electronic=elements["electronic configuration"], + mass=elements["atomic mass"], + type=elements["metal"], + type_color=[colormap[x] for x in elements["metal"]], + ) +) + +ptable = figure(title="Periodic Table", tools="hover,save", + x_range=group_range, y_range=list(reversed(romans))) +ptable.plot_width = 1200 +ptable.toolbar_location = None +ptable.outline_line_color = None + +ptable.rect("group", "period", 0.9, 0.9, source=source, + fill_alpha=0.6, color="type_color") + +text_props = { + "source": source, + "angle": 0, + "color": "black", + "text_align": "left", + "text_baseline": "middle" +} + +ptable.text(x="symx", y="period", text="sym", + text_font_style="bold", text_font_size="15pt", **text_props) + +ptable.text(x="symx", y="numbery", text="atomic_number", + text_font_size="9pt", **text_props) + +ptable.text(x="symx", y="namey", text="name", + text_font_size="6pt", **text_props) + +ptable.text(x="symx", y="massy", text="mass", + text_font_size="5pt", **text_props) + +ptable.grid.grid_line_color = None + +ptable.select_one(HoverTool).tooltips = [ + ("name", "@name"), + ("atomic number", "@atomic_number"), + ("type", "@type"), + ("atomic mass", "@mass"), + ("electronic configuration", "@electronic"), +] + + + +######### CREATES CROSSFILTER ########################## + + +# decide if all columns or crossfilter down to sub properties + +# The crossfilter widgets + +# first select code this crossfilters the available options to +# available exchanges and elements +code = Select(title='Code', value='vasp', options=codes) +code.on_change('value', update) + + +# second select exchange + +element = Select(title='Element', value='Cu', options=_elements) +element.on_change('value', update) + +exchange = Select() + + +# The plotter widgets + +x = Select(title='X-Axis', value='k-point', options=plottables) +x.on_change('value', update) + +y = Select(title='Y-Axis', value='value', options=plottables) +y.on_change('value', update) + +z = Select(title='Z-Axis', value='None', options=plottables) +z.on_change('value', update) + + + +size = Select(title='Size', value='None', options=['None'] ) +size.on_change('value', update) + +color = Select(title='Color', value='None', options=['None'] ) +color.on_change('value', update) + +controls = widgetbox([x, y, color, size], width=200) +layout = column(description, ptable, controls, create_figure()) + +curdoc().add_root(layout) +curdoc().title = "DFT Benchmark" diff --git a/benchmark-view/crossfilter_app/old_main.py b/benchmark-view/crossfilter_app/old_main.py new file mode 100644 index 0000000..f42223b --- /dev/null +++ b/benchmark-view/crossfilter_app/old_main.py @@ -0,0 +1,291 @@ +# main.py that controls the whole app +# to run: just run bokeh serve --show crossfilter_app in the benchmark-view repo + +from random import random +import os + +from bokeh.layouts import column +from bokeh.models import Button +from bokeh.models.widgets import Select, MultiSelect, Slider +from bokeh.palettes import RdYlBu3 +from bokeh.plotting import figure, curdoc + + +#### CROSSFILTER PART ##### >>> Module load errors throwing up how to do a relative import ? +from crossview.crossfilter.models import CrossFilter +#from benchmark.loader import load + +#### DATA INPUT FROM REST API ###### +#from benchmark.loader import load + +#### DATA INPUT STRAIGHT FROM PANDAS for test purposes #### +import pandas as pd + +##### PLOTTING PART -- GLOBAL FIGURE CREATION ######## +# create a plot and style its properties + +## gloabl data interface to come from REST API +vasp_data = pd.read_csv('../benchmark/data/francesca_data_head.csv') + +p = figure(x_range=(0, 100), y_range=(0, 100), toolbar_location='below') +#p.border_fill_color = 'black' +#p.background_fill_color = 'black' +p.outline_line_color = None +p.grid.grid_line_color = None + + +#### FORMAT OF DATA SENT TO WIDGET ####### + +# add a text renderer to out plot (no data yet) +r = p.text(x=[], y=[], text=[], text_color=[], text_font_size="20pt", + text_baseline="middle", text_align="center") + +r2 = p.circle(x=[], y=[]) + +i = 0 + +ds = r.data_source + +ds2 = r2.data_source + +##### WIDGET RESPONSES IN THE FORM OF CALLBACKS ###### + +# create a callback that will add a number in a random location +def callback(): + global i + + + # BEST PRACTICE --- update .data in one step with a new dict + new_data = dict() + new_data['x'] = ds.data['x'] + [random()*70 + 15] + new_data['y'] = ds.data['y'] + [random()*70 + 15] + new_data['text_color'] = ds.data['text_color'] + [RdYlBu3[i%3]] + new_data['text'] = ds.data['text'] + [str(i)] + ds.data = new_data + + i = i + 1 + + +#### The make crossfilter callback + +#### make data loading as easy as possible for now straight from +#### the benchmark data csv file not from the API with the decorators + +#### TO DO after we see that the crossfilter and new bokeh play nicely +##########: integrate with API and uncomment the decorators and data loader +#@bokeh_app.route("/bokeh/benchmark/") +#@object_page("benchmark") + +#### RENDERERS OF WIDGETS ##### + +def make_bokeh_crossfilter(axis='k-point'): + """The root crossfilter controller""" + # Loading the dft data head as a + # pandas dataframe + new_data = dict() +# new_data = load("./benchmark/data/francesca_data_head") + # use a straight pandas dataframe for now instead and follow the + # BEST PRACTICE described above basically clean up the data object on each callback. + # data that will be given back on the callback + new_data = vasp_data # our data that will be replaced by the API + global p + p = CrossFilter.create(df=new_data) + print (type(p)) + # dont know what Crossfilter class really returns in terms of data but for testnig purposes lets + # return something that is compatible with the new_data dictionary return in the + # vanilla example through the global object ds.data + # for example the x - y coordinates on the plots correspond to mins on the data set in k-point and value fields +# new_data['x'] = ds2.data['x'] + list(data[axis]) +# new_data['y'] = ds2.data['y'] + list(data['value']) + # other stuff default as in vanilla callback() + # for test purposes to see actually what coordinate is getting plotted + # it is always going to be the same duh beccause only one min exist in the dataset + # its at x = 6, y = -12 , + # SUCESS learnt how to create a custom callback !!! that loads a CSV file and does something with it +# print ("New data from crossfilter", new_data) + # finally assign to ds.data +# ds2.data = new_data + + + + + +def make_wflow_crossfilter(tags={'element_widget':['Cu', 'Pd', 'Mo'], 'code_widget':['VASP'], 'ExchCorr':['PBE']}): + """ + demo crossfilter based on pure pandas dataframes that serves a data processing + workflow that selects inputs from widgets + + args: + tags: dict of selections by upto 3 widgets + + returns: + dictionary of crossfiltered dataframes that can further be processed down the workflow + """ + + ## Actual widget controlled inputs ## + + # elements = tags['element'] + # exchanges = tags['ExchCorr'] + # propys = tags['code_widget'] + + ## Demo user inputs for testing selects everything in the test csv : max data load ## + + elements = np.unique(vasp_data['element']) + exchanges = np.unique(vasp_data['exchange']) + propys = ['B','dB','a0'] + + + # final dictionary of crossfiltered dataframes + crossfilts = {} + # crossfiltering part - playing the role of the "Crossfilter class in bokeh.models" + + for pr in propys: + for el in elements: + for ex in exchanges: + # crossfilter down to exchange and element + elems = vasp_data[vasp_data['element']==el] + exchs = elems[elems['exchange']==ex] + # separate into properties, energy, kpoints + p = exchs[exchs['property']==pr] + e = exchs[exchs['property']=='e0'] + + ##### *** Accuracy calculation based on default standards *** ##### + # choose reference from dict + ref_e = expt_ref_prb[el][pr] + ref_w = wien_ref[el][pr] + # calculate percent errors on property - ACCURACY CALCULATION based on default standards + props = [v for v in p['value'] ] + percs_wien = [ (v - ref_w) / ref_w * 100 for v in p['value']] + percs_prb = [ (v - ref_e) / ref_e * 100 for v in p['value']] + kpts = [ k for k in p['k-point']] + kpts_atom = [ k**3 for k in p['k-point'] ] + ##### *** Accuracy calculation based on default standards *** ##### + + ##### *** Calculate prec_sigma of energy *** ##### + energy = [ v for v in e['value']] + end= len(energy) - 1 + prec_sigma = [ v - energy[end] for v in energy] + + # make data frame of kpoints, energy, percent errors on property + if kpts and energy and props: + NAME = '_'.join([el,ex,pr]) + Rdata =\ + pd.DataFrame({'Kpoints_size':kpts, 'Kpoints_atom_density':kpts_atom, 'Energy':energy, 'Prec_Sigma':prec_sigma , pr:props, 'percent_error_wien':percs_wien, 'percent_error_expt':percs_prb }) + crossfilts[NAME] = Rdata + + + +def calculate_prec(cross_df, automate= False): + """ + function that calculates the prec_inf using R + and returns a fully contructed plottable dataframe + + Args: + cross_df: pandas dataframe containing the data + automate: bool, a To do feature to automatically calculate the best fit + + Returns: + dataframe contining the R added precision values to be + received most always by the plotting commander. + """ + import rpy2.robjects as ro + from rpy2.robjects import pandas2ri + from rpy2.robjects.packages import importr + import rpy2.robjects.numpy2ri + import rpy2.rinterface as rin + + + stats = importr('stats') + base = importr('base') + # activate R environemnt in python + rpy2.robjects.numpy2ri.activate() + pandas2ri.activate() + # read in necessary elements ofmenu = [("Item 1", "item_1_value"), ("Item 2", "item_2_value"), ("Item 3", "item_3_value")] + df = pd.DataFrame({'x': cross_df['Kpoints_atom_density'], + 'y': cross_df['Energy']}) + ro.globalenv['dataframe']=df + + ### *** R used to obtain the fit on the data to calculate prec_inf *** ### + # perform regression - bokeh widgets can be used here to provide the inputs to the nls regression + + # some python to R translation of object names via the pandas - R dataframes + y = df['y'] + x = df['x'] + l = len(y) - 1 # needed because R indexes list from 1 to len(list) + + # ***WIDGET inputs*** # OR AUTOMATE + # the slider inputs on starting point or can be automated also + l1 = 3 + l2 = 0 + fitover = rin.SexpVector(list(range(l1,l-l2)), rin.INTSXP) + + # numeric entry widget for 'b' is plausible for user to choose best starting guess + start_guess = {'a': y[l], 'b': 5} + start=pandas2ri.py2ri(pd.DataFrame(start_guess,index=start_guess)) + + # drop down list selection of model + model = 'y~a*x/(b+x)' + + # Minimize function with weights and selection + m = \ + stats.nls(model, start = start, algorithm = "port", subset = fitover, weights = x^2, data=base.as_symbol('dataframe')) + + # Estimation of goodness of fit + g = stats.cor(y[l1:l-l2],stats.predict(m)) + + # Report summary of fit, values and error bars + print( base.summary(m).rx2('coefficients') ) + + # Extrapolation value is given by a + a = stats.coef(m)[1] + + # Calculation of precision + prec = abs(y-a) + + # test print outs of the data ? how to render onto html like Shiny if necesary ? + + print("We learn that the converged value is: {0} and best precision achieved in the measurement is {1}".format(a, min(abs(prec)))) + + cross_df['Energy_Prec_Inf'] = prec + + # close the R environments + rpy2.robjects.numpy2ri.deactivate() + pandas2ri.deactivate() + + return (cross_df) + +def make_widgets(): + """ + main function that will control the rendering of UI widgets + + """ + pass + + +#### WIDGET CREATIONS #### + +# OLD VANILLA +# add a button widget and configure with the call back +# button_basic = Button(label="Press Me") +# button_basic.on_click(callback) +#make_bokeh_crossfilter() + + +# create a button for Select button for input + +#menu = [("Bulk Modulus", "B"), ("B'", "dB"), ("Lattice Constant", "a0")] +#select_property = Select(name="Selection", options=menu, value="B") +#select_property.on_click(make_bokeh_crossfilter(axis=value)) + + +# create a button for make crossfilter app + +button_crossfilter = Button(label="Make Crossfilter") +button_crossfilter.on_click(make_bokeh_crossfilter) + +#create a button for crossfilter_workflwo +button_w_crossfilter = Button(label="Make Crossfilter Workflow") +button_w_crossfilter.on_click(make_wflow_crossfilter) + +# put the button and plot in a layout and add to the document +curdoc().add_root(column(button_crossfilter, button_w_crossfilter, p)) diff --git a/benchmark-view/crossfilter_app/templates/index.html b/benchmark-view/crossfilter_app/templates/index.html new file mode 100644 index 0000000..c874e99 --- /dev/null +++ b/benchmark-view/crossfilter_app/templates/index.html @@ -0,0 +1,24 @@ + + + + + + Bokeh Crossfilter Example + {{ bokeh_css }} + {{ bokeh_js }} + + + {{ plot_div|indent(8) }} + {{ plot_script|indent(8) }} + + + diff --git a/benchmark-view/crossfilter_app/theme.yaml b/benchmark-view/crossfilter_app/theme.yaml new file mode 100644 index 0000000..e908fa9 --- /dev/null +++ b/benchmark-view/crossfilter_app/theme.yaml @@ -0,0 +1,19 @@ +attrs: + Figure: + background_fill_color: '#2F2F2F' + border_fill_color: '#2F2F2F' + outline_line_color: '#444444' + Axis: + axis_line_color: "white" + axis_label_text_color: "white" + major_label_text_color: "white" + major_tick_line_color: "white" + minor_tick_line_color: "white" + minor_tick_line_color: "white" + Grid: + grid_line_dash: [6, 4] + grid_line_alpha: .3 + Title: + text_color: "white" + Hover: + text_color: "black" diff --git a/benchmark-view/crossfilter_app/working_main.py b/benchmark-view/crossfilter_app/working_main.py new file mode 100644 index 0000000..9201c98 --- /dev/null +++ b/benchmark-view/crossfilter_app/working_main.py @@ -0,0 +1,259 @@ +from os.path import dirname, join + +import pandas as pd +import numpy as np + +from bokeh.layouts import row, widgetbox, column +from bokeh.models import Select, Div, Column, HoverTool, ColumnDataSource +from bokeh.palettes import Spectral5 +from bokeh.plotting import curdoc, figure +from bokeh.sampledata.periodic_table import elements + +##### loading the data which the API needs to take care fo ###### +#from bokeh.sampledata.autompg import autompg + +#df = autompg.copy() +#print (df.columns) +SIZES = list(range(6, 22, 3)) +COLORS = Spectral5 + + +# data cleanup +#df.cyl = [str(x) for x in df.cyl] +#df.origin = [ORIGINS[x-1] for x in df.origin] + +#df['year'] = [str(x) for x in df.yr] +#del df['yr'] + +#df['mfr'] = [x.split()[0] for x in df.name] +#df.loc[df.mfr=='chevy', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='chevroelt', 'mfr'] = 'chevrolet' +#df.loc[df.mfr=='maxda', 'mfr'] = 'mazda' +#df.loc[df.mfr=='mercedes-benz', 'mfr'] = 'mercedes' +#df.loc[df.mfr=='toyouta', 'mfr'] = 'toyota' +#df.loc[df.mfr=='vokswagen', 'mfr'] = 'volkswagen' +#df.loc[df.mfr=='vw', 'mfr'] = 'volkswagen' +#del df['name'] + +df_obs = pd.read_csv('./Data/Data.csv') + +# single reference standard this can be an on request +# basis input as well +#df_ref = pd.read_json('./Data/Ref.json') + +# dividing data into gneeral discretes, continuous and quantileables + +columns = sorted(df_obs.columns) #+ sorted(df.columns) +#print columns +print ([(x, df_obs[x].dtype) for x in columns]) +#print ([(x,df[x].dtype) for x in sorted(df.columns)]) +discrete = [x for x in columns if df_obs[x].dtype == object] #+ [x for x in columns if df_obs[x].dtype == object] +print (discrete) +continuous = [x for x in columns if x not in discrete] +#print continuous +#quantileable = [x for x in continuous if len(df[x].unique()) > 20] +#print quantileable +#################################################################### + +##divide data into plottables and non plottables (aggregates or 3D plottables) , +#keep it to 2D plottables for now, this is known from the column names themselves + +plottables = ['k-point', 'value', 'smearing'] + +non_plottables = [ x for x in columns if x not in plottables ] # for aggregates + +_elements = list(np.unique(df_obs['element'])) +exchanges = list(np.unique(df_obs['exchange'])) +properties = list(np.unique(df_obs['property'])) +codes = list(np.unique(df_obs['code'])) + +# which sets of k-point and value to string together ? any unit transformations on the dataset values or k-point + +## have another dataframe (mongo collection) for the reference standards to compute the accuracy (uniquely identified by the element SAME standard should apply to all codes/exchanges/elements. + +def create_figure(): + + + # original autpmpg test + + xs =df_obs[x.value].values +# print (type(sorted(set(xs)))) + # read the data from the df +# xs = df_obs[x.value].values + ys = df_obs[y.value].values + x_title = x.value.title() + y_title = y.value.title() + + kw = dict() +# if x.value in continuous: +# kw['x_range'] = sorted(set(xs)) +# print (type(kw['x_range'])) +# if y.value in continuous: +# kw['y_range'] = sorted(set(ys)) +# print (type(kw['y_range'])) + kw['title'] = "%s vs %s" % (x_title, y_title) + + p = figure(plot_height=600, plot_width=800, tools='pan,box_zoom,reset,hover', **kw) + p.xaxis.axis_label = x_title + + p.yaxis.axis_label = y_title + + + # sets the xaxis + if x.value in continuous: + p.xaxis.major_label_orientation = pd.np.pi / 4 + + + sz = 9 + if size.value != 'None': + groups = pd.qcut(df[size.value].values, len(SIZES)) + sz = [SIZES[xx] for xx in groups.codes] + + c = "#31AADE" + if color.value != 'None': + groups = pd.qcut(df[color.value].values, len(COLORS)) + c = [COLORS[xx] for xx in groups.codes] + p.circle(x=xs, y=ys, color=c, size=sz, line_color="white", alpha=1.0, hover_color='blue', hover_alpha=1.0) + + return p + + +def update(attr, old, new): + layout.children[1] = create_figure() + + +############## Header Content from description.html ################# +content_filename = join(dirname(__file__), "description.html") + +description = Div(text=open(content_filename).read(), + render_as_text=False, width=600) + + + + + +romans = ["I", "II", "III", "IV", "V", "VI", "VII"] + +elements["atomic mass"] = elements["atomic mass"].astype(str) + +elements["period"] = [romans[x-1] for x in elements.period] +elements = elements[elements.group != "-"] + +group_range = [str(x) for x in range(1, 19)] + +colormap = { + "alkali metal" : "#a6cee3", + "alkaline earth metal" : "#1f78b4", + "halogen" : "#fdbf6f", + "metal" : "#b2df8a", + "metalloid" : "#33a02c", + "noble gas" : "#bbbb88", + "nonmetal" : "#baa2a6", + "transition metal" : "#e08e79", +} + +source = ColumnDataSource( + data=dict( + group=[str(x) for x in elements["group"]], + period=[str(y) for y in elements["period"]], + symx=[str(x)+":0.1" for x in elements["group"]], + numbery=[str(x)+":0.8" for x in elements["period"]], + massy=[str(x)+":0.15" for x in elements["period"]], + namey=[str(x)+":0.3" for x in elements["period"]], + sym=elements["symbol"], + name=elements["name"], + cpk=elements["CPK"], + atomic_number=elements["atomic number"], + electronic=elements["electronic configuration"], + mass=elements["atomic mass"], + type=elements["metal"], + type_color=[colormap[x] for x in elements["metal"]], + ) +) + +ptable = figure(title="Periodic Table", tools="hover,save", + x_range=group_range, y_range=list(reversed(romans))) +ptable.plot_width = 1200 +ptable.toolbar_location = None +ptable.outline_line_color = None + +ptable.rect("group", "period", 0.9, 0.9, source=source, + fill_alpha=0.6, color="type_color") + +text_props = { + "source": source, + "angle": 0, + "color": "black", + "text_align": "left", + "text_baseline": "middle" +} + +ptable.text(x="symx", y="period", text="sym", + text_font_style="bold", text_font_size="15pt", **text_props) + +ptable.text(x="symx", y="numbery", text="atomic_number", + text_font_size="9pt", **text_props) + +ptable.text(x="symx", y="namey", text="name", + text_font_size="6pt", **text_props) + +ptable.text(x="symx", y="massy", text="mass", + text_font_size="5pt", **text_props) + +ptable.grid.grid_line_color = None + +ptable.select_one(HoverTool).tooltips = [ + ("name", "@name"), + ("atomic number", "@atomic_number"), + ("type", "@type"), + ("atomic mass", "@mass"), + ("electronic configuration", "@electronic"), +] + + + +######### CREATES CROSSFILTER ########################## + + +# decide if all columns or crossfilter down to sub properties + +# The crossfilter widgets + +# first select code this crossfilters the available options to +# available exchanges and elements +code = Select(title='Code', value='vasp', options=codes) +code.on_change('value', update) + + +# second select exchange + +element = Select(title='Element', value='Cu', options=_elements) +element.on_change('value', update) + +exchange = Select() + + +# The plotter widgets + +x = Select(title='X-Axis', value='k-point', options=plottables) +x.on_change('value', update) + +y = Select(title='Y-Axis', value='value', options=plottables) +y.on_change('value', update) + +z = Select(title='Z-Axis', value='None', options=plottables) +z.on_change('value', update) + + + +size = Select(title='Size', value='None', options=['None'] ) +size.on_change('value', update) + +color = Select(title='Color', value='None', options=['None'] ) +color.on_change('value', update) + +controls = widgetbox([x, y, color, size], width=200) +layout = column(description, ptable, controls, create_figure()) + +curdoc().add_root(layout) +curdoc().title = "DFT Benchmark" diff --git a/benchmark-view/crossview/crossfilter/models.py b/benchmark-view/crossview/crossfilter/models.py index 164eec5..b96eeea 100644 --- a/benchmark-view/crossview/crossfilter/models.py +++ b/benchmark-view/crossview/crossfilter/models.py @@ -142,7 +142,7 @@ class CrossFilter(PlotObject): agg_selector = Instance(Select) def __init__(self, *args, **kwargs): - print "__init__" + # print ("__init__") """Creates original and filtered ColumnDataSource and handles defaults. The df and starting configuration are only provided the first time @@ -177,13 +177,13 @@ def __init__(self, *args, **kwargs): super(CrossFilter, self).__init__(**kwargs) def query(self, endpoint): - print "query" - import httplib + # # print ("query") + import http.client import json import traceback import requests - conn = httplib.HTTPConnection('0.0.0.0', 7000) + conn = http.client.HTTPConnection('0.0.0.0', 7000) conn.request("GET", endpoint) response = conn.getresponse() data = response.read() @@ -192,12 +192,12 @@ def query(self, endpoint): data_json = json.loads(data) return data_json['content'] except: - print traceback.print_exc() + # # print (traceback.print_exc()) return None @classmethod def create(cls, **kwargs): - print "create" + # print ("create") """Performs all one-time construction of bokeh objects. This classmethod is required due to the way that bokeh handles the @@ -222,7 +222,7 @@ def create(cls, **kwargs): return obj def set_input_selector(self): - print "set_input_selector" + # print ("set_input_selector") """Creates and configures each selector (drop-down menu).""" col_names = [x['name'] for x in self.columns] col_names.append('None') @@ -253,7 +253,7 @@ def set_input_selector(self): ) def update_plot_choices(self, input_dict): - print "update_plot_choices" + # print ("update_plot_choices") """Sets object attributes corresponding to input_dict's values. Args: @@ -265,12 +265,12 @@ def update_plot_choices(self, input_dict): setattr(self, k, v) def get_plot_class(self): - print "get_plot_class" + # print ("get_plot_class") """Return the class for the current plot selection.""" return self.plot_map[self.plot_type] def column_descriptor_dict(self): - print "column_descriptor_dict" + # print ("column_descriptor_dict") """Creates column stats dict with keys of column names. Returns: @@ -284,7 +284,7 @@ def column_descriptor_dict(self): @property def continuous_columns(self): - print "continuous_columns" + # print ("continuous_columns") """Returns list of column descriptors for the non-Discrete columns. Returns: @@ -295,7 +295,7 @@ def continuous_columns(self): @property def discrete_columns(self): - print "discrete_columns" + # print ("discrete_columns") """Returns list of column descriptors for the Discrete columns. Returns: @@ -305,7 +305,7 @@ def discrete_columns(self): return [x for x in self.columns if x['type'] == 'DiscreteColumn'] def make_plot_choices(self): - print "make_plot_choices" + # print ("make_plot_choices") """Selects first two continuous columns for x,y during initial setup Returns: @@ -321,7 +321,7 @@ def make_plot_choices(self): return {'x': x, 'y': y, 'plot_type': 'scatter'} def set_plot(self): - print "set_plot" + # print ("set_plot") """Makes and sets the plot based on the current configuration of app.""" self.update_xy_ranges(source=self.df) plot = self.make_plot() @@ -329,7 +329,7 @@ def set_plot(self): curdoc()._add_all() def make_plot(self): - print "make_plot" + # print ("make_plot") """Makes the correct plot layout type, based on app's current config. Returns: @@ -348,7 +348,7 @@ def make_plot(self): return self.create_plot_page() def create_plot_page(self, tab_facet=None): - print "create_plot_page" + # print ("create_plot_page") """Generates a single visible page of a plot or plots. Args: @@ -379,7 +379,7 @@ def create_plot_page(self, tab_facet=None): @staticmethod def make_tab(content, tab_label): - print "make_tab" + # print ("make_tab") """Creates a container for the contents of a tab. Args: @@ -393,7 +393,7 @@ def make_tab(content, tab_label): return Panel(child=content, title=tab_label) def make_facets(self, dimension): - print "make_facets" + # print ("make_facets") """Creates combination of all facets for the provided dimension Args: @@ -442,7 +442,7 @@ def make_facets(self, dimension): @staticmethod def facet_title(facets): - print "facet_title" + # print ("facet_title") """Joins list of facets by commas. Args: @@ -457,7 +457,7 @@ def facet_title(facets): return title def facet_data(self, facets, df=None): - print "facet_data" + # print ("facet_data") """Filters data to the rows associated with the given facet. Args: @@ -476,7 +476,7 @@ def facet_data(self, facets, df=None): return df def make_1d_facet_plot(self, facet=None): - print "make_1d_facet_plot" + # print ("make_1d_facet_plot") """Creates the faceted plots when a facet is added to the x axis. Returns: @@ -526,7 +526,7 @@ def make_1d_facet_plot(self, facet=None): return GridPlot(children=grid_plots, plot_width=200*chunk_size) def make_2d_facet_plot(self, facet=None): - print "make_2d_facet_plot" + # print ("make_2d_facet_plot") """Creates the grid of plots when there are both x and y facets. Returns: @@ -578,7 +578,7 @@ def make_2d_facet_plot(self, facet=None): @staticmethod def apply_facet_style(plot): - print "apply_facet_style" + # print ("apply_facet_style") """Applies facet-specific style for a given plot. Override this method to modify the look of a customized CrossFilter @@ -590,7 +590,7 @@ def apply_facet_style(plot): plot.min_border = 0 def apply_single_plot_style(self, plot): - print "apply_single_plot_style" + # print ("apply_single_plot_style") """Applies styles when we have only one plot. Override this method to modify the look of a customized CrossFilter @@ -600,7 +600,7 @@ def apply_single_plot_style(self, plot): plot.min_border_left = 60 def apply_grid_style(self, grid_plot): - print "apply_grid_style" + # print ("apply_grid_style") """Applies facet-specific style for the grid of faceted plots. Override this method to modify the look of a customized CrossFilter @@ -614,7 +614,7 @@ def apply_grid_style(self, grid_plot): @staticmethod def hide_internal_axes(grid_plots): - print "hide_internal_axes" + # print ("hide_internal_axes") """Hides the internal axes for a grid of plots. Args: @@ -640,7 +640,7 @@ def make_single_plot(self, df=None, title=None, tools="pan,wheel_zoom,box_zoom,save,resize," "box_select,reset", facet=None): - print "make_single_plot" + # print ("make_single_plot") """Creates a plot based on the current app configuration. Args: @@ -701,7 +701,7 @@ def make_single_plot(self, df=None, title=None, return plot def update_xy_ranges(self, source): - print "update_xy_ranges" + # print ("update_xy_ranges") """Updates common x_range, y_range to use for creating figures. Args: @@ -716,7 +716,7 @@ def update_xy_ranges(self, source): self.y_range = y_range def plot_attribute_change(self, obj, attrname, old, new): - print "plot_attribute_change" + # print ("plot_attribute_change") """Updates app's attribute and plot when view configuration changes. Args: @@ -730,7 +730,7 @@ def plot_attribute_change(self, obj, attrname, old, new): self.set_plot() def facet_change(self, obj, attrname, old, new): - print "facet_change" + # print ("facet_change") """Updates plot when any facet configuration changes. Args: @@ -744,7 +744,7 @@ def facet_change(self, obj, attrname, old, new): @property def df(self): - print "df" + # print ("df") """The core data that is used by the app for plotting. Returns: @@ -759,7 +759,7 @@ def df(self): @property def filtered_df(self): - print "filtered_df" + # print ("filtered_df") """The subset of the data to use for plotting. Returns: @@ -773,7 +773,7 @@ def filtered_df(self): return self.filtered_data.to_df() def update(self, **kwargs): - print "update" + # print ("update") """Updates CrossFilter attributes each time the model changes. The events are setup each time so that we can add event handlers to @@ -784,7 +784,7 @@ def update(self, **kwargs): self.setup_events() def setup_events(self): - print "setup_events" + # print ("setup_events") """Registers events each time the app changes state.""" # watch the app's filtering_columns attribute to setup filters @@ -815,7 +815,7 @@ def setup_events(self): self.on_change('facet_tab', self, 'facet_change') def handle_filter_selection(self, obj, attrname, old, new): - print "handle_filter_selection" + # print ("handle_filter_selection") """Filters the data source whenever a filter widget changes. Args: @@ -870,7 +870,7 @@ def handle_filter_selection(self, obj, attrname, old, new): self.set_plot() def clear_selections(self, obj, attrname, old, new): - print "clear_selections" + # print ("clear_selections") """Updates filter widgets and sources as they are removed. Args: @@ -896,7 +896,7 @@ def clear_selections(self, obj, attrname, old, new): self.handle_filter_selection(obj, attrname, old, new) def setup_filter_widgets(self, obj, attrname, old, new): - print "setup_filter_widgets" + # print ("setup_filter_widgets") """Creates new filter widget each time a new column is added to filters. Args: @@ -941,7 +941,7 @@ def setup_filter_widgets(self, obj, attrname, old, new): curdoc()._add_all() def set_metadata(self): - print "set_metadata" + # print ("set_metadata") """Creates a list of dicts, containing summary info for each column. The descriptions are stored in the ``columns`` property. diff --git a/benchmark-view/myapp.py b/benchmark-view/myapp.py new file mode 100644 index 0000000..26c7a38 --- /dev/null +++ b/benchmark-view/myapp.py @@ -0,0 +1,44 @@ +# myapp.py + +from random import random + +from bokeh.layouts import column +from bokeh.models import Button +from bokeh.palettes import RdYlBu3 +from bokeh.plotting import figure, curdoc + +# create a plot and style its properties +p = figure(x_range=(0, 100), y_range=(0, 100), toolbar_location=None) +p.border_fill_color = 'black' +p.background_fill_color = 'black' +p.outline_line_color = None +p.grid.grid_line_color = None + +# add a text renderer to out plot (no data yet) +r = p.text(x=[], y=[], text=[], text_color=[], text_font_size="20pt", + text_baseline="middle", text_align="center") + +i = 0 + +ds = r.data_source + +# create a callback that will add a number in a random location +def callback(): + global i + + # BEST PRACTICE --- update .data in one step with a new dict + new_data = dict() + new_data['x'] = ds.data['x'] + [random()*70 + 15] + new_data['y'] = ds.data['y'] + [random()*70 + 15] + new_data['text_color'] = ds.data['text_color'] + [RdYlBu3[i%3]] + new_data['text'] = ds.data['text'] + [str(i)] + ds.data = new_data + + i = i + 1 + +# add a button widget and configure with the call back +button = Button(label="Press Me") +button.on_click(callback) + +# put the button and plot in a layout and add to the document +curdoc().add_root(column(button, p)) diff --git a/benchmark-view/refs.py b/benchmark-view/refs.py new file mode 100644 index 0000000..e7b5c41 --- /dev/null +++ b/benchmark-view/refs.py @@ -0,0 +1,160 @@ +# data file for refs that can be migrated into a plain json, first of merges +# of development from the developmental notebook + +# from periodic table.com the first google hit for all comparitive data +expt_ref= {'Ag':{'a0':4.0853 , + 'B':100 , + 'dB':5.87, + 'elec': 11 }, + 'Cu':{'a0':3.6149 , + 'B':140 , + 'dB':4.5, + 'elec':11}, + 'Au':{'a0':4.0782 , + 'B':220 , + 'dB':5.90, + 'elec':11}, + 'Al':{'a0':4.0495 , + 'B':76 , + 'dB':4.72, + 'elec': 3}, + 'Ta':{'a0':3.3013 , + 'B':200 , + 'dB':3.8, + 'elec':5}, + 'W':{'a0':3.1652, + 'B':310, + 'dB':4.5, + 'elec':6}, + 'Mo':{'a0':3.147, + 'B':230, + 'dB':4.7, + 'elec':6}, + 'Nb':{'a0':3.304 , + 'B':170 , + 'dB':4.1, + 'elec':11} + } + +# experimental refs from PRB 29(6) 1984 +expt_ref_prb = { + 'Ag':{'a0':4.0853 , + 'B':108.7 , + 'dB':5.87, + 'elec': 11 }, + 'Cu':{'a0':3.6149 , + 'B':142.0 , + 'dB':4.5, + 'elec':11}, + 'Au':{'a0':4.0782 , + 'B':180.3 , + 'dB':5.90, + 'elec':11}, + 'Al':{'a0':4.0495 , + 'B':79.4 , + 'dB':4.72, + 'elec': 3}, + 'Ta':{'a0':3.3013 , + 'B':194.2 , + 'dB':3.8, + 'elec':5}, + 'W':{'a0':3.1652, + 'B':314.2, + 'dB':4.5, + 'elec':6}, + 'Mo':{'a0':3.147, + 'B':265.3, + 'dB':4.7, + 'elec':6}, + 'Nb':{'a0':3.304, + 'B':173.0, + 'dB':4.1, + 'elec':11}, + 'Pd':{'a0':3.304, + 'B':195.5, + 'dB':5.91, + 'elec':10}, + 'Pt':{'a0':3.976, + 'B':288.4, + 'dB':5.96, + 'elec':10}, + + } + +# references from Lejaeghere et. al. latest Accurate Wien2K +wien_ref= {'Ag':{'a0':4.0853, + 'B':90.148, + 'dB':5.420, + 'elec': 11 }, + 'Cu':{'a0':3.6149, + 'B':141.121, + 'dB':4.845, + 'elec':11}, + 'Au':{'a0':4.0782, + 'B':139.109, + 'dB':5.757, + 'elec':11}, + 'Al':{'a0':4.0495, + 'B':78.077, + 'dB':4.72, + 'elec': 3}, + 'Ta':{'a0':3.3013, + 'B':195.147, + 'dB':3.714, + 'elec':5}, + 'W':{'a0':3.1652, + 'B':301.622, + 'dB':4.279, + 'elec':6}, + 'Mo':{'a0':3.147, + 'B':258.928, + 'dB':4.332, + 'elec':6}, + 'Nb':{'a0':3.304 , + 'B':171.270 , + 'dB':3.548, + 'elec':11}, + 'Pt':{'a0':3.304 , + 'B':248.711 , + 'dB':5.465, + 'elec':10}, + 'Pd':{'a0':3.304 , + 'B':168.629 , + 'dB':5.562, + 'elec':10} + } + +# references from VASP latest in Lejaeghere et. al. +vasp_ref= {'Ag':{'a0':4.0853 , + 'B':91.103 , + 'dB':5.782, + 'elec': 11 }, + 'Cu':{'a0':3.6149, + 'B':141.246, + 'dB':4.665, + 'elec':11}, + 'Au':{'a0':4.0782, + 'B':139.248, + 'dB':5.893, + 'elec':11}, + 'Al':{'a0':4.0495, + 'B':77.705, + 'dB':4.639, + 'elec': 3}, + 'Ta':{'a0':3.3013 , + 'B':194.813, + 'dB':3.835, + 'elec':5}, + 'W':{'a0':3.1652, + 'B':304.961, + 'dB':4.169, + 'elec':6}, + 'Mo':{'a0':3.147, + 'B':259.889, + 'dB':4.7, + 'elec':6}, + 'Nb':{'a0':3.304 , + 'B':169.124 , + 'dB':4.1, + 'elec':11} + }